Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50003112 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 2D6
(Homo sapiens (Human)) | BDBM50467105
(CHEMBL4295138)Show InChI InChI=1S/C17H21ClN2OS/c1-10-6-11(9-17(2,3)8-10)15(21)20-16-19-13-5-4-12(18)7-14(13)22-16/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,19,20,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50467108
(CHEMBL4292052)Show SMILES CC1CC(C)CC(C1)C(=O)Nc1nc2ccc(cc2s1)C(F)(F)F Show InChI InChI=1S/C17H19F3N2OS/c1-9-5-10(2)7-11(6-9)15(23)22-16-21-13-4-3-12(17(18,19)20)8-14(13)24-16/h3-4,8-11H,5-7H2,1-2H3,(H,21,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50467107
(CHEMBL4281073)Show InChI InChI=1S/C17H21BrN2OS/c1-10-6-11(9-17(2,3)8-10)15(21)20-16-19-13-5-4-12(18)7-14(13)22-16/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,19,20,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50467107
(CHEMBL4281073)Show InChI InChI=1S/C17H21BrN2OS/c1-10-6-11(9-17(2,3)8-10)15(21)20-16-19-13-5-4-12(18)7-14(13)22-16/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50467107
(CHEMBL4281073)Show InChI InChI=1S/C17H21BrN2OS/c1-10-6-11(9-17(2,3)8-10)15(21)20-16-19-13-5-4-12(18)7-14(13)22-16/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,19,20,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP2B6 (unknown origin) |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50467105
(CHEMBL4295138)Show InChI InChI=1S/C17H21ClN2OS/c1-10-6-11(9-17(2,3)8-10)15(21)20-16-19-13-5-4-12(18)7-14(13)22-16/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,19,20,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP2B6 (unknown origin) |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50467105
(CHEMBL4295138)Show InChI InChI=1S/C17H21ClN2OS/c1-10-6-11(9-17(2,3)8-10)15(21)20-16-19-13-5-4-12(18)7-14(13)22-16/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50467106
(CHEMBL4287884)Show SMILES CC1CC(CC(C)(C)C1)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 Show InChI InChI=1S/C18H21F3N2O2S/c1-10-6-11(9-17(2,3)8-10)15(24)23-16-22-13-5-4-12(7-14(13)26-16)25-18(19,20)21/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50467105
(CHEMBL4295138)Show InChI InChI=1S/C17H21ClN2OS/c1-10-6-11(9-17(2,3)8-10)15(21)20-16-19-13-5-4-12(18)7-14(13)22-16/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50467106
(CHEMBL4287884)Show SMILES CC1CC(CC(C)(C)C1)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 Show InChI InChI=1S/C18H21F3N2O2S/c1-10-6-11(9-17(2,3)8-10)15(24)23-16-22-13-5-4-12(7-14(13)26-16)25-18(19,20)21/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,22,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50467108
(CHEMBL4292052)Show SMILES CC1CC(C)CC(C1)C(=O)Nc1nc2ccc(cc2s1)C(F)(F)F Show InChI InChI=1S/C17H19F3N2OS/c1-9-5-10(2)7-11(6-9)15(23)22-16-21-13-4-3-12(17(18,19)20)8-14(13)24-16/h3-4,8-11H,5-7H2,1-2H3,(H,21,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50467107
(CHEMBL4281073)Show InChI InChI=1S/C17H21BrN2OS/c1-10-6-11(9-17(2,3)8-10)15(21)20-16-19-13-5-4-12(18)7-14(13)22-16/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,19,20,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50467105
(CHEMBL4295138)Show InChI InChI=1S/C17H21ClN2OS/c1-10-6-11(9-17(2,3)8-10)15(21)20-16-19-13-5-4-12(18)7-14(13)22-16/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,19,20,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50467108
(CHEMBL4292052)Show SMILES CC1CC(C)CC(C1)C(=O)Nc1nc2ccc(cc2s1)C(F)(F)F Show InChI InChI=1S/C17H19F3N2OS/c1-9-5-10(2)7-11(6-9)15(23)22-16-21-13-4-3-12(17(18,19)20)8-14(13)24-16/h3-4,8-11H,5-7H2,1-2H3,(H,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50467107
(CHEMBL4281073)Show InChI InChI=1S/C17H21BrN2OS/c1-10-6-11(9-17(2,3)8-10)15(21)20-16-19-13-5-4-12(18)7-14(13)22-16/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50467106
(CHEMBL4287884)Show SMILES CC1CC(CC(C)(C)C1)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 Show InChI InChI=1S/C18H21F3N2O2S/c1-10-6-11(9-17(2,3)8-10)15(24)23-16-22-13-5-4-12(7-14(13)26-16)25-18(19,20)21/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50467108
(CHEMBL4292052)Show SMILES CC1CC(C)CC(C1)C(=O)Nc1nc2ccc(cc2s1)C(F)(F)F Show InChI InChI=1S/C17H19F3N2OS/c1-9-5-10(2)7-11(6-9)15(23)22-16-21-13-4-3-12(17(18,19)20)8-14(13)24-16/h3-4,8-11H,5-7H2,1-2H3,(H,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50467107
(CHEMBL4281073)Show InChI InChI=1S/C17H21BrN2OS/c1-10-6-11(9-17(2,3)8-10)15(21)20-16-19-13-5-4-12(18)7-14(13)22-16/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50467108
(CHEMBL4292052)Show SMILES CC1CC(C)CC(C1)C(=O)Nc1nc2ccc(cc2s1)C(F)(F)F Show InChI InChI=1S/C17H19F3N2OS/c1-9-5-10(2)7-11(6-9)15(23)22-16-21-13-4-3-12(17(18,19)20)8-14(13)24-16/h3-4,8-11H,5-7H2,1-2H3,(H,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using testosterone as substrate |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50467107
(CHEMBL4281073)Show InChI InChI=1S/C17H21BrN2OS/c1-10-6-11(9-17(2,3)8-10)15(21)20-16-19-13-5-4-12(18)7-14(13)22-16/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using testosterone as substrate |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50467105
(CHEMBL4295138)Show InChI InChI=1S/C17H21ClN2OS/c1-10-6-11(9-17(2,3)8-10)15(21)20-16-19-13-5-4-12(18)7-14(13)22-16/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using testosterone as substrate |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50467108
(CHEMBL4292052)Show SMILES CC1CC(C)CC(C1)C(=O)Nc1nc2ccc(cc2s1)C(F)(F)F Show InChI InChI=1S/C17H19F3N2OS/c1-9-5-10(2)7-11(6-9)15(23)22-16-21-13-4-3-12(17(18,19)20)8-14(13)24-16/h3-4,8-11H,5-7H2,1-2H3,(H,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50467108
(CHEMBL4292052)Show SMILES CC1CC(C)CC(C1)C(=O)Nc1nc2ccc(cc2s1)C(F)(F)F Show InChI InChI=1S/C17H19F3N2OS/c1-9-5-10(2)7-11(6-9)15(23)22-16-21-13-4-3-12(17(18,19)20)8-14(13)24-16/h3-4,8-11H,5-7H2,1-2H3,(H,21,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP2B6 (unknown origin) |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50467106
(CHEMBL4287884)Show SMILES CC1CC(CC(C)(C)C1)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 Show InChI InChI=1S/C18H21F3N2O2S/c1-10-6-11(9-17(2,3)8-10)15(24)23-16-22-13-5-4-12(7-14(13)26-16)25-18(19,20)21/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50467106
(CHEMBL4287884)Show SMILES CC1CC(CC(C)(C)C1)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 Show InChI InChI=1S/C18H21F3N2O2S/c1-10-6-11(9-17(2,3)8-10)15(24)23-16-22-13-5-4-12(7-14(13)26-16)25-18(19,20)21/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,22,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50467106
(CHEMBL4287884)Show SMILES CC1CC(CC(C)(C)C1)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 Show InChI InChI=1S/C18H21F3N2O2S/c1-10-6-11(9-17(2,3)8-10)15(24)23-16-22-13-5-4-12(7-14(13)26-16)25-18(19,20)21/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,22,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP2B6 (unknown origin) |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50467105
(CHEMBL4295138)Show InChI InChI=1S/C17H21ClN2OS/c1-10-6-11(9-17(2,3)8-10)15(21)20-16-19-13-5-4-12(18)7-14(13)22-16/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50467106
(CHEMBL4287884)Show SMILES CC1CC(CC(C)(C)C1)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 Show InChI InChI=1S/C18H21F3N2O2S/c1-10-6-11(9-17(2,3)8-10)15(24)23-16-22-13-5-4-12(7-14(13)26-16)25-18(19,20)21/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Crestone, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using testosterone as substrate |
Bioorg Med Chem Lett 28: 3177-3181 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.026
BindingDB Entry DOI: 10.7270/Q29G5QHJ |
More data for this
Ligand-Target Pair | |
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