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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 = 'BDBM50461671'   
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))
BDBM50461671
PNG
(GS-333126 | GS-9190 | Tegobuvir)
Show SMILES Fc1ccccc1-c1nc2ccn(Cc3ccc(nn3)-c3ccc(cc3C(F)(F)F)C(F)(F)F)cc2n1
Show InChI InChI=1S/C25H14F7N5/c26-19-4-2-1-3-17(19)23-33-21-9-10-37(13-22(21)34-23)12-15-6-8-20(36-35-15)16-7-5-14(24(27,28)29)11-18(16)25(30,31)32/h1-11,13H,12H2
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells


J Med Chem 57: 1964-75 (2014)


Article DOI: 10.1021/jm401337x
BindingDB Entry DOI: 10.7270/Q2DZ0C9K
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50461671
PNG
(GS-333126 | GS-9190 | Tegobuvir)
Show SMILES Fc1ccccc1-c1nc2ccn(Cc3ccc(nn3)-c3ccc(cc3C(F)(F)F)C(F)(F)F)cc2n1
Show InChI InChI=1S/C25H14F7N5/c26-19-4-2-1-3-17(19)23-33-21-9-10-37(13-22(21)34-23)12-15-6-8-20(36-35-15)16-7-5-14(24(27,28)29)11-18(16)25(30,31)32/h1-11,13H,12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 794n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem 26: 2621-2631 (2018)


Article DOI: 10.1016/j.bmc.2018.04.029
BindingDB Entry DOI: 10.7270/Q27H1N7B
More data for this
Ligand-Target Pair