BDBM50252045 (S)-4-(2,5-difluorophenyl)-2-(hydroxymethyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5dihydro-1H-pyrrole-1-carboxamide::CHEMBL518148

SMILES: CN(C1CCNCC1)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F

InChI Key: InChIKey=VZBXWCRSKIZNLD-XMMPIXPASA-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 = 50252045   

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))	BDBM50252045 ((S)-4-(2,5-difluorophenyl)-2-(hydroxymethyl)-N-met...) Show SMILES CN(C1CCNCC1)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F |r,c:13| Show InChI InChI=1S/C24H27F2N3O2/c1-28(20-9-11-27-12-10-20)23(31)29-15-17(21-13-19(25)7-8-22(21)26)14-24(29,16-30)18-5-3-2-4-6-18/h2-8,13-14,20,27,30H,9-12,15-16H2,1H3/t24-/m1/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	1.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]MK499 from human ERG expressed in HEL cells				J Med Chem 51: 4239-52 (2008) Article DOI: 10.1021/jm800386y BindingDB Entry DOI: 10.7270/Q26D5SSB
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