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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 = 'BDBM50016942'   
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))
BDBM50016942
PNG
(CHEMBL3286733)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1)-c1ccsc1
Show InChI InChI=1S/C23H23N5O3S/c24-18-3-1-15(17-5-10-32-13-17)11-19(18)27-21(29)16-2-4-20(25-12-16)28-8-6-23(7-9-28)14-26-22(30)31-23/h1-5,10-13H,6-9,14,24H2,(H,26,30)(H,27,29)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
>3.00E+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