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BDBM50061221 2-(3,5-Dichloro-phenyl)-N-[(R)-2-oxo-5-phenyl-1-(2,2,2-trifluoro-ethyl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-acetamide::CHEMBL339327

SMILES: FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)Cc2cc(Cl)cc(Cl)c2)C1=O)c1ccccc1

InChI Key: InChIKey=CUYBFAFDHAPZGW-HSZRJFAPSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50061221   
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))
BDBM50061221
PNG
(2-(3,5-Dichloro-phenyl)-N-[(R)-2-oxo-5-phenyl-1-(2...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)Cc2cc(Cl)cc(Cl)c2)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C25H18Cl2F3N3O2/c26-17-10-15(11-18(27)13-17)12-21(34)31-23-24(35)33(14-25(28,29)30)20-9-5-4-8-19(20)22(32-23)16-6-2-1-3-7-16/h1-11,13,23H,12,14H2,(H,31,34)/t23-/m1/s1
PDB
MMDB

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Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Ikr current in isolated guinea pig myocytes during a 0.5 s voltage clamp step from -50 to -10 mV.


J Med Chem 40: 3865-8 (1998)


Article DOI: 10.1021/jm970517u
BindingDB Entry DOI: 10.7270/Q2Q81C6H
More data for this
Ligand-Target Pair