BDBM50174306 CHEMBL3808797

SMILES: CCCCc1ccc(NC(=O)CSc2nnc([nH]2)-c2ccc(O)cc2)cc1

InChI Key: InChIKey=DEVFRRFLMXKTAW-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 = 50174306   

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)	BDBM50174306 (CHEMBL3808797) Show SMILES CCCCc1ccc(NC(=O)CSc2nnc([nH]2)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C20H22N4O2S/c1-2-3-4-14-5-9-16(10-6-14)21-18(26)13-27-20-22-19(23-24-20)15-7-11-17(25)12-8-15/h5-12,25H,2-4,13H2,1H3,(H,21,26)(H,22,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	480	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