BDBM50395704 CHEMBL2164092

SMILES: CCCCNc1nc(NCc2cccc(C)n2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(CCC)cc1

InChI Key: InChIKey=RISSVAOTOJMTKY-XMMPIXPASA-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 = 50395704   

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))	BDBM50395704 (CHEMBL2164092) Show SMILES CCCCNc1nc(NCc2cccc(C)n2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(CCC)cc1 |r| Show InChI InChI=1S/C28H40N8O2S/c1-4-6-17-29-26-33-27(30-19-23-11-7-10-21(3)32-23)35-28(34-26)36-18-8-12-24(36)20-31-39(37,38)25-15-13-22(9-5-2)14-16-25/h7,10-11,13-16,24,31H,4-6,8-9,12,17-20H2,1-3H3,(H2,29,30,33,34,35)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	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