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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Potassium voltage-gated channel subfamily H member 2' and Ligand = 'BDBM50359191'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50359191
PNG
(CHEMBL1923128)
Show SMILES CCN(CC)CCCc1cc(CCCOC)cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1Cl |r|
Show InChI InChI=1S/C34H46ClF2N3O3/c1-4-39(5-2)14-6-9-24-16-23(8-7-15-42-3)17-25(32(24)35)21-40(27-10-11-27)33(41)29-20-38-13-12-34(29)28-19-31(37)30(36)18-26(28)22-43-34/h16-19,27,29,38H,4-15,20-22H2,1-3H3/t29-,34+/m1/s1
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
1.20E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair