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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Potassium voltage-gated channel subfamily H member 2' and Ligand = 'BDBM50537234'   
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))
BDBM50537234
PNG
(CHEMBL4553146)
Show SMILES COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@@H](c1cc2cc(Br)ccc2nc1OC)c1cc(OC)nc(OC)c1OC |r|
Show InChI InChI=1S/C31H37BrN4O7/c1-36(2)12-11-31(37,19-15-24(38-3)34-25(16-19)39-4)27(21-17-26(40-5)35-30(43-8)28(21)41-6)22-14-18-13-20(32)9-10-23(18)33-29(22)42-7/h9-10,13-17,27,37H,11-12H2,1-8H3/t27-,31-/m1/s1
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MCE
PC cid
PC sid
PDB
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50537234
PNG
(CHEMBL4553146)
Show SMILES COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@@H](c1cc2cc(Br)ccc2nc1OC)c1cc(OC)nc(OC)c1OC |r|
Show InChI InChI=1S/C31H37BrN4O7/c1-36(2)12-11-31(37,19-15-24(38-3)34-25(16-19)39-4)27(21-17-26(40-5)35-30(43-8)28(21)41-6)22-14-18-13-20(32)9-10-23(18)33-29(22)42-7/h9-10,13-17,27,37H,11-12H2,1-8H3/t27-,31-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Auckland Cancer Society Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem 27: 1292-1307 (2019)


Article DOI: 10.1016/j.bmc.2019.02.026
BindingDB Entry DOI: 10.7270/Q23J3HGP
More data for this
Ligand-Target Pair