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Compile Data Set for Download or QSAR

Found 17 hits of ic50 for monomerid = 50151366   
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
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50151366
PNG
((2-Chloro-6-methyl-phenyl)-[8-((S)-3-methyl-pipera...)
Show SMILES C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1
Show InChI InChI=1S/C21H22ClN7/c1-13-4-3-5-15(22)19(13)27-20-17-10-23-12-29(17)21-16(25-20)6-7-18(26-21)28-9-8-24-14(2)11-28/h3-7,10,12,14,24H,8-9,11H2,1-2H3,(H,25,27)/t14-/m0/s1
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PubMed
n/an/a>0.5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Lyn kinase


J Med Chem 47: 4517-29 (2004)


Article DOI: 10.1021/jm030217e
BindingDB Entry DOI: 10.7270/Q2R210VQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fgr


(Homo sapiens (Human))
BDBM50151366
PNG
((2-Chloro-6-methyl-phenyl)-[8-((S)-3-methyl-pipera...)
Show SMILES C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1
Show InChI InChI=1S/C21H22ClN7/c1-13-4-3-5-15(22)19(13)27-20-17-10-23-12-29(17)21-16(25-20)6-7-18(26-21)28-9-8-24-14(2)11-28/h3-7,10,12,14,24H,8-9,11H2,1-2H3,(H,25,27)/t14-/m0/s1
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n/an/a>2.80n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Fgr protein kinase


J Med Chem 47: 4517-29 (2004)


Article DOI: 10.1021/jm030217e
BindingDB Entry DOI: 10.7270/Q2R210VQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50151366
PNG
((2-Chloro-6-methyl-phenyl)-[8-((S)-3-methyl-pipera...)
Show SMILES C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1
Show InChI InChI=1S/C21H22ClN7/c1-13-4-3-5-15(22)19(13)27-20-17-10-23-12-29(17)21-16(25-20)6-7-18(26-21)28-9-8-24-14(2)11-28/h3-7,10,12,14,24H,8-9,11H2,1-2H3,(H,25,27)/t14-/m0/s1
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n/an/a>4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Src kinase


J Med Chem 47: 4517-29 (2004)


Article DOI: 10.1021/jm030217e
BindingDB Entry DOI: 10.7270/Q2R210VQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50151366
PNG
((2-Chloro-6-methyl-phenyl)-[8-((S)-3-methyl-pipera...)
Show SMILES C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1
Show InChI InChI=1S/C21H22ClN7/c1-13-4-3-5-15(22)19(13)27-20-17-10-23-12-29(17)21-16(25-20)6-7-18(26-21)28-9-8-24-14(2)11-28/h3-7,10,12,14,24H,8-9,11H2,1-2H3,(H,25,27)/t14-/m0/s1
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n/an/a>4.70n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Yes kinase


J Med Chem 47: 4517-29 (2004)


Article DOI: 10.1021/jm030217e
BindingDB Entry DOI: 10.7270/Q2R210VQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50151366
PNG
((2-Chloro-6-methyl-phenyl)-[8-((S)-3-methyl-pipera...)
Show SMILES C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1
Show InChI InChI=1S/C21H22ClN7/c1-13-4-3-5-15(22)19(13)27-20-17-10-23-12-29(17)21-16(25-20)6-7-18(26-21)28-9-8-24-14(2)11-28/h3-7,10,12,14,24H,8-9,11H2,1-2H3,(H,25,27)/t14-/m0/s1
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n/an/a>5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Fyn protein kinase


J Med Chem 47: 4517-29 (2004)


Article DOI: 10.1021/jm030217e
BindingDB Entry DOI: 10.7270/Q2R210VQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50151366
PNG
((2-Chloro-6-methyl-phenyl)-[8-((S)-3-methyl-pipera...)
Show SMILES C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1
Show InChI InChI=1S/C21H22ClN7/c1-13-4-3-5-15(22)19(13)27-20-17-10-23-12-29(17)21-16(25-20)6-7-18(26-21)28-9-8-24-14(2)11-28/h3-7,10,12,14,24H,8-9,11H2,1-2H3,(H,25,27)/t14-/m0/s1
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n/an/a>23n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Hck kinase


J Med Chem 47: 4517-29 (2004)


Article DOI: 10.1021/jm030217e
BindingDB Entry DOI: 10.7270/Q2R210VQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50151366
PNG
((2-Chloro-6-methyl-phenyl)-[8-((S)-3-methyl-pipera...)
Show SMILES C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1
Show InChI InChI=1S/C21H22ClN7/c1-13-4-3-5-15(22)19(13)27-20-17-10-23-12-29(17)21-16(25-20)6-7-18(26-21)28-9-8-24-14(2)11-28/h3-7,10,12,14,24H,8-9,11H2,1-2H3,(H,25,27)/t14-/m0/s1
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n/an/a 96n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of cSrc by coupled spectrophotometric enzyme assay


Bioorg Med Chem 15: 868-85 (2006)


Article DOI: 10.1016/j.bmc.2006.10.041
BindingDB Entry DOI: 10.7270/Q2DZ094H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))
BDBM50151366
PNG
((2-Chloro-6-methyl-phenyl)-[8-((S)-3-methyl-pipera...)
Show SMILES C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1
Show InChI InChI=1S/C21H22ClN7/c1-13-4-3-5-15(22)19(13)27-20-17-10-23-12-29(17)21-16(25-20)6-7-18(26-21)28-9-8-24-14(2)11-28/h3-7,10,12,14,24H,8-9,11H2,1-2H3,(H,25,27)/t14-/m0/s1
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n/an/a>380n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p38 MAP-kinase


J Med Chem 47: 4517-29 (2004)


Article DOI: 10.1021/jm030217e
BindingDB Entry DOI: 10.7270/Q2R210VQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50151366
PNG
((2-Chloro-6-methyl-phenyl)-[8-((S)-3-methyl-pipera...)
Show SMILES C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1
Show InChI InChI=1S/C21H22ClN7/c1-13-4-3-5-15(22)19(13)27-20-17-10-23-12-29(17)21-16(25-20)6-7-18(26-21)28-9-8-24-14(2)11-28/h3-7,10,12,14,24H,8-9,11H2,1-2H3,(H,25,27)/t14-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor


J Med Chem 47: 4517-29 (2004)


Article DOI: 10.1021/jm030217e
BindingDB Entry DOI: 10.7270/Q2R210VQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1/2/3


(Homo sapiens (Human))
BDBM50151366
PNG
((2-Chloro-6-methyl-phenyl)-[8-((S)-3-methyl-pipera...)
Show SMILES C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1
Show InChI InChI=1S/C21H22ClN7/c1-13-4-3-5-15(22)19(13)27-20-17-10-23-12-29(17)21-16(25-20)6-7-18(26-21)28-9-8-24-14(2)11-28/h3-7,10,12,14,24H,8-9,11H2,1-2H3,(H,25,27)/t14-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor


J Med Chem 47: 4517-29 (2004)


Article DOI: 10.1021/jm030217e
BindingDB Entry DOI: 10.7270/Q2R210VQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50151366
PNG
((2-Chloro-6-methyl-phenyl)-[8-((S)-3-methyl-pipera...)
Show SMILES C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1
Show InChI InChI=1S/C21H22ClN7/c1-13-4-3-5-15(22)19(13)27-20-17-10-23-12-29(17)21-16(25-20)6-7-18(26-21)28-9-8-24-14(2)11-28/h3-7,10,12,14,24H,8-9,11H2,1-2H3,(H,25,27)/t14-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa (ZAP-70)


J Med Chem 47: 4517-29 (2004)


Article DOI: 10.1021/jm030217e
BindingDB Entry DOI: 10.7270/Q2R210VQ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50151366
PNG
((2-Chloro-6-methyl-phenyl)-[8-((S)-3-methyl-pipera...)
Show SMILES C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1
Show InChI InChI=1S/C21H22ClN7/c1-13-4-3-5-15(22)19(13)27-20-17-10-23-12-29(17)21-16(25-20)6-7-18(26-21)28-9-8-24-14(2)11-28/h3-7,10,12,14,24H,8-9,11H2,1-2H3,(H,25,27)/t14-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HER2 kinase


J Med Chem 47: 4517-29 (2004)


Article DOI: 10.1021/jm030217e
BindingDB Entry DOI: 10.7270/Q2R210VQ
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM50151366
PNG
((2-Chloro-6-methyl-phenyl)-[8-((S)-3-methyl-pipera...)
Show SMILES C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1
Show InChI InChI=1S/C21H22ClN7/c1-13-4-3-5-15(22)19(13)27-20-17-10-23-12-29(17)21-16(25-20)6-7-18(26-21)28-9-8-24-14(2)11-28/h3-7,10,12,14,24H,8-9,11H2,1-2H3,(H,25,27)/t14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of I kappa-B kinase alpha


J Med Chem 47: 4517-29 (2004)


Article DOI: 10.1021/jm030217e
BindingDB Entry DOI: 10.7270/Q2R210VQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50151366
PNG
((2-Chloro-6-methyl-phenyl)-[8-((S)-3-methyl-pipera...)
Show SMILES C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1
Show InChI InChI=1S/C21H22ClN7/c1-13-4-3-5-15(22)19(13)27-20-17-10-23-12-29(17)21-16(25-20)6-7-18(26-21)28-9-8-24-14(2)11-28/h3-7,10,12,14,24H,8-9,11H2,1-2H3,(H,25,27)/t14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Syk protein tyrosine kinase


J Med Chem 47: 4517-29 (2004)


Article DOI: 10.1021/jm030217e
BindingDB Entry DOI: 10.7270/Q2R210VQ
More data for this
Ligand-Target Pair
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139


(Homo sapiens (Human))
BDBM50151366
PNG
((2-Chloro-6-methyl-phenyl)-[8-((S)-3-methyl-pipera...)
Show SMILES C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1
Show InChI InChI=1S/C21H22ClN7/c1-13-4-3-5-15(22)19(13)27-20-17-10-23-12-29(17)21-16(25-20)6-7-18(26-21)28-9-8-24-14(2)11-28/h3-7,10,12,14,24H,8-9,11H2,1-2H3,(H,25,27)/t14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PKC kinase


J Med Chem 47: 4517-29 (2004)


Article DOI: 10.1021/jm030217e
BindingDB Entry DOI: 10.7270/Q2R210VQ
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50151366
PNG
((2-Chloro-6-methyl-phenyl)-[8-((S)-3-methyl-pipera...)
Show SMILES C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1
Show InChI InChI=1S/C21H22ClN7/c1-13-4-3-5-15(22)19(13)27-20-17-10-23-12-29(17)21-16(25-20)6-7-18(26-21)28-9-8-24-14(2)11-28/h3-7,10,12,14,24H,8-9,11H2,1-2H3,(H,25,27)/t14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of I-kappa-B-kinase beta


J Med Chem 47: 4517-29 (2004)


Article DOI: 10.1021/jm030217e
BindingDB Entry DOI: 10.7270/Q2R210VQ
More data for this
Ligand-Target Pair
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50151366
PNG
((2-Chloro-6-methyl-phenyl)-[8-((S)-3-methyl-pipera...)
Show SMILES C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1
Show InChI InChI=1S/C21H22ClN7/c1-13-4-3-5-15(22)19(13)27-20-17-10-23-12-29(17)21-16(25-20)6-7-18(26-21)28-9-8-24-14(2)11-28/h3-7,10,12,14,24H,8-9,11H2,1-2H3,(H,25,27)/t14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase


J Med Chem 47: 4517-29 (2004)


Article DOI: 10.1021/jm030217e
BindingDB Entry DOI: 10.7270/Q2R210VQ
More data for this
Ligand-Target Pair