null

SMILES: CC(C)CC(O)(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=VEYOCGAKDPCFHN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50175302   

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 2C9 (Homo sapiens (Human))	BDBM50175302 (CHEMBL3808401) Show SMILES CC(C)CC(O)(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H22F3N5O3S/c1-14(2)10-23(35,15-4-3-5-16(8-15)24(25,26)27)22-28-11-19(31-22)32-7-6-17(9-20(32)33)30-21(34)18-12-36-13-29-18/h3-9,11-14,35H,10H2,1-2H3,(H,28,31)(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	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 3A4 (Homo sapiens (Human))	BDBM50175302 (CHEMBL3808401) Show SMILES CC(C)CC(O)(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H22F3N5O3S/c1-14(2)10-23(35,15-4-3-5-16(8-15)24(25,26)27)22-28-11-19(31-22)32-7-6-17(9-20(32)33)30-21(34)18-12-36-13-29-18/h3-9,11-14,35H,10H2,1-2H3,(H,28,31)(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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