BDBM50431945 CHEMBL2348086

SMILES: CC(C(O)=O)c1sc(\C=C2/NC(=O)CS2)nc1-c1ccccc1

InChI Key: InChIKey=PLHDPJMDBRGPIQ-KPKJPENVSA-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 = 50431945   

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
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5) (Homo sapiens (Human))	BDBM50431945 (CHEMBL2348086) Show SMILES CC(C(O)=O)c1sc(\C=C2/NC(=O)CS2)nc1-c1ccccc1 Show InChI InChI=1S/C16H14N2O3S2/c1-9(16(20)21)15-14(10-5-3-2-4-6-10)18-13(23-15)7-12-17-11(19)8-22-12/h2-7,9H,8H2,1H3,(H,17,19)(H,20,21)/b12-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method				Bioorg Med Chem Lett 23: 2106-10 (2013) Article DOI: 10.1016/j.bmcl.2013.01.121 BindingDB Entry DOI: 10.7270/Q26974ZF
					More data for this Ligand-Target Pair