Compile Data Set for Download or QSAR
Report error Found 647 Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2A6'
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50024210(1H-indole-3-ethanamine | CHEMBL6640 | 2-(3-indolyl...)
Affinity DataKd:  2.30E+3nMAssay Description:Binding affinity to CYP2A6 (unknown origin) assessed as type 2 interaction as increase in absorbance 431 to 432 nm and decrease in 406 to 412 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50041234(9-methoxy-7H-furo[3,2-g]chromen-7-one | CHEMBL416 ...)
Affinity DataKd:  1.10E+4nMAssay Description:Binding affinity to CYP2A6 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50101991(CHEBI:6750 | CHEMBL3526658)
Affinity DataKd:  4.50E+3nMAssay Description:Binding affinity to CYP2A6 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50240850(phenethylisothiocyanate | Phenethyl isothiocyanate...)
Affinity DataKd:  6.20E+3nMAssay Description:Binding affinity to CYP2A6 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50101990(CHEMBL3188333)
Affinity DataKd:  680nMAssay Description:Binding affinity to CYP2A6 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50008072((3S-cis)-3-ethyldihydro-4-[(1-methyl-1H-imidazol-5...)
Affinity DataKd:  3.60E+3nMAssay Description:Binding affinity to CYP2A6 (unknown origin) assessed as type 2 interaction as increase in absorbance 431 to 432 nm and decrease in 406 to 412 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50240772((1R,2S)-2-phenylcyclopropanamine | cid_2723716 | (...)
Affinity DataKd:  2.00E+3nMAssay Description:Binding affinity to CYP2A6 (unknown origin) assessed as type 2 interaction as increase in absorbance 431 to 432 nm and decrease in 406 to 412 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Affinity DataKd:  4.70E+5nMAssay Description:Binding affinity to CYP2A6 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM109750(US8609708, 19 β-Nicotyrine | US8609708, 19 be...)
Affinity DataKd:  7.10E+4nMAssay Description:Binding affinity to CYP2A6 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50366426(CHEMBL4161819)
Affinity DataIC50: 17nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM109760(US8609708, 44)
Affinity DataIC50: 20nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2014
Entry Details
Go to US Patent

TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50613945(CHEMBL5289073)
Affinity DataIC50: 40nMAssay Description:Inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50366379(CHEMBL4165249)
Affinity DataIC50: 42nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50358746(CHEMBL596015)
Affinity DataIC50: 50nMAssay Description:Inhibition of CYP2A6 in human liver microsomes assessed as inhibition of coumarin 7-hydroxylation after 30 mins preincubation by plate readerMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2012
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50037779(CHEMBL3358215)
Affinity DataIC50: 50nMAssay Description:Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate incubated for 30 mins prior to substrate addition...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50613946(CHEMBL450963 | 5-Allyloxycoumarin)
Affinity DataIC50: 50nMAssay Description:Inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50366334(CHEMBL4173133)
Affinity DataIC50: 51nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50366391(CHEMBL4173088)
Affinity DataIC50: 55nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50366411(CHEMBL4160749)
Affinity DataIC50: 76nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50113851(Tranylcypromine,(+) | TRANYLCYPROMINE | US8609708,...)
Affinity DataIC50: 80nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2014
Entry Details
Go to US Patent

TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50342656(benzo[b]thiophen-2-ylmethanamine | CHEMBL1770735)
Affinity DataIC50: 100nMAssay Description:Inhibition of CYP2A6 in human liver microsomes assessed as inhibition of coumarin 7-hydroxylation after 10 mins by plate readerMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2012
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50342656(benzo[b]thiophen-2-ylmethanamine | CHEMBL1770735)
Affinity DataIC50: 100nMAssay Description:Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50366407(CHEMBL4169324)
Affinity DataIC50: 110nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50366398(CHEMBL4164113)
Affinity DataIC50: 130nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50613944(CHEMBL502746)
Affinity DataIC50: 130nMAssay Description:Inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50366401(CHEMBL4169721)
Affinity DataIC50: 140nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50188097(1-(4-Chlorobenzyl)-1H-imidazole | CHEMBL441367)
Affinity DataIC50: 160nMpH: 7.5Assay Description:To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2015
Entry Details
Go to US Patent

TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM12341(US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...)
Affinity DataIC50: 160nMpH: 7.5Assay Description:To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2015
Entry Details
Go to US Patent

TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM12348(US8609708, 3 | 3-(pyridin-3-yl)prop-2-yn-1-amine |...)
Affinity DataIC50: 160nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50366399(CHEMBL4168669)
Affinity DataIC50: 160nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM12341(US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...)
Affinity DataIC50: 170nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50613947(CHEMBL448936)
Affinity DataIC50: 170nMAssay Description:Inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM12341(US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...)
Affinity DataIC50: 172nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2014
Entry Details
Go to US Patent

TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM12351(US8609708, 4 | CHEMBL179669 | 3-(3-methylthiophen-...)
Affinity DataIC50: 200nMpH: 7.5Assay Description:To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2015
Entry Details
Go to US Patent

TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM12345(US8609708, 2 | [5-(pyridin-3-yl)furan-2-yl]methana...)
Affinity DataIC50: 200nMpH: 7.5Assay Description:To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2015
Entry Details
Go to US Patent

TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50358752(CHEMBL1922273)
Affinity DataIC50: 200nMAssay Description:Inhibition of CYP2A6 in human liver microsomes assessed as inhibition of coumarin 7-hydroxylation after 30 mins preincubation by plate readerMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2012
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50613943(CHEMBL496547 | 6-Methoxycoumarin)
Affinity DataIC50: 200nMAssay Description:Inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50366393(CHEMBL4176100)
Affinity DataIC50: 220nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM12345(US8609708, 2 | [5-(pyridin-3-yl)furan-2-yl]methana...)
Affinity DataIC50: 268nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2014
Entry Details
Go to US Patent

TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM12345(US8609708, 2 | [5-(pyridin-3-yl)furan-2-yl]methana...)
Affinity DataIC50: 270nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50366435(CHEMBL4161400)
Affinity DataIC50: 290nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50037778(CHEMBL3358192)
Affinity DataIC50: 300nMAssay Description:Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50366408(CHEMBL4176506)
Affinity DataIC50: 300nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM109753(US8609708, 38 | US8609708, 29)
Affinity DataIC50: 330nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2014
Entry Details
Go to US Patent

TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50366414(CHEMBL4172017)
Affinity DataIC50: 330nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM109748(CHEMBL179477 | US8609708, 22 | US8609708, 8)
Affinity DataIC50: 360nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2014
Entry Details
Go to US Patent

TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM109754(US8609708, 32)
Affinity DataIC50: 360nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2014
Entry Details
Go to US Patent

TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50366335(CHEMBL4165895)
Affinity DataIC50: 380nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50366392(CHEMBL4172417)
Affinity DataIC50: 390nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50037774(CHEMBL3358194)
Affinity DataIC50: 400nMAssay Description:Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2016
Entry Details Article
PubMed
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