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BDBM50118109 CHEMBL3613448

SMILES: CC(C)[C@@H](CN1CCC(C)(CC1)c1cccc(F)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1

InChI Key: InChIKey=YXEYEIMEKLYKKR-JWQCQUIFSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50118109   
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))
BDBM50118109
PNG
(CHEMBL3613448)
Show SMILES CC(C)[C@@H](CN1CCC(C)(CC1)c1cccc(F)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
Show InChI InChI=1S/C27H36FN3O2/c1-18(2)25(30-26(33)24-14-19-7-8-23(32)13-20(19)16-29-24)17-31-11-9-27(3,10-12-31)21-5-4-6-22(28)15-21/h4-8,13,15,18,24-25,29,32H,9-12,14,16-17H2,1-3H3,(H,30,33)/t24-,25-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
4.24E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-astemizole from human ERG


Bioorg Med Chem 23: 6379-88 (2015)


BindingDB Entry DOI: 10.7270/Q2C24Z7Z
More data for this
Ligand-Target Pair