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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 = 'BDBM50389591'   
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))
BDBM50389591
PNG
(CHEMBL2069504)
Show SMILES C1CC(CO1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H24N4O/c1-2-6-15(7-3-1)21-13-25-24(28-21)20-12-18-17-8-4-5-9-19(17)26-23(18)22(27-20)16-10-11-29-14-16/h1-9,13,16,20,22,26-27H,10-12,14H2,(H,25,28)/t16?,20-,22?/m1/s1
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Article
PubMed
n/an/a 64n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human Erg expressed in HEK293 cells after 60 mins by scintillation counting


ACS Med Chem Lett 3: 289-293 (2012)


Article DOI: 10.1021/ml200272z
BindingDB Entry DOI: 10.7270/Q2K938MH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50389591
PNG
(CHEMBL2069504)
Show SMILES C1CC(CO1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H24N4O/c1-2-6-15(7-3-1)21-13-25-24(28-21)20-12-18-17-8-4-5-9-19(17)26-23(18)22(27-20)16-10-11-29-14-16/h1-9,13,16,20,22,26-27H,10-12,14H2,(H,25,28)/t16?,20-,22?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 64n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human Erg expressed in HEK293 cells after 60 mins by scintillation counting


ACS Med Chem Lett 3: 289-293 (2012)


Article DOI: 10.1021/ml200272z
BindingDB Entry DOI: 10.7270/Q2K938MH
More data for this
Ligand-Target Pair