null

SMILES: Cc1cccc(c1)C(C)(O)c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O

InChI Key: InChIKey=FSQCSEDCASSWNM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50175300   

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))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt 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))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.30E+4	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))	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	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) BindingDB Entry DOI: 10.7270/Q24B337T
					More data for this Ligand-Target Pair