BDBM50175301 CHEMBL3809367

SMILES: Cc1ccc(cc1)C(C)(O)c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O

InChI Key: InChIKey=CDTWMSVGAOICNX-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50175301   

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))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
Cytochrome P450 2C9 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+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))	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	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) BindingDB Entry DOI: 10.7270/Q24B337T
					More data for this Ligand-Target Pair