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PubMed code 25007124

Compile data set for download or QSAR
Found 6 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))
BDBM50099957
PNG
(CHEMBL3321871)
Show SMILES CN1CCN(CC1)c1ccc2nc(Nc3ccc(Br)cn3)[nH]c2c1
Show InChI InChI=1S/C17H19BrN6/c1-23-6-8-24(9-7-23)13-3-4-14-15(10-13)21-17(20-14)22-16-5-2-12(18)11-19-16/h2-5,10-11H,6-9H2,1H3,(H2,19,20,21,22)
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Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 57: 6642-52 (2014)


Article DOI: 10.1021/jm500715u
BindingDB Entry DOI: 10.7270/Q2377BG1
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50100083
PNG
(CHEMBL3321972)
Show SMILES CN1CCC(CC1)c1ccc2nc(Nc3ccc(cn3)C(F)(F)F)[nH]c2c1
Show InChI InChI=1S/C19H20F3N5/c1-27-8-6-12(7-9-27)13-2-4-15-16(10-13)25-18(24-15)26-17-5-3-14(11-23-17)19(20,21)22/h2-5,10-12H,6-9H2,1H3,(H2,23,24,25,26)
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n/an/a 4.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 57: 6642-52 (2014)


Article DOI: 10.1021/jm500715u
BindingDB Entry DOI: 10.7270/Q2377BG1
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50100015
PNG
(CHEMBL3321968)
Show SMILES CN1CCN(CC1)c1cc(Cl)c2nc(Nc3ccc(Br)cn3)[nH]c2c1
Show InChI InChI=1S/C17H18BrClN6/c1-24-4-6-25(7-5-24)12-8-13(19)16-14(9-12)21-17(23-16)22-15-3-2-11(18)10-20-15/h2-3,8-10H,4-7H2,1H3,(H2,20,21,22,23)
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n/an/a 7.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 57: 6642-52 (2014)


Article DOI: 10.1021/jm500715u
BindingDB Entry DOI: 10.7270/Q2377BG1
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50100085
PNG
(CHEMBL3321980)
Show SMILES CN1CCN(CC1)c1cc2[nH]c(Nc3cc(C4CC4)c(F)c(C)n3)nc2cn1
Show InChI InChI=1S/C20H24FN7/c1-12-19(21)14(13-3-4-13)9-17(23-12)26-20-24-15-10-18(22-11-16(15)25-20)28-7-5-27(2)6-8-28/h9-11,13H,3-8H2,1-2H3,(H2,23,24,25,26)
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n/an/a 8.80E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 57: 6642-52 (2014)


Article DOI: 10.1021/jm500715u
BindingDB Entry DOI: 10.7270/Q2377BG1
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50099958
PNG
(CHEMBL3321873)
Show SMILES CN1CCN(CC1)c1ccc2nc(Nc3ccc(C)cn3)[nH]c2c1
Show InChI InChI=1S/C18H22N6/c1-13-3-6-17(19-12-13)22-18-20-15-5-4-14(11-16(15)21-18)24-9-7-23(2)8-10-24/h3-6,11-12H,7-10H2,1-2H3,(H2,19,20,21,22)
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n/an/a 1.27E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 57: 6642-52 (2014)


Article DOI: 10.1021/jm500715u
BindingDB Entry DOI: 10.7270/Q2377BG1
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50100084
PNG
(CHEMBL3321963)
Show SMILES CN1CCN(Cc2ccc3nc(Nc4ccc(cn4)C(F)(F)F)[nH]c3c2)CC1
Show InChI InChI=1S/C19H21F3N6/c1-27-6-8-28(9-7-27)12-13-2-4-15-16(10-13)25-18(24-15)26-17-5-3-14(11-23-17)19(20,21)22/h2-5,10-11H,6-9,12H2,1H3,(H2,23,24,25,26)
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n/an/a 2.15E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 57: 6642-52 (2014)


Article DOI: 10.1021/jm500715u
BindingDB Entry DOI: 10.7270/Q2377BG1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%