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BDBM50252150 (S)-4-(2,5-difluorophenyl)-N-((3S,4S)-3-fluoro-1-methylpiperidin-4-yl)-2-(hydroxymethyl)-N-methyl-2-phenyl-2H-pyrrole-1(5H)-carboxamide::CHEMBL481932

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

InChI Key: InChIKey=MYBGWENAVMIGMM-SONWIMMPSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50252150   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50252150
PNG
((S)-4-(2,5-difluorophenyl)-N-((3S,4S)-3-fluoro-1-m...)
Show SMILES CN([C@H]1CCN(C)C[C@@H]1F)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F |r,c:15|
Show InChI InChI=1S/C25H28F3N3O2/c1-29-11-10-23(22(28)15-29)30(2)24(33)31-14-17(20-12-19(26)8-9-21(20)27)13-25(31,16-32)18-6-4-3-5-7-18/h3-9,12-13,22-23,32H,10-11,14-16H2,1-2H3/t22-,23-,25+/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 3.69E+4n/an/an/an/an/an/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
More data for this
Ligand-Target Pair