BDBM50445408 CHEMBL3104661

SMILES: OCCC1S\C(NC1=O)=C\c1nc2ccccc2[nH]1

InChI Key: InChIKey=GSGPETRMSFEDPF-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 = 50445408   

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))	BDBM50445408 (CHEMBL3104661) Show SMILES OCCC1S\C(NC1=O)=C\c1nc2ccccc2[nH]1 Show InChI InChI=1S/C13H13N3O2S/c17-6-5-10-13(18)16-12(19-10)7-11-14-8-3-1-2-4-9(8)15-11/h1-4,7,10,17H,5-6H2,(H,14,15)(H,16,18)/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	480	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant ADAMTS-5 using interglobular domain peptide of aggrecan after 60 mins by FRET assay				Eur J Med Chem 71: 250-8 (2014) Article DOI: 10.1016/j.ejmech.2013.10.075 BindingDB Entry DOI: 10.7270/Q2F76F15
					More data for this Ligand-Target Pair