BDBM50174227 CHEMBL3810052

SMILES: CCCCc1ccc(NC(=O)CSc2nnc([nH]2)-c2ccccc2)cc1

InChI Key: InChIKey=ORJNOEGNHCCBHN-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 = 50174227   

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
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM50174227 (CHEMBL3810052) Show SMILES CCCCc1ccc(NC(=O)CSc2nnc([nH]2)-c2ccccc2)cc1 Show InChI InChI=1S/C20H22N4OS/c1-2-3-7-15-10-12-17(13-11-15)21-18(25)14-26-20-22-19(23-24-20)16-8-5-4-6-9-16/h4-6,8-13H,2-3,7,14H2,1H3,(H,21,25)(H,22,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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
Northwest University Curated by ChEMBL					Assay Description Mixed type inhibition of Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells assessed as hydrolysis of c...				ACS Med Chem Lett 7: 413-7 (2016) BindingDB Entry DOI: 10.7270/Q2GQ70PT
					More data for this Ligand-Target Pair