BDBM50517949 CHEMBL4447540

SMILES: CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1

InChI Key: InChIKey=JCOQDKZVKXILLW-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 50517949   

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))	BDBM50517949 (CHEMBL4447540) Show SMILES CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1 Show InChI InChI=1S/C15H12N4O4S2/c1-2-23-15(22)19-11(20)8-4-6-24-13(8)18-12(21)14-17-9-7-16-5-3-10(9)25-14/h3-7H,2H2,1H3,(H,18,21)(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
The Maharaja Sayajirao University of Baroda Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 30 mins by in presence of NADPH by LC-MS/MS analysis				J Med Chem 61: 8563-8593 (2018) Article DOI: 10.1021/acs.jmedchem.8b00281
					More data for this Ligand-Target Pair				3D Structure (crystal)
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50517949 (CHEMBL4447540) Show SMILES CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1 Show InChI InChI=1S/C15H12N4O4S2/c1-2-23-15(22)19-11(20)8-4-6-24-13(8)18-12(21)14-17-9-7-16-5-3-10(9)25-14/h3-7H,2H2,1H3,(H,18,21)(H,19,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
The Maharaja Sayajirao University of Baroda Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-thioredoxin tagged Mycobacterium tuberculosis H37Rv DprE1 expressed in Escherichia coli BL21(DE3) using FPR as substrat...				J Med Chem 61: 8563-8593 (2018) Article DOI: 10.1021/acs.jmedchem.8b00281
					More data for this Ligand-Target Pair