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Compile Data Set for Download or QSAR

Found 14 hits from Eli Lilly and Company Lilly Research Laboratories   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50299272
PNG
(4-(6-(1H-indol-6-yloxy)-5-aminopyrazin-2-yl)-N-(py...)
Show SMILES Nc1ncc(nc1Oc1ccc2cc[nH]c2c1)-c1ccc(cc1)C(=O)NCC1CCNC1
Show InChI InChI=1S/C24H24N6O2/c25-22-24(32-19-6-5-17-8-10-27-20(17)11-19)30-21(14-28-22)16-1-3-18(4-2-16)23(31)29-13-15-7-9-26-12-15/h1-6,8,10-11,14-15,26-27H,7,9,12-13H2,(H2,25,28)(H,29,31)
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n/an/a 580n/an/an/an/an/an/a



Eli Lilly and Company Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK2 by [gamma-33-P]-ATP based assay


J Med Chem 52: 6456-66 (2009)


Article DOI: 10.1021/jm901147e
BindingDB Entry DOI: 10.7270/Q2TX3FFQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50299273
PNG
((R)-4-(6-(1H-indol-6-yloxy)-5-aminopyrazin-2-yl)-N...)
Show SMILES Nc1ncc(nc1Oc1ccc2cc[nH]c2c1)-c1ccc(cc1)C(=O)N[C@@H]1CCNC1
Show InChI InChI=1S/C23H22N6O2/c24-21-23(31-18-6-5-15-7-10-26-19(15)11-18)29-20(13-27-21)14-1-3-16(4-2-14)22(30)28-17-8-9-25-12-17/h1-7,10-11,13,17,25-26H,8-9,12H2,(H2,24,27)(H,28,30)/t17-/m1/s1
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n/an/a 610n/an/an/an/an/an/a



Eli Lilly and Company Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK2 by [gamma-33-P]-ATP based assay


J Med Chem 52: 6456-66 (2009)


Article DOI: 10.1021/jm901147e
BindingDB Entry DOI: 10.7270/Q2TX3FFQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50299274
PNG
(4-(6-(1H-indol-6-yloxy)-5-aminopyrazin-2-yl)-N-(pi...)
Show SMILES Nc1ncc(nc1Oc1ccc2cc[nH]c2c1)-c1ccc(cc1)C(=O)NC1CCNCC1
Show InChI InChI=1S/C24H24N6O2/c25-22-24(32-19-6-5-16-7-12-27-20(16)13-19)30-21(14-28-22)15-1-3-17(4-2-15)23(31)29-18-8-10-26-11-9-18/h1-7,12-14,18,26-27H,8-11H2,(H2,25,28)(H,29,31)
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n/an/a 800n/an/an/an/an/an/a



Eli Lilly and Company Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK2 by [gamma-33-P]-ATP based assay


J Med Chem 52: 6456-66 (2009)


Article DOI: 10.1021/jm901147e
BindingDB Entry DOI: 10.7270/Q2TX3FFQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50299275
PNG
(4-(6-(1H-indol-6-yloxy)-5-aminopyrazin-2-yl)-N-(pi...)
Show SMILES Nc1ncc(nc1Oc1ccc2cc[nH]c2c1)-c1ccc(cc1)C(=O)NCC1CCCNC1
Show InChI InChI=1S/C25H26N6O2/c26-23-25(33-20-8-7-18-9-11-28-21(18)12-20)31-22(15-29-23)17-3-5-19(6-4-17)24(32)30-14-16-2-1-10-27-13-16/h3-9,11-12,15-16,27-28H,1-2,10,13-14H2,(H2,26,29)(H,30,32)
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n/an/a 890n/an/an/an/an/an/a



Eli Lilly and Company Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK2 by [gamma-33-P]-ATP based assay


J Med Chem 52: 6456-66 (2009)


Article DOI: 10.1021/jm901147e
BindingDB Entry DOI: 10.7270/Q2TX3FFQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50299270
PNG
(4-(6-(1H-indol-6-yloxy)-5-aminopyrazin-2-yl)-N-(py...)
Show SMILES Nc1ncc(nc1Oc1ccc2cc[nH]c2c1)-c1ccc(cc1)C(=O)NCC1CCCN1
Show InChI InChI=1S/C24H24N6O2/c25-22-24(32-19-8-7-16-9-11-27-20(16)12-19)30-21(14-28-22)15-3-5-17(6-4-15)23(31)29-13-18-2-1-10-26-18/h3-9,11-12,14,18,26-27H,1-2,10,13H2,(H2,25,28)(H,29,31)
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n/an/a 960n/an/an/an/an/an/a



Eli Lilly and Company Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK2 by [gamma-33-P]-ATP based assay


J Med Chem 52: 6456-66 (2009)


Article DOI: 10.1021/jm901147e
BindingDB Entry DOI: 10.7270/Q2TX3FFQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50299271
PNG
(4-(6-(1H-indol-6-yloxy)-5-aminopyrazin-2-yl)-N-(pi...)
Show SMILES Nc1ncc(nc1Oc1ccc2cc[nH]c2c1)-c1ccc(cc1)C(=O)NCC1CCNCC1
Show InChI InChI=1S/C25H26N6O2/c26-23-25(33-20-6-5-18-9-12-28-21(18)13-20)31-22(15-29-23)17-1-3-19(4-2-17)24(32)30-14-16-7-10-27-11-8-16/h1-6,9,12-13,15-16,27-28H,7-8,10-11,14H2,(H2,26,29)(H,30,32)
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n/an/a 1.12E+3n/an/an/an/an/an/a



Eli Lilly and Company Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK2 by [gamma-33-P]-ATP based assay


J Med Chem 52: 6456-66 (2009)


Article DOI: 10.1021/jm901147e
BindingDB Entry DOI: 10.7270/Q2TX3FFQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50299276
PNG
(4-(5-amino-6-(1-(2,6-dichlorophenyl)ethoxy)pyrazin...)
Show SMILES CC(Oc1nc(cnc1N)-c1ccc(cc1)C(=O)NCC1CCCNC1)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H27Cl2N5O2/c1-15(22-19(26)5-2-6-20(22)27)34-25-23(28)30-14-21(32-25)17-7-9-18(10-8-17)24(33)31-13-16-4-3-11-29-12-16/h2,5-10,14-16,29H,3-4,11-13H2,1H3,(H2,28,30)(H,31,33)
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n/an/a 1.13E+3n/an/an/an/an/an/a



Eli Lilly and Company Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK2 by [gamma-33-P]-ATP based assay


J Med Chem 52: 6456-66 (2009)


Article DOI: 10.1021/jm901147e
BindingDB Entry DOI: 10.7270/Q2TX3FFQ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50299276
PNG
(4-(5-amino-6-(1-(2,6-dichlorophenyl)ethoxy)pyrazin...)
Show SMILES CC(Oc1nc(cnc1N)-c1ccc(cc1)C(=O)NCC1CCCNC1)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H27Cl2N5O2/c1-15(22-19(26)5-2-6-20(22)27)34-25-23(28)30-14-21(32-25)17-7-9-18(10-8-17)24(33)31-13-16-4-3-11-29-12-16/h2,5-10,14-16,29H,3-4,11-13H2,1H3,(H2,28,30)(H,31,33)
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n/an/a 1.21E+3n/an/an/an/an/an/a



Eli Lilly and Company Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant MET by [gamma-33-P]-ATP based assay


J Med Chem 52: 6456-66 (2009)


Article DOI: 10.1021/jm901147e
BindingDB Entry DOI: 10.7270/Q2TX3FFQ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50299271
PNG
(4-(6-(1H-indol-6-yloxy)-5-aminopyrazin-2-yl)-N-(pi...)
Show SMILES Nc1ncc(nc1Oc1ccc2cc[nH]c2c1)-c1ccc(cc1)C(=O)NCC1CCNCC1
Show InChI InChI=1S/C25H26N6O2/c26-23-25(33-20-6-5-18-9-12-28-21(18)13-20)31-22(15-29-23)17-1-3-19(4-2-17)24(32)30-14-16-7-10-27-11-8-16/h1-6,9,12-13,15-16,27-28H,7-8,10-11,14H2,(H2,26,29)(H,30,32)
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n/an/a 3.33E+3n/an/an/an/an/an/a



Eli Lilly and Company Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant MET by [gamma-33-P]-ATP based assay


J Med Chem 52: 6456-66 (2009)


Article DOI: 10.1021/jm901147e
BindingDB Entry DOI: 10.7270/Q2TX3FFQ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50299272
PNG
(4-(6-(1H-indol-6-yloxy)-5-aminopyrazin-2-yl)-N-(py...)
Show SMILES Nc1ncc(nc1Oc1ccc2cc[nH]c2c1)-c1ccc(cc1)C(=O)NCC1CCNC1
Show InChI InChI=1S/C24H24N6O2/c25-22-24(32-19-6-5-17-8-10-27-20(17)11-19)30-21(14-28-22)16-1-3-18(4-2-16)23(31)29-13-15-7-9-26-12-15/h1-6,8,10-11,14-15,26-27H,7,9,12-13H2,(H2,25,28)(H,29,31)
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n/an/a 3.55E+3n/an/an/an/an/an/a



Eli Lilly and Company Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant MET by [gamma-33-P]-ATP based assay


J Med Chem 52: 6456-66 (2009)


Article DOI: 10.1021/jm901147e
BindingDB Entry DOI: 10.7270/Q2TX3FFQ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50299270
PNG
(4-(6-(1H-indol-6-yloxy)-5-aminopyrazin-2-yl)-N-(py...)
Show SMILES Nc1ncc(nc1Oc1ccc2cc[nH]c2c1)-c1ccc(cc1)C(=O)NCC1CCCN1
Show InChI InChI=1S/C24H24N6O2/c25-22-24(32-19-8-7-16-9-11-27-20(16)12-19)30-21(14-28-22)15-3-5-17(6-4-15)23(31)29-13-18-2-1-10-26-18/h3-9,11-12,14,18,26-27H,1-2,10,13H2,(H2,25,28)(H,29,31)
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n/an/a 4.27E+3n/an/an/an/an/an/a



Eli Lilly and Company Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant MET by [gamma-33-P]-ATP based assay


J Med Chem 52: 6456-66 (2009)


Article DOI: 10.1021/jm901147e
BindingDB Entry DOI: 10.7270/Q2TX3FFQ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50299274
PNG
(4-(6-(1H-indol-6-yloxy)-5-aminopyrazin-2-yl)-N-(pi...)
Show SMILES Nc1ncc(nc1Oc1ccc2cc[nH]c2c1)-c1ccc(cc1)C(=O)NC1CCNCC1
Show InChI InChI=1S/C24H24N6O2/c25-22-24(32-19-6-5-16-7-12-27-20(16)13-19)30-21(14-28-22)15-1-3-17(4-2-15)23(31)29-18-8-10-26-11-9-18/h1-7,12-14,18,26-27H,8-11H2,(H2,25,28)(H,29,31)
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n/an/a 5.52E+3n/an/an/an/an/an/a



Eli Lilly and Company Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant MET by [gamma-33-P]-ATP based assay


J Med Chem 52: 6456-66 (2009)


Article DOI: 10.1021/jm901147e
BindingDB Entry DOI: 10.7270/Q2TX3FFQ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50299275
PNG
(4-(6-(1H-indol-6-yloxy)-5-aminopyrazin-2-yl)-N-(pi...)
Show SMILES Nc1ncc(nc1Oc1ccc2cc[nH]c2c1)-c1ccc(cc1)C(=O)NCC1CCCNC1
Show InChI InChI=1S/C25H26N6O2/c26-23-25(33-20-8-7-18-9-11-28-21(18)12-20)31-22(15-29-23)17-3-5-19(6-4-17)24(32)30-14-16-2-1-10-27-13-16/h3-9,11-12,15-16,27-28H,1-2,10,13-14H2,(H2,26,29)(H,30,32)
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n/an/a 7.09E+3n/an/an/an/an/an/a



Eli Lilly and Company Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant MET by [gamma-33-P]-ATP based assay


J Med Chem 52: 6456-66 (2009)


Article DOI: 10.1021/jm901147e
BindingDB Entry DOI: 10.7270/Q2TX3FFQ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50299273
PNG
((R)-4-(6-(1H-indol-6-yloxy)-5-aminopyrazin-2-yl)-N...)
Show SMILES Nc1ncc(nc1Oc1ccc2cc[nH]c2c1)-c1ccc(cc1)C(=O)N[C@@H]1CCNC1
Show InChI InChI=1S/C23H22N6O2/c24-21-23(31-18-6-5-15-7-10-26-19(15)11-18)29-20(13-27-21)14-1-3-16(4-2-14)22(30)28-17-8-9-25-12-17/h1-7,10-11,13,17,25-26H,8-9,12H2,(H2,24,27)(H,28,30)/t17-/m1/s1
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n/an/a 1.37E+4n/an/an/an/an/an/a



Eli Lilly and Company Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant MET by [gamma-33-P]-ATP based assay


J Med Chem 52: 6456-66 (2009)


Article DOI: 10.1021/jm901147e
BindingDB Entry DOI: 10.7270/Q2TX3FFQ
More data for this
Ligand-Target Pair