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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 = 'BDBM50538093'   
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))
BDBM50538093
PNG
(CHEMBL4645474)
Show SMILES O=C(NC1CC1)Nc1cc(ccn1)-c1cn(-c2ccccc2)c2cnccc12
Show InChI InChI=1S/C22H19N5O/c28-22(25-16-6-7-16)26-21-12-15(8-11-24-21)19-14-27(17-4-2-1-3-5-17)20-13-23-10-9-18(19)20/h1-5,8-14,16H,6-7H2,(H2,24,25,26,28)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of human ERG by Qpatch S8 assay


J Med Chem 63: 2958-2973 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01624
BindingDB Entry DOI: 10.7270/Q2WQ079V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50538093
PNG
(CHEMBL4645474)
Show SMILES O=C(NC1CC1)Nc1cc(ccn1)-c1cn(-c2ccccc2)c2cnccc12
Show InChI InChI=1S/C22H19N5O/c28-22(25-16-6-7-16)26-21-12-15(8-11-24-21)19-14-27(17-4-2-1-3-5-17)20-13-23-10-9-18(19)20/h1-5,8-14,16H,6-7H2,(H2,24,25,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells incubated for 90 mins by microbeta scintillation counting method


J Med Chem 63: 2958-2973 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01624
BindingDB Entry DOI: 10.7270/Q2WQ079V
More data for this
Ligand-Target Pair