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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 = 'BDBM50340415'   
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))
BDBM50340415
PNG
(3-(3-(((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro...)
Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCC(C)(C)C(O)=O)c1 |r|
Show InChI InChI=1S/C40H50Cl2N2O7/c1-26-18-35(41)37(36(42)19-26)50-17-16-49-31-11-7-29(8-12-31)33-13-14-43-23-34(33)38(45)44(30-9-10-30)24-28-20-27(6-5-15-48-4)21-32(22-28)51-25-40(2,3)39(46)47/h7-8,11-12,18-22,30,33-34,43H,5-6,9-10,13-17,23-25H2,1-4H3,(H,46,47)/t33-,34+/m1/s1
PDB
MMDB

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PC cid
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Article
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600n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 2430-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.067
BindingDB Entry DOI: 10.7270/Q2G16157
More data for this
Ligand-Target Pair