BDBM50082391 CHEMBL3422965

SMILES: COc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1F

InChI Key: InChIKey=NACWNTSDETVYGS-UHFFFAOYSA-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 = 50082391   

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))	BDBM50082391 (CHEMBL3422965) Show SMILES COc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1F |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-3.75,-1.39,)| Show InChI InChI=1S/C26H28FN5O4/c1-34-24-18(27)12-19-22(32-24)16(5-11-28-19)4-6-26-9-7-25(8-10-26,15-36-26)29-13-17-2-3-20-23(30-17)31-21(33)14-35-20/h2-3,5,11-12,29H,4,6-10,13-15H2,1H3,(H,30,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK499 binding to human ERG				Bioorg Med Chem Lett 25: 2409-15 (2015) Article DOI: 10.1016/j.bmcl.2015.04.002 BindingDB Entry DOI: 10.7270/Q2CN75MC
					More data for this Ligand-Target Pair