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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 = 'BDBM50016948'   
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))
BDBM50016948
PNG
(CHEMBL3286739)
Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1
Show InChI InChI=1S/C19H21N5O3/c20-14-3-1-2-4-15(14)23-17(25)13-5-6-16(21-11-13)24-9-7-19(8-10-24)12-22-18(26)27-19/h1-6,11H,7-10,12,20H2,(H,22,26)(H,23,25)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


ACS Med Chem Lett 5: 340-5 (2014)


Article DOI: 10.1021/ml4004233
BindingDB Entry DOI: 10.7270/Q2HH6MM7
More data for this
Ligand-Target Pair