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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 = 'BDBM50537220'   
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))
BDBM50537220
PNG
(CHEMBL4529465)
Show SMILES COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC |r|
Show InChI InChI=1S/C30H33BrFN3O5/c1-35(2)13-12-30(36,19-16-25(38-4)34-26(17-19)39-5)27(21-8-7-9-24(37-3)28(21)32)22-15-18-14-20(31)10-11-23(18)33-29(22)40-6/h7-11,14-17,27,36H,12-13H2,1-6H3/t27-,30-/m1/s1
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MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.30E+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))
BDBM50537220
PNG
(CHEMBL4529465)
Show SMILES COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC |r|
Show InChI InChI=1S/C30H33BrFN3O5/c1-35(2)13-12-30(36,19-16-25(38-4)34-26(17-19)39-5)27(21-8-7-9-24(37-3)28(21)32)22-15-18-14-20(31)10-11-23(18)33-29(22)40-6/h7-11,14-17,27,36H,12-13H2,1-6H3/t27-,30-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.30E+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