BDBM50271963 CHEMBL1559342

SMILES: CN1CCN(CC1)NC(=O)CN1C(=S)S\C(=C/c2c(Cl)cccc2Cl)C1=O

InChI Key: InChIKey=IDQOMBUNOSBFKM-ZROIWOOFSA-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 = 50271963   

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 (Bacillus cereus)	BDBM50271963 (CHEMBL1559342) Show SMILES CN1CCN(CC1)NC(=O)CN1C(=S)S\C(=C/c2c(Cl)cccc2Cl)C1=O Show InChI InChI=1S/C17H18Cl2N4O2S2/c1-21-5-7-22(8-6-21)20-15(24)10-23-16(25)14(27-17(23)26)9-11-12(18)3-2-4-13(11)19/h2-4,9H,5-8,10H2,1H3,(H,20,24)/b14-9-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay				Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC
					More data for this Ligand-Target Pair