Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50047569 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 2C8
(Homo sapiens (Human)) | BDBM50175303
(CHEMBL3810042)Show SMILES CC(C)OC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H20F3N5O3S/c1-13(2)34-20(14-4-3-5-15(8-14)23(24,25)26)21-27-10-18(30-21)31-7-6-16(9-19(31)32)29-22(33)17-11-35-12-28-17/h3-13,20H,1-2H3,(H,27,30)(H,29,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064
BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50175304
(CHEMBL3808842)Show SMILES CC(c1cccc(c1)C(F)(F)F)n1cnc(c1)-n1ccc(NC(=O)c2cscn2)cc1=O Show InChI InChI=1S/C21H16F3N5O2S/c1-13(14-3-2-4-15(7-14)21(22,23)24)28-9-18(25-11-28)29-6-5-16(8-19(29)30)27-20(31)17-10-32-12-26-17/h2-13H,1H3,(H,27,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064
BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50175298
(CHEMBL3809890)Show SMILES OC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H14F3N5O3S/c21-20(22,23)12-3-1-2-11(6-12)17(30)18-24-8-15(27-18)28-5-4-13(7-16(28)29)26-19(31)14-9-32-10-25-14/h1-10,17,30H,(H,24,27)(H,26,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064
BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50175299
(CHEMBL3808805)Show SMILES CC(O)(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H16F3N5O3S/c1-20(32,12-3-2-4-13(7-12)21(22,23)24)19-25-9-16(28-19)29-6-5-14(8-17(29)30)27-18(31)15-10-33-11-26-15/h2-11,32H,1H3,(H,25,28)(H,27,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064
BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50175301
(CHEMBL3809367)Show SMILES Cc1ccc(cc1)C(C)(O)c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O Show InChI InChI=1S/C21H19N5O3S/c1-13-3-5-14(6-4-13)21(2,29)20-22-10-17(25-20)26-8-7-15(9-18(26)27)24-19(28)16-11-30-12-23-16/h3-12,29H,1-2H3,(H,22,25)(H,24,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064
BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50175300
(CHEMBL3810414)Show SMILES Cc1cccc(c1)C(C)(O)c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O Show InChI InChI=1S/C21H19N5O3S/c1-13-4-3-5-14(8-13)21(2,29)20-22-10-17(25-20)26-7-6-15(9-18(26)27)24-19(28)16-11-30-12-23-16/h3-12,29H,1-2H3,(H,22,25)(H,24,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064
BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this
Ligand-Target Pair | |
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