BDBM50395709 CHEMBL2164087

SMILES: Cc1nc(CNc2nc(NCCC=C)nc(n2)N2CCC[C@@H]2CNS(=O)(=O)c2ccc(cc2)C(F)(F)F)cs1

InChI Key: InChIKey=HHJXHPGHWQBYAU-LJQANCHMSA-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 = 50395709   

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))	BDBM50395709 (CHEMBL2164087) Show SMILES Cc1nc(CNc2nc(NCCC=C)nc(n2)N2CCC[C@@H]2CNS(=O)(=O)c2ccc(cc2)C(F)(F)F)cs1 |r| Show InChI InChI=1S/C24H29F3N8O2S2/c1-3-4-11-28-21-32-22(29-13-18-15-38-16(2)31-18)34-23(33-21)35-12-5-6-19(35)14-30-39(36,37)20-9-7-17(8-10-20)24(25,26)27/h3,7-10,15,19,30H,1,4-6,11-14H2,2H3,(H2,28,29,32,33,34)/t19-/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	430	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