BDBM50527963 CHEMBL4557940

SMILES OC(=O)CCCCCCCNn1nnc2ccccc12

InChI Key InChIKey=XRQULSHHDALTQA-UHFFFAOYSA-N

Data  1 KI  28 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50527963   

TargetCytochrome P450 4F8(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 4.60E+4nMAssay Description:Inhibition of CYP4F8 (unknown origin) in human HepG2 cell membranes transduced with lentiviral vector using Luc-BE as substrate preincubated with NAD...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 5.50E+4nMAssay Description:Inhibition of CYP1A2 in human pooled liver microsomes using phenacetin as substrate preincubated with NADPH for 30 mins followed by substrate additio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 4F8(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 9.10E+4nMAssay Description:Inhibition of CYP4F8 (unknown origin) in human HepG2 cell membranes transduced with lentiviral vector using Luc-BE as substrate after 10 mins in pres...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 2.46E+5nMAssay Description:Inhibition of CYP2C19 in human pooled liver microsomes using (S)-mephenytoin as substrate preincubated with NADPH for 30 mins followed by substrate a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4/3A5(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 1.28E+5nMAssay Description:Inhibition of CYP3A4/5 in human pooled liver microsomes using midazolam as substrate preincubated with NADPH for 30 mins followed by substrate additi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 3.43E+5nMAssay Description:Inhibition of CYP2C9 in human pooled liver microsomes using tolbutamide as substrate after 10 mins by UPLC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 7.59E+5nMAssay Description:Inhibition of CYP2C19 in human pooled liver microsomes using (S)-mephenytoin as substrate after 10 mins by UPLC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 2.57E+5nMAssay Description:Inhibition of CYP2B6 in human pooled liver microsomes using bupropion as substrate after 10 mins by UPLC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 4F3(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 1.87E+5nMAssay Description:Inhibition of recombinant human CYP4F3B expressed in baculovirus infected insect cells using Luc-4F2/3 as substrate after 10 mins in presence of NADP...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 4A11(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 2.82E+5nMAssay Description:Inhibition of recombinant human CYP4A11 expressed in baculovirus infected insect cells using Luc-4A as substrate after 10 mins in presence of NADPH b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 4F2(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 2.12E+5nMAssay Description:Inhibition of recombinant human CYP4F2 expressed in baculovirus infected insect cells using Luc-4F2/3 as substrate after 10 mins in presence of NADPH...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 4F3(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 2.13E+5nMAssay Description:Inhibition of recombinant human CYP4F3B expressed in baculovirus infected insect cells using Luc-4F2/3 as substrate preincubated with NADPH for 30 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 4A11(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 1.79E+5nMAssay Description:Inhibition of recombinant human CYP4A11 expressed in baculovirus infected insect cells using Luc-4A as substrate preincubated with NADPH for 30 mins ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4/3A5(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 2.44E+5nMAssay Description:Inhibition of CYP3A4/5 in human pooled liver microsomes using midazolam as substrate after 10 mins by UPLC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 6.14E+5nMAssay Description:Inhibition of CYP1A2 in human pooled liver microsomes using phenacetin as substrate after 10 mins by UPLC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 4F3(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 4.47E+5nMAssay Description:Inhibition of recombinant human CYP4F3A expressed in baculovirus infected insect cells using Luc-4F2/3 as substrate preincubated with NADPH for 30 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 4F12(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 1.67E+5nMAssay Description:Inhibition of recombinant human CYP4F12 expressed in baculovirus infected insect cells using Luc-BE as substrate after 10 mins in presence of NADPH b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 4F12(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 5.70E+4nMAssay Description:Inhibition of recombinant human CYP4F12 expressed in baculovirus infected insect cells using Luc-BE as substrate preincubated with NADPH for 30 mins ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 4F2(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 2.21E+5nMAssay Description:Inhibition of recombinant human CYP4F2 expressed in baculovirus infected insect cells using Luc-4F2/3 as substrate preincubated with NADPH for 30 min...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 4F3(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 2.64E+5nMAssay Description:Inhibition of recombinant human CYP4F3A expressed in baculovirus infected insect cells using Luc-4F2/3 as substrate after 10 mins in presence of NADP...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 4Z1(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 200nMAssay Description:Inhibition of CYP4Z1 (unknown origin) in human HepG2 cell membranes transduced with lentiviral vector using luciferin-benzyl ether as substrate prein...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 4Z1(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 5.90E+3nMAssay Description:Inhibition of CYP4Z1 (unknown origin) in human HepG2 cell membranes transduced with lentiviral vector using luciferin-benzyl ether as substrate incub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 2.99E+5nMAssay Description:Inhibition of CYP2D6 in human pooled liver microsomes using dextromethorphan as substrate preincubated with NADPH for 30 mins followed by substrate a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 3.30E+5nMAssay Description:Inhibition of CYP2C9 in human pooled liver microsomes using tolbutamide as substrate preincubated with NADPH for 30 mins followed by substrate additi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 8.40E+4nMAssay Description:Inhibition of CYP2C8 in human pooled liver microsomes using amodiaquine as substrate preincubated with NADPH for 30 mins followed by substrate additi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 6.20E+4nMAssay Description:Inhibition of CYP2B6 in human pooled liver microsomes using bupropion as substrate preincubated with NADPH for 30 mins followed by substrate addition...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 8.26E+5nMAssay Description:Inhibition of CYP2D6 in human pooled liver microsomes using dextromethorphan as substrate after 10 mins by UPLC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50: 3.06E+5nMAssay Description:Inhibition of CYP2C8 in human pooled liver microsomes using amodiaquine as substrate after 10 mins by UPLC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 4Z1(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataKi:  2.20E+3nMAssay Description:Inhibition of CYP4Z1 (unknown origin) in human HepG2 cell membranes transduced with lentiviral vector using luciferin-benzyl ether as substrate prein...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed