null

SMILES: COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(Cc2ccc(F)cc2)C2C3CC4CC(C3)CC2C4)nn1

InChI Key: InChIKey=SXAROQNHORDUFM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50381445   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50381445 (CHEMBL2017413) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(Cc2ccc(F)cc2)C2C3CC4CC(C3)CC2C4)nn1 |TLB:38:37:35:31.32.33,20:29:31.38.32:36.34.35,THB:38:32:29.37.36:35,33:32:29:36.34.35,33:34:29:31.38.32,20:29:35:31.32.33,(27.35,-8.32,;27.35,-9.86,;28.68,-10.63,;30.01,-9.86,;31.35,-10.63,;31.35,-12.18,;30.01,-12.95,;28.68,-12.18,;27.35,-12.94,;25.95,-12.32,;24.92,-13.46,;25.69,-14.79,;25.06,-16.2,;27.19,-14.48,;32.67,-9.85,;34.08,-10.47,;35.11,-9.33,;36.65,-9.35,;37.44,-8.03,;36.69,-6.68,;38.98,-8.06,;39.77,-6.74,;39.02,-5.39,;39.82,-4.08,;39.08,-2.73,;37.53,-2.71,;36.78,-1.36,;36.74,-4.04,;37.49,-5.38,;39.73,-9.4,;40.92,-8.13,;42.25,-8.61,;43.65,-8.26,;43.66,-6.73,;42.26,-6.16,;40.92,-6.63,;41.22,-7.39,;41.23,-8.98,;42.63,-9.54,;34.33,-8,;32.83,-8.32,)| Show InChI InChI=1S/C32H35FN6O2/c1-20-15-37(19-34-20)29-8-5-24(14-30(29)41-2)28-17-38(36-35-28)18-31(40)39(16-21-3-6-27(33)7-4-21)32-25-10-22-9-23(12-25)13-26(32)11-22/h3-8,14-15,17,19,22-23,25-26,32H,9-13,16,18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Boston Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 22: 3140-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.054 BindingDB Entry DOI: 10.7270/Q24Q7W0H
					More data for this Ligand-Target Pair