BDBM50068015 CHEMBL3402184

SMILES: O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)c(Cl)nc3ccc2=O

InChI Key: InChIKey=IUXGIZBYBCQVPB-WNMGUVTHSA-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 = 50068015   

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))	BDBM50068015 (CHEMBL3402184) Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)c(Cl)nc3ccc2=O |r,wU:1.0,(-2.22,2.32,;-1,2.53,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;.92,2.51,;1.32,1,;,.24,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-3.69,-1.88,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,)| Show InChI InChI=1S/C26H25ClFN5O5/c27-22-20(28)19-21-15(31-22)2-4-18(35)33(21)12-26(19,36)11-25-7-5-24(6-8-25,13-38-25)29-9-14-1-3-16-23(30-14)32-17(34)10-37-16/h1-4,29,36H,5-13H2,(H,30,32,34)/t24?,25?,26-/m0/s1	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	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human ERG by MK499 binding assay				Bioorg Med Chem Lett 25: 1831-5 (2015) Article DOI: 10.1016/j.bmcl.2015.03.044 BindingDB Entry DOI: 10.7270/Q2T43VS7
					More data for this Ligand-Target Pair