BDBM50204971 CHEMBL233539::N-[4-(4-acetylamino-5-cyanomethylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl)-thiazol-2-yl]-2-chloro-acetamide

SMILES: CC(=O)Nn1c(Cc2csc(NC(=O)CCl)n2)nnc1SCC#N

InChI Key: InChIKey=XINSIGOHVDSHMB-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 = 50204971   

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
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50204971 (CHEMBL233539 | N-[4-(4-acetylamino-5-cyanomethylsu...) Show SMILES CC(=O)Nn1c(Cc2csc(NC(=O)CCl)n2)nnc1SCC#N Show InChI InChI=1S/C12H12ClN7O2S2/c1-7(21)19-20-9(17-18-12(20)23-3-2-14)4-8-6-24-11(15-8)16-10(22)5-13/h6H,3-5H2,1H3,(H,19,21)(H,15,16,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	415	n/a	n/a	n/a	n/a	n/a	n/a
Dr. Reddys Laboratories Curated by ChEMBL					Assay Description Inhibition of human cdk5/p25 by SPA				Bioorg Med Chem 15: 2601-10 (2007) Article DOI: 10.1016/j.bmc.2007.01.043 BindingDB Entry DOI: 10.7270/Q25B025P
					More data for this Ligand-Target Pair