Compile Data Set for Download or QSAR
Report error Found 154 Enz. Inhib. hit(s) with all data for entry = 50041901
TargetCytochrome P450 1A2(Rat)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50027793(CHEMBL3215311)
Affinity DataKi:  4nMAssay Description:Mechanism based inhibition of rat cytochrome P450 CYP1A2 measured by 7-methoxyresorufin O-demethylation (MROD)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 1A1(Rat)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50027779(4-Ethynyl Pyrene | CHEMBL1908231)
Affinity DataKi:  10nMAssay Description:Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 1A1(Rat)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50214612(2-(1-propynyl)phenanthrene | CHEMBL253346)
Affinity DataKi:  10nMAssay Description:Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50418082(CHEMBL1743360)
Affinity DataKi:  13nMAssay Description:Mechanism based inhibition of human cytochrome P450 1A2 measured by 7-methoxyresorufin O-demethylation (MROD)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 1A1(Rat)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50027778(1-Ethynyl Pyrene | CHEMBL1908230)
Affinity DataKi:  20nMAssay Description:Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Rat)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50214612(2-(1-propynyl)phenanthrene | CHEMBL253346)
Affinity DataKi:  30nMAssay Description:Mechanism based inhibition of rat cytochrome P450 CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Rat)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50027784(9-Ethynyl Phenanthrene | CHEMBL1908227)
Affinity DataKi:  30nMAssay Description:Mechanism based inhibition of rat cytochrome P450 CYP1A2 measured by 7-methoxyresorufin O-demethylation (MROD)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50259874((-)-dihydroclusin | CHEMBL469916)
Affinity DataKi:  54nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by (14C)formaldehyde production from (N-methyl-14C)-erythromycinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B1(Rat)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50027783(2-Ethynyl Naphtalene | CHEMBL1743361)
Affinity DataKi:  80nMAssay Description:Mechanism based inhibition of rat cytochrome P450 CYP2B1 measured by 7-ethoxycoumarin O-deethylase activityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50259867((-)-clusin | CHEMBL479701)
Affinity DataKi:  82nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by (14C)formaldehyde production from (N-methyl-14C)-erythromycinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 1A1(Rat)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50027782(3-Ethynyl Phenanthrene | CHEMBL1908226)
Affinity DataKi:  90nMAssay Description:Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 1A1(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50247221(5-(3,4-dimethoxystyryl)benzene-1,3-diol | CHEMBL47...)
Affinity DataKi:  90nMAssay Description:Mechanism based inhibition of human cytochrome P450 1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM520(ABT-538 | Norvir | CHEMBL163 | 1,3-thiazol-5-ylmet...)
Affinity DataKi:  100nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A5(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM520(ABT-538 | Norvir | CHEMBL163 | 1,3-thiazol-5-ylmet...)
Affinity DataKi:  120nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A5More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50418094(CHEMBL1743357)
Affinity DataKi:  130nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by nifedipine oxidation, omeprazole 3-hydroxylation and omeprazole sulfoxydationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B1(Rat)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50027784(9-Ethynyl Phenanthrene | CHEMBL1908227)
Affinity DataKi:  140nMAssay Description:Mechanism based inhibition of rat cytochrome P450 CYP2B1 measured by 7-pentoxyresorufin O-deethylation activity (PROD)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50241937(dihydrocubebin | (-)-dihydrocubebin | CHEMBL486597)
Affinity DataKi:  142nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by (14C)formaldehyde production from (N-methyl-14C)-erythromycinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM519(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
Affinity DataKi:  170nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50241524((-)-deoxypodorhizone | (-)-yatein | CHEMBL471067)
Affinity DataKi:  177nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by (14C)formaldehyde production from (N-methyl-14C)-erythromycinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | Ticlopidine)
Affinity DataKi:  200nMAssay Description:Mechanism based inhibition of human cytochrome P450 2B6 measured by bupropion hydroxylation using human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM20607((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)
Affinity DataKi:  200nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A5(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM577(VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...)
Affinity DataKi:  200nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A5 measured by testosterone hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 1A1(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50418082(CHEMBL1743360)
Affinity DataKi:  220nMAssay Description:Mechanism based inhibition of human cytochrome P450 1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50418095(CHEMBL1743352)
Affinity DataKi:  240nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 1A1(Rat)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50027785(2-Ethynyl Phenanthrene | CHEMBL1908225)
Affinity DataKi:  250nMAssay Description:Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50418096(CHEMBL1743364)
Affinity DataKi:  250nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM577(VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...)
Affinity DataKi:  260nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 1A1(Rat)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50027776(4-Ethynyl Biphenyl | 4-Ethynyl-Biphenyl | CHEMBL37...)
Affinity DataKi:  270nMAssay Description:Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 1A1(Rat)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50027793(CHEMBL3215311)
Affinity DataKi:  300nMAssay Description:Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50418093(CHEMBL1743356)
Affinity DataKi:  310nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by nifedipine oxidation, omeprazole 3-hydroxylation and omeprazole sulfoxydationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B11(Dog)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50027786(CHEMBL1908236)
Affinity DataKi:  350nMAssay Description:Mechanism based inhibition of dog cytochrome P450 CYP2B11 measured by Diazepam N1-demethylation using recombinant enzymeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50218812((3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro...)
Affinity DataKi:  373nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by (14C)formaldehyde production from (N-methyl-14C)-erythromycinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50418091(CHEMBL404875)
Affinity DataKi:  399nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by N-demethylation of erythromycinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM578((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...)
Affinity DataKi:  410nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM578((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...)
Affinity DataKi:  410nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B11(Dog)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50027786(CHEMBL1908236)
Affinity DataKi:  460nMAssay Description:Mechanism based inhibition of dog cytochrome P450 CYP2B11 measured by Diazepam N1-demethylation using liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50061306(CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...)
Affinity DataKi:  480nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM517(Crixivan | CHEMBL115 | L-735, 524 | MK639 | Indina...)
Affinity DataKi:  480nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50004704(Acetic acid 5-(2-dimethylamino-ethyl)-2-(4-methoxy...)
Affinity DataKi:  500nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50397662(CLOPIDOGREL)
Affinity DataKi:  500nMAssay Description:Mechanism based inhibition of human cytochrome P450 2B6 using human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 1A1(Rat)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50027792(CHEMBL1908223)
Affinity DataKi:  540nMAssay Description:Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A5(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50061306(CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...)
Affinity DataKi:  570nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A5 measured by testosterone hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50331544(7H-furo[3,2-g]chromen-7-one | Furo[3,2-g]chromen-7...)
Affinity DataKi:  600nMAssay Description:Mechanism based inhibition of human cytochrome P450 2A6 measured by coumarin 7-hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50041234(9-methoxy-7H-furo[3,2-g]chromen-7-one | CHEMBL416 ...)
Affinity DataKi:  800nMAssay Description:Mechanism based inhibition of human cytochrome P450 2A6 measured by coumarin 7-hydroxylation using a recombinant systemMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2B1(Rat)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50003140(CHEMBL541325 | Methyl-(1-methyl-hexyl)-prop-2-ynyl...)
Affinity DataKi:  800nMAssay Description:Mechanism based inhibition of rat cytochrome P450 CYP2B1 measured by 7-pentoxyresorufin O-deethylation activity (PROD)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | Ticlopidine)
Affinity DataKi:  800nMAssay Description:Mechanism based inhibition of human cytochrome P450 2B6 measured by bupropion hydroxylation using recombinant CYP2B6More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50187243(ethinyloestradiol | 17alpha-ethynylestra-1,3,5(10)...)
Affinity DataKi:  800nMAssay Description:Mechanism based inhibition of human cytochrome P450 2B6 measured by 7-EFC O-deethylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50418084(MENTHOFURAN)
Affinity DataKi:  840nMAssay Description:Mechanism based inhibition of human cytochrome P450 2A6 measured by coumarin 7-hxdroxylation using purified P450More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Rat)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50027776(4-Ethynyl Biphenyl | 4-Ethynyl-Biphenyl | CHEMBL37...)
Affinity DataKi:  870nMAssay Description:Mechanism based inhibition of rat cytochrome P450 CYP1A2 measured by 7-methoxyresorufin O-demethylation (MROD)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50187243(ethinyloestradiol | 17alpha-ethynylestra-1,3,5(10)...)
Affinity DataKi:  900nMAssay Description:Mechanism based inhibition of human cytochrome P450 2B6 measured by 7-EFC O-deethylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
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