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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 = 'BDBM50355512'   
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))
BDBM50355512
PNG
(CHEMBL1910314)
Show SMILES Cn1ncnc1Cn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c2c(F)cccc12 |r|
Show InChI InChI=1S/C28H29F3N6O2/c1-35-25(33-16-34-35)15-36-13-17(26-22(30)3-2-4-24(26)36)14-37(19-6-7-19)27(38)20-12-32-10-9-28(20,39)18-5-8-21(29)23(31)11-18/h2-5,8,11,13,16,19-20,32,39H,6-7,9-10,12,14-15H2,1H3/t20-,28+/m1/s1
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PC cid
PC sid
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Article
PubMed
4.40E+3n/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: 3976-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.014
BindingDB Entry DOI: 10.7270/Q21N81HN
More data for this
Ligand-Target Pair