Found 3 hits for monomerid = 50175298 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Cytochrome P450 3A4
(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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
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
| 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)
BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this Ligand-Target Pair | |