BDBM50395687 CHEMBL2164080

SMILES: CCCCNc1nc(NCc2csc(n2)-c2cccs2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=SAJJCGNIFDWLKU-AREMUKBSSA-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 = 50395687   

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))	BDBM50395687 (CHEMBL2164080) Show SMILES CCCCNc1nc(NCc2csc(n2)-c2cccs2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C32H36N8O2S3/c1-2-3-17-33-30-37-31(34-20-25-22-44-29(36-25)28-12-8-19-43-28)39-32(38-30)40-18-7-11-26(40)21-35-45(41,42)27-15-13-24(14-16-27)23-9-5-4-6-10-23/h4-6,8-10,12-16,19,22,26,35H,2-3,7,11,17-18,20-21H2,1H3,(H2,33,34,37,38,39)/t26-/m1/s1	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	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ADAMTS-5 expressed in CHO cells using WAAG-3R as substrate preincubated for 15 mins measured after 1 hr by FRET assay				J Med Chem 55: 7061-79 (2012) Article DOI: 10.1021/jm300449x BindingDB Entry DOI: 10.7270/Q2RX9D6T
					More data for this Ligand-Target Pair