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PubMed code 22853997

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50390209
PNG
(CHEMBL2070131)
Show SMILES COc1cnc(nc1NCc1ccccc1F)-c1ccccn1
Show InChI InChI=1S/C17H15FN4O/c1-23-15-11-21-16(14-8-4-5-9-19-14)22-17(15)20-10-12-6-2-3-7-13(12)18/h2-9,11H,10H2,1H3,(H,20,21,22)
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Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by Rb efflux assay


Bioorg Med Chem Lett 22: 5681-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.087
BindingDB Entry DOI: 10.7270/Q25X2B0C
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50390211
PNG
(CHEMBL2070134)
Show SMILES COc1cnc(nc1NCc1ccc(F)cc1C(F)(F)F)-c1ccccn1
Show InChI InChI=1S/C18H14F4N4O/c1-27-15-10-25-16(14-4-2-3-7-23-14)26-17(15)24-9-11-5-6-12(19)8-13(11)18(20,21)22/h2-8,10H,9H2,1H3,(H,24,25,26)
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Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by Rb efflux assay


Bioorg Med Chem Lett 22: 5681-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.087
BindingDB Entry DOI: 10.7270/Q25X2B0C
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50390210
PNG
(CHEMBL2070133)
Show SMILES COc1cnc(nc1NCc1c(F)cc(F)cc1F)-c1ccccn1
Show InChI InChI=1S/C17H13F3N4O/c1-25-15-9-23-16(14-4-2-3-5-21-14)24-17(15)22-8-11-12(19)6-10(18)7-13(11)20/h2-7,9H,8H2,1H3,(H,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by Rb efflux assay


Bioorg Med Chem Lett 22: 5681-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.087
BindingDB Entry DOI: 10.7270/Q25X2B0C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%