BDBM50174310 CHEMBL3809903

SMILES: Cc1ccccc1NC(=O)CSc1nnc([nH]1)-c1ccccc1N

InChI Key: InChIKey=WNFPWRDKGWWFKH-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50174310   

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
Beta-lactamase NDM-1 (Klebsiella pneumoniae)	BDBM50174310 (CHEMBL3809903) Show SMILES Cc1ccccc1NC(=O)CSc1nnc([nH]1)-c1ccccc1N Show InChI InChI=1S/C17H17N5OS/c1-11-6-2-5-9-14(11)19-15(23)10-24-17-20-16(21-22-17)12-7-3-4-8-13(12)18/h2-9H,10,18H2,1H3,(H,19,23)(H,20,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Inhibition of Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells preincubated for 60 min followed by ad...				ACS Med Chem Lett 7: 413-7 (2016) BindingDB Entry DOI: 10.7270/Q2GQ70PT
					More data for this Ligand-Target Pair