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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 = 'BDBM50538096'   
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))
BDBM50538096
PNG
(CHEMBL4641672)
Show SMILES O=C(Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12)N1CCOCC1
Show InChI InChI=1S/C22H25N5O3/c28-22(26-7-11-30-12-8-26)25-21-13-16(1-6-24-21)19-15-27(17-3-9-29-10-4-17)20-14-23-5-2-18(19)20/h1-2,5-6,13-15,17H,3-4,7-12H2,(H,24,25,28)
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+4n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50538096
PNG
(CHEMBL4641672)
Show SMILES O=C(Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12)N1CCOCC1
Show InChI InChI=1S/C22H25N5O3/c28-22(26-7-11-30-12-8-26)25-21-13-16(1-6-24-21)19-15-27(17-3-9-29-10-4-17)20-14-23-5-2-18(19)20/h1-2,5-6,13-15,17H,3-4,7-12H2,(H,24,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.41E+4n/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