BDBM50395705 CHEMBL2164091

SMILES: CCCCNc1nc(NCc2cc(cs2)C#N)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(CCC)cc1

InChI Key: InChIKey=PIQMOJPUPKMVLE-JOCHJYFZSA-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 = 50395705   

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))	BDBM50395705 (CHEMBL2164091) Show SMILES CCCCNc1nc(NCc2cc(cs2)C#N)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(CCC)cc1 |r| Show InChI InChI=1S/C27H36N8O2S2/c1-3-5-13-29-25-32-26(30-18-23-15-21(16-28)19-38-23)34-27(33-25)35-14-6-8-22(35)17-31-39(36,37)24-11-9-20(7-4-2)10-12-24/h9-12,15,19,22,31H,3-8,13-14,17-18H2,1-2H3,(H2,29,30,32,33,34)/t22-/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	4.10E+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