BDBM50254149 CHEMBL4101570

SMILES: COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3ccno3)c2c1

InChI Key: InChIKey=OUXHDPHMPDVMLS-AUVZLTIHSA-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 = 50254149   

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))	BDBM50254149 (CHEMBL4101570) Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3ccno3)c2c1 |r,wU:11.11,15.14,20.21,(2.78,-30.75,;4.11,-29.98,;5.44,-30.75,;5.43,-32.29,;6.77,-33.06,;8.1,-32.28,;9.44,-33.05,;10.77,-32.28,;10.77,-30.73,;12.1,-29.95,;9.43,-29.97,;9.42,-28.43,;8.08,-27.66,;10.75,-27.65,;12.09,-28.42,;13.42,-27.64,;14.76,-28.41,;16.07,-27.64,;16.07,-26.1,;14.74,-25.33,;13.41,-26.1,;12.07,-25.34,;10.74,-26.12,;12.06,-23.8,;17.41,-25.33,;18.89,-25.73,;19.28,-24.24,;17.8,-23.85,;20.61,-23.46,;22.02,-24.09,;23.05,-22.94,;22.28,-21.6,;20.77,-21.93,;8.1,-30.74,;6.77,-29.98,)| Show InChI InChI=1S/C26H30FN3O5/c1-34-18-3-4-22-19(12-18)25(21(27)13-28-22)23(31)5-2-15-7-9-30(14-20(15)26(32)33)17-10-16(11-17)24-6-8-29-35-24/h3-4,6,8,12-13,15-17,20,23,31H,2,5,7,9-11,14H2,1H3,(H,32,33)/t15-,16?,17?,20+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Research and Development, Groton, CT 06340, USA. Electronic address: mitton-fry.1@osu.edu. Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 27: 3353-3358 (2017) Article DOI: 10.1016/j.bmcl.2017.06.009 BindingDB Entry DOI: 10.7270/Q21R6SZV
					More data for this Ligand-Target Pair