BDBM50355113 CHEMBL1835581

SMILES: CC1NC(=O)C(C#N)=C(SCc2ccccc2)S1

InChI Key: InChIKey=BFIALVSRBPCDMI-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 = 50355113   

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
4-diphosphocytidyl-2-C-methyl-D-erythritol kinase (Yersinia pestis)	BDBM50355113 (CHEMBL1835581) Show SMILES CC1NC(=O)C(C#N)=C(SCc2ccccc2)S1 |t:7| Show InChI InChI=1S/C13H12N2OS2/c1-9-15-12(16)11(7-14)13(18-9)17-8-10-5-3-2-4-6-10/h2-6,9H,8H2,1H3,(H,15,16)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of His6-tagged Yersinia pestis KIM6 CDP-ME kinase assessed as ADP production after 30 mins by Kinase Glo luminescence-based assay or stand...				Bioorg Med Chem 19: 5886-95 (2011) Article DOI: 10.1016/j.bmc.2011.08.012 BindingDB Entry DOI: 10.7270/Q2W37WQJ
					More data for this Ligand-Target Pair