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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 = 'BDBM50266776'   
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))
BDBM50266776
PNG
(CHEMBL4066553)
Show SMILES CC1(COc2ccc(OC(F)(F)F)cc2)CCn2cc(nc2O1)[N+]([O-])=O
Show InChI InChI=1S/C15H14F3N3O5/c1-14(6-7-20-8-12(21(22)23)19-13(20)26-14)9-24-10-2-4-11(5-3-10)25-15(16,17)18/h2-5,8H,6-7,9H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112914
BindingDB Entry DOI: 10.7270/Q28P64D9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50266776
PNG
(CHEMBL4066553)
Show SMILES CC1(COc2ccc(OC(F)(F)F)cc2)CCn2cc(nc2O1)[N+]([O-])=O
Show InChI InChI=1S/C15H14F3N3O5/c1-14(6-7-20-8-12(21(22)23)19-13(20)26-14)9-24-10-2-4-11(5-3-10)25-15(16,17)18/h2-5,8H,6-7,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells by patch clamp method


J Med Chem 60: 4212-4233 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00034
BindingDB Entry DOI: 10.7270/Q20867T9
More data for this
Ligand-Target Pair