BDBM50431943 CHEMBL2348088

SMILES: OC(=O)CCCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccc1

InChI Key: InChIKey=XQVKKBCGHWVZPJ-NTEUORMPSA-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 = 50431943   

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))	BDBM50431943 (CHEMBL2348088) Show SMILES OC(=O)CCCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccc1 Show InChI InChI=1S/C17H16N2O3S2/c20-13-10-23-14(18-13)9-15-19-17(11-5-2-1-3-6-11)12(24-15)7-4-8-16(21)22/h1-3,5-6,9H,4,7-8,10H2,(H,18,20)(H,21,22)/b14-9+	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	500	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