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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 = 'BDBM50540860'   
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))
BDBM50540860
PNG
(CHEMBL4645423)
Show SMILES COc1nc(cc2O[C@]3([C@@H]([C@@H](CN(C)C)[C@@H](O)[C@@]3(O)c12)c1ccccc1)c1ccc(cc1)C#N)C#N |r|
Show InChI InChI=1S/C28H26N4O4/c1-32(2)16-21-23(18-7-5-4-6-8-18)28(19-11-9-17(14-29)10-12-19)27(34,25(21)33)24-22(36-28)13-20(15-30)31-26(24)35-3/h4-13,21,23,25,33-34H,16H2,1-3H3/t21-,23-,25-,27+,28+/m1/s1
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PC cid
PC sid
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Inception Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch-clamp assay


J Med Chem 63: 5879-5955 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00182
BindingDB Entry DOI: 10.7270/Q2MC93K8
More data for this
Ligand-Target Pair