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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50402107   
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))
BDBM50402107
PNG
(CHEMBL2207663)
Show SMILES Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1 |r|
Show InChI InChI=1S/C22H25ClF3N3O4/c1-13-8-14(23)2-3-19(13)33-16-4-6-29(7-5-16)12-15(30)10-28-21(32)17-11-27-20(31)9-18(17)22(24,25)26/h2-3,8-9,11,15-16,30H,4-7,10,12H2,1H3,(H,27,31)(H,28,32)/t15-/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



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 3,7-Bis[2-(4-nitro[3,5]-[3H]phenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane from human ERG expressed in HEK cells after 3hrs


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402107
PNG
(CHEMBL2207663)
Show SMILES Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1 |r|
Show InChI InChI=1S/C22H25ClF3N3O4/c1-13-8-14(23)2-3-19(13)33-16-4-6-29(7-5-16)12-15(30)10-28-21(32)17-11-27-20(31)9-18(17)22(24,25)26/h2-3,8-9,11,15-16,30H,4-7,10,12H2,1H3,(H,27,31)(H,28,32)/t15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells by ion flux assay


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair