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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 = 'BDBM50340425'   
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))
BDBM50340425
PNG
((1S,2S)-2-((3-(((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6...)
Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CN(CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C(=O)OCc2oc(=O)oc2C)cc(OC[C@H]2C[C@@H]2C(O)=O)c1 |r|
Show InChI InChI=1S/C46H52Cl2N2O12/c1-27-17-39(47)42(40(48)18-27)58-16-15-57-34-10-6-31(7-11-34)36-12-13-49(45(54)60-26-41-28(2)61-46(55)62-41)24-38(36)43(51)50(33-8-9-33)23-30-19-29(5-4-14-56-3)20-35(21-30)59-25-32-22-37(32)44(52)53/h6-7,10-11,17-21,32-33,36-38H,4-5,8-9,12-16,22-26H2,1-3H3,(H,52,53)/t32-,36-,37+,38+/m1/s1
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MMDB

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PC cid
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Article
PubMed
3.70E+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: 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