BDBM50395699 CHEMBL2164098

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

InChI Key: InChIKey=KDSPWSIGYJMQHJ-HXUWFJFHSA-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 = 50395699   

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))	BDBM50395699 (CHEMBL2164098) Show SMILES CCCCNc1nc(NC(C)C)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(CCC)cc1 |r| Show InChI InChI=1S/C24H39N7O2S/c1-5-7-15-25-22-28-23(27-18(3)4)30-24(29-22)31-16-8-10-20(31)17-26-34(32,33)21-13-11-19(9-6-2)12-14-21/h11-14,18,20,26H,5-10,15-17H2,1-4H3,(H2,25,27,28,29,30)/t20-/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	5.80E+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