Found 4 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 3A4
(Homo sapiens (Human)) | BDBM50332241
((S)-(1-(cyclohexylmethyl)-7-methoxy-1H-indol-3-yl)...)Show SMILES COc1cccc2c(cn(CC3CCCCC3)c12)C(=O)N1CCN2CCCC[C@H]2C1 |r| Show InChI InChI=1S/C25H35N3O2/c1-30-23-12-7-11-21-22(18-28(24(21)23)16-19-8-3-2-4-9-19)25(29)27-15-14-26-13-6-5-10-20(26)17-27/h7,11-12,18-20H,2-6,8-10,13-17H2,1H3/t20-/m0/s1 | 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 | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
Bioorg Med Chem Lett 20: 7327-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.061
BindingDB Entry DOI: 10.7270/Q26T0MWV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50332241
((S)-(1-(cyclohexylmethyl)-7-methoxy-1H-indol-3-yl)...)Show SMILES COc1cccc2c(cn(CC3CCCCC3)c12)C(=O)N1CCN2CCCC[C@H]2C1 |r| Show InChI InChI=1S/C25H35N3O2/c1-30-23-12-7-11-21-22(18-28(24(21)23)16-19-8-3-2-4-9-19)25(29)27-15-14-26-13-6-5-10-20(26)17-27/h7,11-12,18-20H,2-6,8-10,13-17H2,1H3/t20-/m0/s1 | 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 | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 |
Bioorg Med Chem Lett 20: 7327-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.061
BindingDB Entry DOI: 10.7270/Q26T0MWV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50332241
((S)-(1-(cyclohexylmethyl)-7-methoxy-1H-indol-3-yl)...)Show SMILES COc1cccc2c(cn(CC3CCCCC3)c12)C(=O)N1CCN2CCCC[C@H]2C1 |r| Show InChI InChI=1S/C25H35N3O2/c1-30-23-12-7-11-21-22(18-28(24(21)23)16-19-8-3-2-4-9-19)25(29)27-15-14-26-13-6-5-10-20(26)17-27/h7,11-12,18-20H,2-6,8-10,13-17H2,1H3/t20-/m0/s1 | 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 | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
Bioorg Med Chem Lett 20: 7327-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.061
BindingDB Entry DOI: 10.7270/Q26T0MWV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50332241
((S)-(1-(cyclohexylmethyl)-7-methoxy-1H-indol-3-yl)...)Show SMILES COc1cccc2c(cn(CC3CCCCC3)c12)C(=O)N1CCN2CCCC[C@H]2C1 |r| Show InChI InChI=1S/C25H35N3O2/c1-30-23-12-7-11-21-22(18-28(24(21)23)16-19-8-3-2-4-9-19)25(29)27-15-14-26-13-6-5-10-20(26)17-27/h7,11-12,18-20H,2-6,8-10,13-17H2,1H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
Bioorg Med Chem Lett 20: 7327-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.061
BindingDB Entry DOI: 10.7270/Q26T0MWV |
More data for this
Ligand-Target Pair | |
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