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PubMed code 21353571

Compile data set for download or QSAR
Found 26 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
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens (Human))
BDBM50338873
PNG
(CHEMBL1684800 | N-(5-Amino-1-(4-methoxybenzyl)-1H-...)
Show SMILES COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1
Show InChI InChI=1S/C27H24ClF3N6O3/c1-15-3-6-17(34-26(39)35-18-7-10-22(28)21(12-18)27(29,30)31)11-20(15)25(38)36-23-13-33-37(24(23)32)14-16-4-8-19(40-2)9-5-16/h3-13H,14,32H2,1-2H3,(H,36,38)(H2,34,35,39)
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n/an/a 2.13n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50338873
PNG
(CHEMBL1684800 | N-(5-Amino-1-(4-methoxybenzyl)-1H-...)
Show SMILES COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1
Show InChI InChI=1S/C27H24ClF3N6O3/c1-15-3-6-17(34-26(39)35-18-7-10-22(28)21(12-18)27(29,30)31)11-20(15)25(38)36-23-13-33-37(24(23)32)14-16-4-8-19(40-2)9-5-16/h3-13H,14,32H2,1-2H3,(H,36,38)(H2,34,35,39)
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n/an/a 2.71n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50338873
PNG
(CHEMBL1684800 | N-(5-Amino-1-(4-methoxybenzyl)-1H-...)
Show SMILES COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1
Show InChI InChI=1S/C27H24ClF3N6O3/c1-15-3-6-17(34-26(39)35-18-7-10-22(28)21(12-18)27(29,30)31)11-20(15)25(38)36-23-13-33-37(24(23)32)14-16-4-8-19(40-2)9-5-16/h3-13H,14,32H2,1-2H3,(H,36,38)(H2,34,35,39)
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n/an/a 2.73n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
inhibition of GSK3-beta


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50358043
PNG
(CHEMBL1794051 | GW-5074)
Show SMILES OC1Nc2ccc(I)cc2C1=Cc1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C15H10Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,15,19-21H
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n/an/a 2.87n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of C-Raf assessed as [33P]gamma-ATP incorporation into substrate after 40 mins by scintillation counting


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50338873
PNG
(CHEMBL1684800 | N-(5-Amino-1-(4-methoxybenzyl)-1H-...)
Show SMILES COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1
Show InChI InChI=1S/C27H24ClF3N6O3/c1-15-3-6-17(34-26(39)35-18-7-10-22(28)21(12-18)27(29,30)31)11-20(15)25(38)36-23-13-33-37(24(23)32)14-16-4-8-19(40-2)9-5-16/h3-13H,14,32H2,1-2H3,(H,36,38)(H2,34,35,39)
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n/an/a 2.87n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
inhibition of RAF1


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50358043
PNG
(CHEMBL1794051 | GW-5074)
Show SMILES OC1Nc2ccc(I)cc2C1=Cc1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C15H10Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,15,19-21H
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n/an/a 2.87n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
inhibition of RAF1


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50338873
PNG
(CHEMBL1684800 | N-(5-Amino-1-(4-methoxybenzyl)-1H-...)
Show SMILES COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1
Show InChI InChI=1S/C27H24ClF3N6O3/c1-15-3-6-17(34-26(39)35-18-7-10-22(28)21(12-18)27(29,30)31)11-20(15)25(38)36-23-13-33-37(24(23)32)14-16-4-8-19(40-2)9-5-16/h3-13H,14,32H2,1-2H3,(H,36,38)(H2,34,35,39)
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n/an/a 3.20n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50338873
PNG
(CHEMBL1684800 | N-(5-Amino-1-(4-methoxybenzyl)-1H-...)
Show SMILES COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1
Show InChI InChI=1S/C27H24ClF3N6O3/c1-15-3-6-17(34-26(39)35-18-7-10-22(28)21(12-18)27(29,30)31)11-20(15)25(38)36-23-13-33-37(24(23)32)14-16-4-8-19(40-2)9-5-16/h3-13H,14,32H2,1-2H3,(H,36,38)(H2,34,35,39)
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n/an/a 4.13n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50338873
PNG
(CHEMBL1684800 | N-(5-Amino-1-(4-methoxybenzyl)-1H-...)
Show SMILES COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1
Show InChI InChI=1S/C27H24ClF3N6O3/c1-15-3-6-17(34-26(39)35-18-7-10-22(28)21(12-18)27(29,30)31)11-20(15)25(38)36-23-13-33-37(24(23)32)14-16-4-8-19(40-2)9-5-16/h3-13H,14,32H2,1-2H3,(H,36,38)(H2,34,35,39)
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n/an/a 4.79n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50338873
PNG
(CHEMBL1684800 | N-(5-Amino-1-(4-methoxybenzyl)-1H-...)
Show SMILES COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1
Show InChI InChI=1S/C27H24ClF3N6O3/c1-15-3-6-17(34-26(39)35-18-7-10-22(28)21(12-18)27(29,30)31)11-20(15)25(38)36-23-13-33-37(24(23)32)14-16-4-8-19(40-2)9-5-16/h3-13H,14,32H2,1-2H3,(H,36,38)(H2,34,35,39)
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n/an/a 9.42n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
inhibition of KDR


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50338873
PNG
(CHEMBL1684800 | N-(5-Amino-1-(4-methoxybenzyl)-1H-...)
Show SMILES COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1
Show InChI InChI=1S/C27H24ClF3N6O3/c1-15-3-6-17(34-26(39)35-18-7-10-22(28)21(12-18)27(29,30)31)11-20(15)25(38)36-23-13-33-37(24(23)32)14-16-4-8-19(40-2)9-5-16/h3-13H,14,32H2,1-2H3,(H,36,38)(H2,34,35,39)
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n/an/a 18.2n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
inhibition of MEK1


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50338873
PNG
(CHEMBL1684800 | N-(5-Amino-1-(4-methoxybenzyl)-1H-...)
Show SMILES COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1
Show InChI InChI=1S/C27H24ClF3N6O3/c1-15-3-6-17(34-26(39)35-18-7-10-22(28)21(12-18)27(29,30)31)11-20(15)25(38)36-23-13-33-37(24(23)32)14-16-4-8-19(40-2)9-5-16/h3-13H,14,32H2,1-2H3,(H,36,38)(H2,34,35,39)
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n/an/a 21.5n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
inhibition of FGFR3


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50338874
PNG
(CHEMBL1684784 | N-(5-Amino-1-(4-methoxybenzyl)-1H-...)
Show SMILES COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)c2N)cc1
Show InChI InChI=1S/C27H24F3N5O3/c1-16-6-9-20(33-25(36)18-4-3-5-19(12-18)27(28,29)30)13-22(16)26(37)34-23-14-32-35(24(23)31)15-17-7-10-21(38-2)11-8-17/h3-14H,15,31H2,1-2H3,(H,33,36)(H,34,37)
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n/an/a 22.4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of C-Raf assessed as [33P]gamma-ATP incorporation into substrate after 40 mins by scintillation counting


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50338873
PNG
(CHEMBL1684800 | N-(5-Amino-1-(4-methoxybenzyl)-1H-...)
Show SMILES COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1
Show InChI InChI=1S/C27H24ClF3N6O3/c1-15-3-6-17(34-26(39)35-18-7-10-22(28)21(12-18)27(29,30)31)11-20(15)25(38)36-23-13-33-37(24(23)32)14-16-4-8-19(40-2)9-5-16/h3-13H,14,32H2,1-2H3,(H,36,38)(H2,34,35,39)
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n/an/a 51.6n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
inhibition of IGF-1R


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50338873
PNG
(CHEMBL1684800 | N-(5-Amino-1-(4-methoxybenzyl)-1H-...)
Show SMILES COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1
Show InChI InChI=1S/C27H24ClF3N6O3/c1-15-3-6-17(34-26(39)35-18-7-10-22(28)21(12-18)27(29,30)31)11-20(15)25(38)36-23-13-33-37(24(23)32)14-16-4-8-19(40-2)9-5-16/h3-13H,14,32H2,1-2H3,(H,36,38)(H2,34,35,39)
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n/an/a 101n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50338873
PNG
(CHEMBL1684800 | N-(5-Amino-1-(4-methoxybenzyl)-1H-...)
Show SMILES COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1
Show InChI InChI=1S/C27H24ClF3N6O3/c1-15-3-6-17(34-26(39)35-18-7-10-22(28)21(12-18)27(29,30)31)11-20(15)25(38)36-23-13-33-37(24(23)32)14-16-4-8-19(40-2)9-5-16/h3-13H,14,32H2,1-2H3,(H,36,38)(H2,34,35,39)
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n/an/a 107n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of C-Raf assessed as [33P]gamma-ATP incorporation into substrate after 40 mins by scintillation counting


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50338873
PNG
(CHEMBL1684800 | N-(5-Amino-1-(4-methoxybenzyl)-1H-...)
Show SMILES COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1
Show InChI InChI=1S/C27H24ClF3N6O3/c1-15-3-6-17(34-26(39)35-18-7-10-22(28)21(12-18)27(29,30)31)11-20(15)25(38)36-23-13-33-37(24(23)32)14-16-4-8-19(40-2)9-5-16/h3-13H,14,32H2,1-2H3,(H,36,38)(H2,34,35,39)
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n/an/a 167n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
inhibition of PLK1


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50338873
PNG
(CHEMBL1684800 | N-(5-Amino-1-(4-methoxybenzyl)-1H-...)
Show SMILES COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1
Show InChI InChI=1S/C27H24ClF3N6O3/c1-15-3-6-17(34-26(39)35-18-7-10-22(28)21(12-18)27(29,30)31)11-20(15)25(38)36-23-13-33-37(24(23)32)14-16-4-8-19(40-2)9-5-16/h3-13H,14,32H2,1-2H3,(H,36,38)(H2,34,35,39)
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n/an/a 194n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of c-MET


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50338875
PNG
(CHEMBL1684783 | N-(5-Amino-1-(4-methoxybenzyl)-1H-...)
Show SMILES COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)N4CCN(C)CC4)ccc3C)c2N)cc1
Show InChI InChI=1S/C32H34F3N7O3/c1-20-4-7-24(38-30(43)22-14-23(32(33,34)35)16-25(15-22)41-12-10-40(2)11-13-41)17-27(20)31(44)39-28-18-37-42(29(28)36)19-21-5-8-26(45-3)9-6-21/h4-9,14-18H,10-13,19,36H2,1-3H3,(H,38,43)(H,39,44)
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n/an/a 240n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of C-Raf assessed as [33P]gamma-ATP incorporation into substrate after 40 mins by scintillation counting


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50338873
PNG
(CHEMBL1684800 | N-(5-Amino-1-(4-methoxybenzyl)-1H-...)
Show SMILES COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1
Show InChI InChI=1S/C27H24ClF3N6O3/c1-15-3-6-17(34-26(39)35-18-7-10-22(28)21(12-18)27(29,30)31)11-20(15)25(38)36-23-13-33-37(24(23)32)14-16-4-8-19(40-2)9-5-16/h3-13H,14,32H2,1-2H3,(H,36,38)(H2,34,35,39)
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n/an/a 277n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
inhibition of RON


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50338873
PNG
(CHEMBL1684800 | N-(5-Amino-1-(4-methoxybenzyl)-1H-...)
Show SMILES COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1
Show InChI InChI=1S/C27H24ClF3N6O3/c1-15-3-6-17(34-26(39)35-18-7-10-22(28)21(12-18)27(29,30)31)11-20(15)25(38)36-23-13-33-37(24(23)32)14-16-4-8-19(40-2)9-5-16/h3-13H,14,32H2,1-2H3,(H,36,38)(H2,34,35,39)
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n/an/a 1.59E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
inhibition of JNK1a1 at 10 uM


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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n/an/a 3.02E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
inhibition of mTOR


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50338873
PNG
(CHEMBL1684800 | N-(5-Amino-1-(4-methoxybenzyl)-1H-...)
Show SMILES COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1
Show InChI InChI=1S/C27H24ClF3N6O3/c1-15-3-6-17(34-26(39)35-18-7-10-22(28)21(12-18)27(29,30)31)11-20(15)25(38)36-23-13-33-37(24(23)32)14-16-4-8-19(40-2)9-5-16/h3-13H,14,32H2,1-2H3,(H,36,38)(H2,34,35,39)
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n/an/a 3.02E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
inhibition of mTOR


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50338876
PNG
(CHEMBL1684799 | N-(5-Amino-1-(4-methoxybenzyl)-1H-...)
Show SMILES COc1ccc(Cn2ncc(NC(=O)c3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc3C)c2N)cc1
Show InChI InChI=1S/C27H24ClF3N6O3/c1-15-11-17(34-26(39)35-18-6-10-22(28)21(12-18)27(29,30)31)5-9-20(15)25(38)36-23-13-33-37(24(23)32)14-16-3-7-19(40-2)8-4-16/h3-13H,14,32H2,1-2H3,(H,36,38)(H2,34,35,39)
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n/an/a 8.32E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of C-Raf assessed as [33P]gamma-ATP incorporation into substrate after 40 mins by scintillation counting


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50338873
PNG
(CHEMBL1684800 | N-(5-Amino-1-(4-methoxybenzyl)-1H-...)
Show SMILES COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1
Show InChI InChI=1S/C27H24ClF3N6O3/c1-15-3-6-17(34-26(39)35-18-7-10-22(28)21(12-18)27(29,30)31)11-20(15)25(38)36-23-13-33-37(24(23)32)14-16-4-8-19(40-2)9-5-16/h3-13H,14,32H2,1-2H3,(H,36,38)(H2,34,35,39)
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n/an/a 1.14E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50338873
PNG
(CHEMBL1684800 | N-(5-Amino-1-(4-methoxybenzyl)-1H-...)
Show SMILES COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1
Show InChI InChI=1S/C27H24ClF3N6O3/c1-15-3-6-17(34-26(39)35-18-7-10-22(28)21(12-18)27(29,30)31)11-20(15)25(38)36-23-13-33-37(24(23)32)14-16-4-8-19(40-2)9-5-16/h3-13H,14,32H2,1-2H3,(H,36,38)(H2,34,35,39)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
inhibition of JNK3


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%