Found 98 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50273814
(6-Isoquinolin-4-yl-1-methyl-3,4-dihydroquinolin-2(...)Show InChI InChI=1S/C19H16N2O/c1-21-18-8-6-13(10-14(18)7-9-19(21)22)17-12-20-11-15-4-2-3-5-16(15)17/h2-6,8,10-12H,7,9H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50273813
(6-Isoquinolin-4-yl-3,4-dihydroquinolin-2(1H)-one |...)Show InChI InChI=1S/C18H14N2O/c21-18-8-6-13-9-12(5-7-17(13)20-18)16-11-19-10-14-3-1-2-4-15(14)16/h1-5,7,9-11H,6,8H2,(H,20,21) | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50273781
(6-(5-methoxypyridin-3-yl)-1-methyl-3,4-dihydroquin...)Show InChI InChI=1S/C16H16N2O2/c1-18-15-5-3-11(7-12(15)4-6-16(18)19)13-8-14(20-2)10-17-9-13/h3,5,7-10H,4,6H2,1-2H3 | PDB
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM8611
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2 | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50273700
(6-Pyridin-3-yl-3,4-dihydronaphthalene-2-carbonitri...)Show InChI InChI=1S/C16H12N2/c17-10-12-3-4-14-9-15(6-5-13(14)8-12)16-2-1-7-18-11-16/h1-2,5-9,11H,3-4H2 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50273705
(6-(5-Methoxypyridin-3-yl)-3,4-dihydronaphthalen-2(...)Show InChI InChI=1S/C16H15NO2/c1-19-16-8-14(9-17-10-16)12-2-3-13-7-15(18)5-4-11(13)6-12/h2-3,6,8-10H,4-5,7H2,1H3 | PDB
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| Article
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50273776
(1-Methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2(1H)-...)Show InChI InChI=1S/C15H14N2O/c1-17-14-6-4-11(13-3-2-8-16-10-13)9-12(14)5-7-15(17)18/h2-4,6,8-10H,5,7H2,1H3 | PDB
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| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50273780
(6-(5-Methoxypyridin-3-yl)-3,4-dihydroquinolin-2(1H...)Show InChI InChI=1S/C15H14N2O2/c1-19-13-7-12(8-16-9-13)10-2-4-14-11(6-10)3-5-15(18)17-14/h2,4,6-9H,3,5H2,1H3,(H,17,18) | PDB
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| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50273815
(6-Pyridin-3-yl-3,4-dihydroquinoline-2(1H)-thione |...)Show InChI InChI=1S/C14H12N2S/c17-14-6-4-11-8-10(3-5-13(11)16-14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2,(H,16,17) | PDB
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| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50273677
(3-(6-Methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyr...)Show InChI InChI=1S/C16H17NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-5,8-9,11,16H,6-7,10H2,1H3 | PDB
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| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50273778
(8-Chloro-6-pyridin-3-yl-3,4-dihydroquinolin-2(1H)-...)Show InChI InChI=1S/C14H11ClN2O/c15-12-7-11(10-2-1-5-16-8-10)6-9-3-4-13(18)17-14(9)12/h1-2,5-8H,3-4H2,(H,17,18) | PDB
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| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50273816
(8-Chloro-6-pyridin-3-yl-3,4-dihydroquinoline-2(1H)...)Show InChI InChI=1S/C14H11ClN2S/c15-12-7-11(10-2-1-5-16-8-10)6-9-3-4-13(18)17-14(9)12/h1-2,5-8H,3-4H2,(H,17,18) | PDB
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| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50273704
(5-Pyridin-3-yl-2,3-dihydro-1H-inden-1-one | CHEMBL...)Show InChI InChI=1S/C14H11NO/c16-14-6-4-11-8-10(3-5-13(11)14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2 | PDB
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| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50273679
(6-Pyridin-3-yl-1,2,3,4-tetrahydronaphthalene-2-car...)Show InChI InChI=1S/C16H14N2/c17-10-12-3-4-14-9-15(6-5-13(14)8-12)16-2-1-7-18-11-16/h1-2,5-7,9,11-12H,3-4,8H2 | PDB
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| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50273814
(6-Isoquinolin-4-yl-1-methyl-3,4-dihydroquinolin-2(...)Show InChI InChI=1S/C19H16N2O/c1-21-18-8-6-13(10-14(18)7-9-19(21)22)17-12-20-11-15-4-2-3-5-16(15)17/h2-6,8,10-12H,7,9H2,1H3 | PDB
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PC sid
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| Article
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| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50273703
(6-Pyridin-3-yl-3,4-dihydronaphthalen-2(1H)-one | C...)Show InChI InChI=1S/C15H13NO/c17-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-16-10-14/h1-4,7-8,10H,5-6,9H2 | PDB
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| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM8611
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2 | PDB
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Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50273817
(7-Pyridin-3-yl-2H-1,4-benzothiazin-3(4H)-one | CHE...)Show InChI InChI=1S/C13H10N2OS/c16-13-8-17-12-6-9(3-4-11(12)15-13)10-2-1-5-14-7-10/h1-7H,8H2,(H,15,16) | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50273706
(5-Pyridin-3-yl-1,3-dihydro-2H-indol-2-one | CHEMBL...)Show InChI InChI=1S/C13H10N2O/c16-13-7-11-6-9(3-4-12(11)15-13)10-2-1-5-14-8-10/h1-6,8H,7H2,(H,15,16) | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50273777
(1-Ethyl-6-pyridin-3-yl-3,4-dihydroquinolin-2(1H)-o...)Show InChI InChI=1S/C16H16N2O/c1-2-18-15-7-5-12(14-4-3-9-17-11-14)10-13(15)6-8-16(18)19/h3-5,7,9-11H,2,6,8H2,1H3 | PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50000306
(6-Pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one | 6-P...)Show InChI InChI=1S/C14H12N2O/c17-14-6-4-11-8-10(3-5-13(11)16-14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2,(H,16,17) | PDB
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50273675
(3-(5,6,7,8-Tetrahydronaphthalen-2-yl)pyridine | CH...)Show InChI InChI=1S/C15H15N/c1-2-5-13-10-14(8-7-12(13)4-1)15-6-3-9-16-11-15/h3,6-11H,1-2,4-5H2 | PDB
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50273678
(3-(6-Ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyri...)Show InChI InChI=1S/C17H19NO/c1-2-19-17-8-7-13-10-14(5-6-15(13)11-17)16-4-3-9-18-12-16/h3-6,9-10,12,17H,2,7-8,11H2,1H3 | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM8611
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2 | PDB
MMDB
Reactome pathway
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PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placental CYP19 |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50273813
(6-Isoquinolin-4-yl-3,4-dihydroquinolin-2(1H)-one |...)Show InChI InChI=1S/C18H14N2O/c21-18-8-6-13-9-12(5-7-17(13)20-18)16-11-19-10-14-3-1-2-4-15(14)16/h1-5,7,9-11H,6,8H2,(H,20,21) | PDB
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| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50273676
(6-Pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-ol |...)Show InChI InChI=1S/C15H15NO/c17-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-16-10-14/h1-4,7-8,10,15,17H,5-6,9H2 | PDB
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UniChem
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PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50273779
(8-Nitro-6-pyridin-3-yl-3,4-dihydroquinolin-2(1H)-o...)Show InChI InChI=1S/C14H11N3O3/c18-13-4-3-9-6-11(10-2-1-5-15-8-10)7-12(17(19)20)14(9)16-13/h1-2,5-8H,3-4H2,(H,16,18) | PDB
UniProtKB/SwissProt
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UniChem
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PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50273781
(6-(5-methoxypyridin-3-yl)-1-methyl-3,4-dihydroquin...)Show InChI InChI=1S/C16H16N2O2/c1-18-15-5-3-11(7-12(15)4-6-16(18)19)13-8-14(20-2)10-17-9-13/h3,5,7-10H,4,6H2,1-2H3 | PDB
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PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50273701
(4-Methyl-7-pyridin-3-yl-3,4-dihydro-2H-1,4-benzoxa...)Show InChI InChI=1S/C14H14N2O/c1-16-7-8-17-14-9-11(4-5-13(14)16)12-3-2-6-15-10-12/h2-6,9-10H,7-8H2,1H3 | PDB
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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PubMed
| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50273702
(3-(2,3-Dihydro-1,4-benzodioxin-6-yl)pyridine | CHE...)Show InChI InChI=1S/C13H11NO2/c1-2-11(9-14-5-1)10-3-4-12-13(8-10)16-7-6-15-12/h1-5,8-9H,6-7H2 | PDB
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| n/a | n/a | 154 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50273700
(6-Pyridin-3-yl-3,4-dihydronaphthalene-2-carbonitri...)Show InChI InChI=1S/C16H12N2/c17-10-12-3-4-14-9-15(6-5-13(14)8-12)16-2-1-7-18-11-16/h1-2,5-9,11H,3-4H2 | PDB
MMDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50273705
(6-(5-Methoxypyridin-3-yl)-3,4-dihydronaphthalen-2(...)Show InChI InChI=1S/C16H15NO2/c1-19-16-8-14(9-17-10-16)12-2-3-13-7-15(18)5-4-11(13)6-12/h2-3,6,8-10H,4-5,7H2,1H3 | PDB
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| n/a | n/a | 191 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50273700
(6-Pyridin-3-yl-3,4-dihydronaphthalene-2-carbonitri...)Show InChI InChI=1S/C16H12N2/c17-10-12-3-4-14-9-15(6-5-13(14)8-12)16-2-1-7-18-11-16/h1-2,5-9,11H,3-4H2 | PDB
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| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50273780
(6-(5-Methoxypyridin-3-yl)-3,4-dihydroquinolin-2(1H...)Show InChI InChI=1S/C15H14N2O2/c1-19-13-7-12(8-16-9-13)10-2-4-14-11(6-10)3-5-15(18)17-14/h2,4,6-9H,3,5H2,1H3,(H,17,18) | PDB
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| n/a | n/a | 339 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50273677
(3-(6-Methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyr...)Show InChI InChI=1S/C16H17NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-5,8-9,11,16H,6-7,10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50273817
(7-Pyridin-3-yl-2H-1,4-benzothiazin-3(4H)-one | CHE...)Show InChI InChI=1S/C13H10N2OS/c16-13-8-17-12-6-9(3-4-11(12)15-13)10-2-1-5-14-7-10/h1-7H,8H2,(H,15,16) | PDB
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| n/a | n/a | 525 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50273815
(6-Pyridin-3-yl-3,4-dihydroquinoline-2(1H)-thione |...)Show InChI InChI=1S/C14H12N2S/c17-14-6-4-11-8-10(3-5-13(11)16-14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2,(H,16,17) | PDB
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| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM8905
(3-(6-Methoxy-2-naphthyl)pyridine | 3-(6-methoxynap...)Show InChI InChI=1S/C16H13NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-11H,1H3 | PDB
MMDB
Reactome pathway
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placental CYP19 |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50273676
(6-Pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-ol |...)Show InChI InChI=1S/C15H15NO/c17-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-16-10-14/h1-4,7-8,10,15,17H,5-6,9H2 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50273678
(3-(6-Ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyri...)Show InChI InChI=1S/C17H19NO/c1-2-19-17-8-7-13-10-14(5-6-15(13)11-17)16-4-3-9-18-12-16/h3-6,9-10,12,17H,2,7-8,11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50273815
(6-Pyridin-3-yl-3,4-dihydroquinoline-2(1H)-thione |...)Show InChI InChI=1S/C14H12N2S/c17-14-6-4-11-8-10(3-5-13(11)16-14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2,(H,16,17) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50273679
(6-Pyridin-3-yl-1,2,3,4-tetrahydronaphthalene-2-car...)Show InChI InChI=1S/C16H14N2/c17-10-12-3-4-14-9-15(6-5-13(14)8-12)16-2-1-7-18-11-16/h1-2,5-7,9,11-12H,3-4,8H2 | PDB
MMDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50273776
(1-Methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2(1H)-...)Show InChI InChI=1S/C15H14N2O/c1-17-14-6-4-11(13-3-2-8-16-10-13)9-12(14)5-7-15(17)18/h2-4,6,8-10H,5,7H2,1H3 | PDB
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PC sid
UniChem
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PubMed
| n/a | n/a | 742 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50273679
(6-Pyridin-3-yl-1,2,3,4-tetrahydronaphthalene-2-car...)Show InChI InChI=1S/C16H14N2/c17-10-12-3-4-14-9-15(6-5-13(14)8-12)16-2-1-7-18-11-16/h1-2,5-7,9,11-12H,3-4,8H2 | PDB
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PC sid
UniChem
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PubMed
| n/a | n/a | 745 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50273816
(8-Chloro-6-pyridin-3-yl-3,4-dihydroquinoline-2(1H)...)Show InChI InChI=1S/C14H11ClN2S/c15-12-7-11(10-2-1-5-16-8-10)6-9-3-4-13(18)17-14(9)12/h1-2,5-8H,3-4H2,(H,17,18) | PDB
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| n/a | n/a | 769 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50273704
(5-Pyridin-3-yl-2,3-dihydro-1H-inden-1-one | CHEMBL...)Show InChI InChI=1S/C14H11NO/c16-14-6-4-11-8-10(3-5-13(11)14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2 | PDB
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| n/a | n/a | 819 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50273677
(3-(6-Methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyr...)Show InChI InChI=1S/C16H17NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-5,8-9,11,16H,6-7,10H2,1H3 | PDB
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| n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50273704
(5-Pyridin-3-yl-2,3-dihydro-1H-inden-1-one | CHEMBL...)Show InChI InChI=1S/C14H11NO/c16-14-6-4-11-8-10(3-5-13(11)14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2 | PDB
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| Article
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| n/a | n/a | 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50273703
(6-Pyridin-3-yl-3,4-dihydronaphthalen-2(1H)-one | C...)Show InChI InChI=1S/C15H13NO/c17-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-16-10-14/h1-4,7-8,10H,5-6,9H2 | PDB
MMDB
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50273705
(6-(5-Methoxypyridin-3-yl)-3,4-dihydronaphthalen-2(...)Show InChI InChI=1S/C16H15NO2/c1-19-16-8-14(9-17-10-16)12-2-3-13-7-15(18)5-4-11(13)6-12/h2-3,6,8-10H,4-5,7H2,1H3 | PDB
MMDB
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| CHEMBL
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UniChem
| Article
PubMed
| n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50273778
(8-Chloro-6-pyridin-3-yl-3,4-dihydroquinolin-2(1H)-...)Show InChI InChI=1S/C14H11ClN2O/c15-12-7-11(10-2-1-5-16-8-10)6-9-3-4-13(18)17-14(9)12/h1-2,5-8H,3-4H2,(H,17,18) | PDB
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| n/a | n/a | 1.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50273776
(1-Methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2(1H)-...)Show InChI InChI=1S/C15H14N2O/c1-17-14-6-4-11(13-3-2-8-16-10-13)9-12(14)5-7-15(17)18/h2-4,6,8-10H,5,7H2,1H3 | PDB
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| CHEMBL
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| n/a | n/a | 1.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50000306
(6-Pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one | 6-P...)Show InChI InChI=1S/C14H12N2O/c17-14-6-4-11-8-10(3-5-13(11)16-14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2,(H,16,17) | PDB
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| n/a | n/a | 1.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50273675
(3-(5,6,7,8-Tetrahydronaphthalen-2-yl)pyridine | CH...)Show InChI InChI=1S/C15H15N/c1-2-5-13-10-14(8-7-12(13)4-1)15-6-3-9-16-11-15/h3,6-11H,1-2,4-5H2 | PDB
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| n/a | n/a | 1.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50236897
(3-(furan-2-ylmethyl)-1,8-dimethyl-1H-purine-2,6(3H...)Show InChI InChI=1S/C12H12N4O3/c1-7-13-9-10(14-7)16(6-8-4-3-5-19-8)12(18)15(2)11(9)17/h3-5H,6H2,1-2H3,(H,13,14) | PDB
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| n/a | n/a | 2.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM31768
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 2.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP17 expressed in Escherichia coli |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50273813
(6-Isoquinolin-4-yl-3,4-dihydroquinolin-2(1H)-one |...)Show InChI InChI=1S/C18H14N2O/c21-18-8-6-13-9-12(5-7-17(13)20-18)16-11-19-10-14-3-1-2-4-15(14)16/h1-5,7,9-11H,6,8H2,(H,20,21) | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
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| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50273777
(1-Ethyl-6-pyridin-3-yl-3,4-dihydroquinolin-2(1H)-o...)Show InChI InChI=1S/C16H16N2O/c1-2-18-15-7-5-12(14-4-3-9-17-11-14)10-13(15)6-8-16(18)19/h3-5,7,9-11H,2,6,8H2,1H3 | PDB
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Reactome pathway
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| CHEMBL
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PC sid
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| Article
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| n/a | n/a | 3.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50273705
(6-(5-Methoxypyridin-3-yl)-3,4-dihydronaphthalen-2(...)Show InChI InChI=1S/C16H15NO2/c1-19-16-8-14(9-17-10-16)12-2-3-13-7-15(18)5-4-11(13)6-12/h2-3,6,8-10H,4-5,7H2,1H3 | PDB
MMDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50273703
(6-Pyridin-3-yl-3,4-dihydronaphthalen-2(1H)-one | C...)Show InChI InChI=1S/C15H13NO/c17-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-16-10-14/h1-4,7-8,10H,5-6,9H2 | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50273678
(3-(6-Ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyri...)Show InChI InChI=1S/C17H19NO/c1-2-19-17-8-7-13-10-14(5-6-15(13)11-17)16-4-3-9-18-12-16/h3-6,9-10,12,17H,2,7-8,11H2,1H3 | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 4.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50273676
(6-Pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-ol |...)Show InChI InChI=1S/C15H15NO/c17-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-16-10-14/h1-4,7-8,10,15,17H,5-6,9H2 | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 4.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50273777
(1-Ethyl-6-pyridin-3-yl-3,4-dihydroquinolin-2(1H)-o...)Show InChI InChI=1S/C16H16N2O/c1-2-18-15-7-5-12(14-4-3-9-17-11-14)10-13(15)6-8-16(18)19/h3-5,7,9-11H,2,6,8H2,1H3 | PDB
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| CHEMBL
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| Article
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| n/a | n/a | 5.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50273780
(6-(5-Methoxypyridin-3-yl)-3,4-dihydroquinolin-2(1H...)Show InChI InChI=1S/C15H14N2O2/c1-19-13-7-12(8-16-9-13)10-2-4-14-11(6-10)3-5-15(18)17-14/h2,4,6-9H,3,5H2,1H3,(H,17,18) | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 5.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50273779
(8-Nitro-6-pyridin-3-yl-3,4-dihydroquinolin-2(1H)-o...)Show InChI InChI=1S/C14H11N3O3/c18-13-4-3-9-6-11(10-2-1-5-15-8-10)7-12(17(19)20)14(9)16-13/h1-2,5-8H,3-4H2,(H,16,18) | PDB
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PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM8904
(3-(2-Naphthyl)pyridine | 3-(naphthalen-2-yl)pyridi...)Show InChI InChI=1S/C15H11N/c1-2-5-13-10-14(8-7-12(13)4-1)15-6-3-9-16-11-15/h1-11H | PDB
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| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placental CYP19 |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50240772
((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...)Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1 | PDB
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PubMed
| n/a | n/a | 5.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50273706
(5-Pyridin-3-yl-1,3-dihydro-2H-indol-2-one | CHEMBL...)Show InChI InChI=1S/C13H10N2O/c16-13-7-11-6-9(3-4-12(11)15-13)10-2-1-5-14-8-10/h1-6,8H,7H2,(H,15,16) | PDB
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 5.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50273701
(4-Methyl-7-pyridin-3-yl-3,4-dihydro-2H-1,4-benzoxa...)Show InChI InChI=1S/C14H14N2O/c1-16-7-8-17-14-9-11(4-5-13(14)16)12-3-2-6-15-10-12/h2-6,9-10H,7-8H2,1H3 | PDB
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PubMed
| n/a | n/a | 5.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50273703
(6-Pyridin-3-yl-3,4-dihydronaphthalen-2(1H)-one | C...)Show InChI InChI=1S/C15H13NO/c17-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-16-10-14/h1-4,7-8,10H,5-6,9H2 | PDB
MMDB
Reactome pathway
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| Article
PubMed
| n/a | n/a | 6.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50240772
((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...)Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 6.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2B6 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50273706
(5-Pyridin-3-yl-1,3-dihydro-2H-indol-2-one | CHEMBL...)Show InChI InChI=1S/C13H10N2O/c16-13-7-11-6-9(3-4-12(11)15-13)10-2-1-5-14-8-10/h1-6,8H,7H2,(H,15,16) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 6.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50000306
(6-Pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one | 6-P...)Show InChI InChI=1S/C14H12N2O/c17-14-6-4-11-8-10(3-5-13(11)16-14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2,(H,16,17) | PDB
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| n/a | n/a | 6.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50273813
(6-Isoquinolin-4-yl-3,4-dihydroquinolin-2(1H)-one |...)Show InChI InChI=1S/C18H14N2O/c21-18-8-6-13-9-12(5-7-17(13)20-18)16-11-19-10-14-3-1-2-4-15(14)16/h1-5,7,9-11H,6,8H2,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50273677
(3-(6-Methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyr...)Show InChI InChI=1S/C16H17NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-5,8-9,11,16H,6-7,10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 1.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50273705
(6-(5-Methoxypyridin-3-yl)-3,4-dihydronaphthalen-2(...)Show InChI InChI=1S/C16H15NO2/c1-19-16-8-14(9-17-10-16)12-2-3-13-7-15(18)5-4-11(13)6-12/h2-3,6,8-10H,4-5,7H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
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UniChem
| Article
PubMed
| n/a | n/a | 1.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50273702
(3-(2,3-Dihydro-1,4-benzodioxin-6-yl)pyridine | CHE...)Show InChI InChI=1S/C13H11NO2/c1-2-11(9-14-5-1)10-3-4-12-13(8-10)16-7-6-15-12/h1-5,8-9H,6-7H2 | PDB
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| n/a | n/a | 1.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50121975
((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1 | PDB
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Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50273677
(3-(6-Methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyr...)Show InChI InChI=1S/C16H17NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-5,8-9,11,16H,6-7,10H2,1H3 | PDB
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Reactome pathway
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 1.63E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50273781
(6-(5-methoxypyridin-3-yl)-1-methyl-3,4-dihydroquin...)Show InChI InChI=1S/C16H16N2O2/c1-18-15-5-3-11(7-12(15)4-6-16(18)19)13-8-14(20-2)10-17-9-13/h3,5,7-10H,4,6H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 1.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50273703
(6-Pyridin-3-yl-3,4-dihydronaphthalen-2(1H)-one | C...)Show InChI InChI=1S/C15H13NO/c17-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-16-10-14/h1-4,7-8,10H,5-6,9H2 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50273778
(8-Chloro-6-pyridin-3-yl-3,4-dihydroquinolin-2(1H)-...)Show InChI InChI=1S/C14H11ClN2O/c15-12-7-11(10-2-1-5-16-8-10)6-9-3-4-13(18)17-14(9)12/h1-2,5-8H,3-4H2,(H,17,18) | PDB
MMDB
Reactome pathway
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 3.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM8909
(6-(pyridin-3-yl)naphthalene-2-carbonitrile | 6-Pyr...)Show InChI InChI=1S/C16H10N2/c17-10-12-3-4-14-9-15(6-5-13(14)8-12)16-2-1-7-18-11-16/h1-9,11H | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >3.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placental CYP19 |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50273703
(6-Pyridin-3-yl-3,4-dihydronaphthalen-2(1H)-one | C...)Show InChI InChI=1S/C15H13NO/c17-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-16-10-14/h1-4,7-8,10H,5-6,9H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50273705
(6-(5-Methoxypyridin-3-yl)-3,4-dihydronaphthalen-2(...)Show InChI InChI=1S/C16H15NO2/c1-19-16-8-14(9-17-10-16)12-2-3-13-7-15(18)5-4-11(13)6-12/h2-3,6,8-10H,4-5,7H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50273677
(3-(6-Methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyr...)Show InChI InChI=1S/C16H17NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-5,8-9,11,16H,6-7,10H2,1H3 | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.74E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2B6 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50273813
(6-Isoquinolin-4-yl-3,4-dihydroquinolin-2(1H)-one |...)Show InChI InChI=1S/C18H14N2O/c21-18-8-6-13-9-12(5-7-17(13)20-18)16-11-19-10-14-3-1-2-4-15(14)16/h1-5,7,9-11H,6,8H2,(H,20,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50000306
(6-Pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one | 6-P...)Show InChI InChI=1S/C14H12N2O/c17-14-6-4-11-8-10(3-5-13(11)16-14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2,(H,16,17) | PDB
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| n/a | n/a | 5.89E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50273813
(6-Isoquinolin-4-yl-3,4-dihydroquinolin-2(1H)-one |...)Show InChI InChI=1S/C18H14N2O/c21-18-8-6-13-9-12(5-7-17(13)20-18)16-11-19-10-14-3-1-2-4-15(14)16/h1-5,7,9-11H,6,8H2,(H,20,21) | PDB
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| CHEMBL
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PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2B6 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50273776
(1-Methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2(1H)-...)Show InChI InChI=1S/C15H14N2O/c1-17-14-6-4-11(13-3-2-8-16-10-13)9-12(14)5-7-15(17)18/h2-4,6,8-10H,5,7H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.22E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50273704
(5-Pyridin-3-yl-2,3-dihydro-1H-inden-1-one | CHEMBL...)Show InChI InChI=1S/C14H11NO/c16-14-6-4-11-8-10(3-5-13(11)14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2 | PDB
MMDB
Reactome pathway
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B.MOAD
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| Purchase
CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.23E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50273776
(1-Methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2(1H)-...)Show InChI InChI=1S/C15H14N2O/c1-17-14-6-4-11(13-3-2-8-16-10-13)9-12(14)5-7-15(17)18/h2-4,6,8-10H,5,7H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50000306
(6-Pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one | 6-P...)Show InChI InChI=1S/C14H12N2O/c17-14-6-4-11-8-10(3-5-13(11)16-14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2,(H,16,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.27E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50273704
(5-Pyridin-3-yl-2,3-dihydro-1H-inden-1-one | CHEMBL...)Show InChI InChI=1S/C14H11NO/c16-14-6-4-11-8-10(3-5-13(11)14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.47E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50273813
(6-Isoquinolin-4-yl-3,4-dihydroquinolin-2(1H)-one |...)Show InChI InChI=1S/C18H14N2O/c21-18-8-6-13-9-12(5-7-17(13)20-18)16-11-19-10-14-3-1-2-4-15(14)16/h1-5,7,9-11H,6,8H2,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50000306
(6-Pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one | 6-P...)Show InChI InChI=1S/C14H12N2O/c17-14-6-4-11-8-10(3-5-13(11)16-14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2,(H,16,17) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 1.71E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50273703
(6-Pyridin-3-yl-3,4-dihydronaphthalen-2(1H)-one | C...)Show InChI InChI=1S/C15H13NO/c17-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-16-10-14/h1-4,7-8,10H,5-6,9H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.71E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50090677
(4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...)Show InChI InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 3.18E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 expressed in baculovirus-infected insect microsomes |
J Med Chem 51: 8077-87 (2008)
Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008 |
More data for this
Ligand-Target Pair | |
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