BDBM50441576 CHEMBL2437149

SMILES: Clc1ccc(OCC(=O)Nn2ccn(Cc3ccc(cc3)-c3ccccc3)c2=S)cc1

InChI Key: InChIKey=ITUAMKDZJLTART-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 = 50441576   

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))	BDBM50441576 (CHEMBL2437149) Show SMILES Clc1ccc(OCC(=O)Nn2ccn(Cc3ccc(cc3)-c3ccccc3)c2=S)cc1 Show InChI InChI=1S/C24H20ClN3O2S/c25-21-10-12-22(13-11-21)30-17-23(29)26-28-15-14-27(24(28)31)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-15H,16-17H2,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of human recombinant ADAMTS-5 using ARGSVILTV-KPIFEVSPSPL(biotinyl)K as substrate incubated 10 mins prior to substrate addition measured a...				Eur J Med Chem 69: 244-61 (2013) Article DOI: 10.1016/j.ejmech.2013.08.027 BindingDB Entry DOI: 10.7270/Q2J967TM
					More data for this Ligand-Target Pair