BDBM50204981 3-(4-((4-(4-chlorobenzamido)-5-(cyanomethylthio)-4H-1,2,4-triazol-3-yl)methyl)thiazol-2-ylamino)propanoic acid::3-{N-[4-(4-(4-chlorobenzoylamino)-5-[(cyanomethyl)sulfanyl]-4H-1,2,4-triazol-3-ylmethyl)-1,3-thiazol-2-yl]-amino}propanoic acid::CHEMBL233953

SMILES: OC(=O)CCNc1nc(Cc2nnc(SCC#N)n2NC(=O)c2ccc(Cl)cc2)cs1

InChI Key: InChIKey=XXOSKHOFQSTKGG-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 = 50204981   

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))	BDBM50204981 (3-(4-((4-(4-chlorobenzamido)-5-(cyanomethylthio)-4...) Show SMILES OC(=O)CCNc1nc(Cc2nnc(SCC#N)n2NC(=O)c2ccc(Cl)cc2)cs1 Show InChI InChI=1S/C18H16ClN7O3S2/c19-12-3-1-11(2-4-12)16(29)25-26-14(23-24-18(26)30-8-6-20)9-13-10-31-17(22-13)21-7-5-15(27)28/h1-4,10H,5,7-9H2,(H,21,22)(H,25,29)(H,27,28)	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	426	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