BDBM50395717 CHEMBL2164110

SMILES: CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC2CC2)nc(NCc2csc(n2)-c2ccccc2)n1

InChI Key: InChIKey=KEDJTYJBSLCPJW-HHHXNRCGSA-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 = 50395717   

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))	BDBM50395717 (CHEMBL2164110) Show SMILES CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC2CC2)nc(NCc2csc(n2)-c2ccccc2)n1 |r| Show InChI InChI=1S/C32H40N8O2S2/c1-2-7-23-13-15-28(16-14-23)44(41,42)35-21-27-10-6-19-40(27)32-38-30(33-18-17-24-11-12-24)37-31(39-32)34-20-26-22-43-29(36-26)25-8-4-3-5-9-25/h3-5,8-9,13-16,22,24,27,35H,2,6-7,10-12,17-21H2,1H3,(H2,33,34,37,38,39)/t27-/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	3.80E+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