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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 = 'BDBM50221977'   
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))
BDBM50221977
PNG
((2S,3S)-2-amino-3-(4'-fluoro-biphenyl-4-yl)-1-((S)...)
Show SMILES C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H22F2N2O/c1-13(19(23)20(25)24-11-10-18(22)12-24)14-2-4-15(5-3-14)16-6-8-17(21)9-7-16/h2-9,13,18-19H,10-12,23H2,1H3/t13-,18-,19-/m0/s1
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Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem 17: 1783-802 (2009)


Article DOI: 10.1016/j.bmc.2009.01.061
BindingDB Entry DOI: 10.7270/Q2VD70DJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50221977
PNG
((2S,3S)-2-amino-3-(4'-fluoro-biphenyl-4-yl)-1-((S)...)
Show SMILES C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H22F2N2O/c1-13(19(23)20(25)24-11-10-18(22)12-24)14-2-4-15(5-3-14)16-6-8-17(21)9-7-16/h2-9,13,18-19H,10-12,23H2,1H3/t13-,18-,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 17: 5806-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN
More data for this
Ligand-Target Pair