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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Potassium voltage-gated channel subfamily H member 2' and Ligand = 'BDBM294231'   
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))
BDBM294231
PNG
(US9586942, 5*)
Show SMILES CCCS(=O)(=O)NC1CN(C1)c1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1
Show InChI InChI=1S/C26H35N3O2S/c1-2-15-32(30,31)27-22-18-29(19-22)23-11-9-21-10-12-26(28-13-6-14-28)25(24(21)17-23)16-20-7-4-3-5-8-20/h3-5,7-9,11,17,22,25-27H,2,6,10,12-16,18-19H2,1H3/t25-,26+/m1/s1
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 6.80E+3n/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 61: 7503-7524 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00300
BindingDB Entry DOI: 10.7270/Q2W66P9B
More data for this
Ligand-Target Pair