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PubMed code 25305330

Compile data set for download or QSAR
Found 75 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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50030383
PNG
(CHEMBL3344216)
Show SMILES CN(C)[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C30H28ClFN4O4S/c1-36(2)26(17-41(3,37)38)29-12-11-27(40-29)20-7-9-25-23(14-20)30(34-18-33-25)35-22-8-10-28(24(31)15-22)39-16-19-5-4-6-21(32)13-19/h4-15,18,26H,16-17H2,1-3H3,(H,33,34,35)/t26-/s2
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n/an/a 0.5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50030379
PNG
(CHEMBL3344210)
Show SMILES CNC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C29H26ClFN4O4S/c1-32-25(16-40(2,36)37)28-11-10-26(39-28)19-6-8-24-22(13-19)29(34-17-33-24)35-21-7-9-27(23(30)14-21)38-15-18-4-3-5-20(31)12-18/h3-14,17,25,32H,15-16H2,1-2H3,(H,33,34,35)
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n/an/a 1n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM5445
PNG
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
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n/an/a 2.70n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50030385
PNG
(CHEMBL3344215)
Show SMILES CS(=O)(=O)C[C@@H](N)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C28H24ClFN4O4S/c1-39(35,36)15-23(31)27-10-9-25(38-27)18-5-7-24-21(12-18)28(33-16-32-24)34-20-6-8-26(22(29)13-20)37-14-17-3-2-4-19(30)11-17/h2-13,16,23H,14-15,31H2,1H3,(H,32,33,34)/t23-/s2
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n/an/a 2.90n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50030387
PNG
(CHEMBL3344209)
Show SMILES CS(=O)(=O)CC(N)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C28H24ClFN4O4S/c1-39(35,36)15-23(31)27-10-9-25(38-27)18-5-7-24-21(12-18)28(33-16-32-24)34-20-6-8-26(22(29)13-20)37-14-17-3-2-4-19(30)11-17/h2-13,16,23H,14-15,31H2,1H3,(H,32,33,34)
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n/an/a 3.40n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50030376
PNG
(CHEMBL3344208)
Show SMILES CN(C)C(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C30H28ClFN4O4S/c1-36(2)26(17-41(3,37)38)29-12-11-27(40-29)20-7-9-25-23(14-20)30(34-18-33-25)35-22-8-10-28(24(31)15-22)39-16-19-5-4-6-21(32)13-19/h4-15,18,26H,16-17H2,1-3H3,(H,33,34,35)
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n/an/a 3.60n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50030383
PNG
(CHEMBL3344216)
Show SMILES CN(C)[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C30H28ClFN4O4S/c1-36(2)26(17-41(3,37)38)29-12-11-27(40-29)20-7-9-25-23(14-20)30(34-18-33-25)35-22-8-10-28(24(31)15-22)39-16-19-5-4-6-21(32)13-19/h4-15,18,26H,16-17H2,1-3H3,(H,33,34,35)/t26-/s2
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n/an/a 4.10n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER1 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50030376
PNG
(CHEMBL3344208)
Show SMILES CN(C)C(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C30H28ClFN4O4S/c1-36(2)26(17-41(3,37)38)29-12-11-27(40-29)20-7-9-25-23(14-20)30(34-18-33-25)35-22-8-10-28(24(31)15-22)39-16-19-5-4-6-21(32)13-19/h4-15,18,26H,16-17H2,1-3H3,(H,33,34,35)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER1 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5445
PNG
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
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n/an/a 7.90n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER1 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50030385
PNG
(CHEMBL3344215)
Show SMILES CS(=O)(=O)C[C@@H](N)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C28H24ClFN4O4S/c1-39(35,36)15-23(31)27-10-9-25(38-27)18-5-7-24-21(12-18)28(33-16-32-24)34-20-6-8-26(22(29)13-20)37-14-17-3-2-4-19(30)11-17/h2-13,16,23H,14-15,31H2,1H3,(H,32,33,34)/t23-/s2
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n/an/a 11n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER1 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50030389
PNG
(CHEMBL3344220)
Show SMILES CS(=O)(=O)C[C@H](N)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C28H24ClFN4O4S/c1-39(35,36)15-23(31)27-10-9-25(38-27)18-5-7-24-21(12-18)28(33-16-32-24)34-20-6-8-26(22(29)13-20)37-14-17-3-2-4-19(30)11-17/h2-13,16,23H,14-15,31H2,1H3,(H,32,33,34)/t23-/s2
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n/an/a 11n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50030389
PNG
(CHEMBL3344220)
Show SMILES CS(=O)(=O)C[C@H](N)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C28H24ClFN4O4S/c1-39(35,36)15-23(31)27-10-9-25(38-27)18-5-7-24-21(12-18)28(33-16-32-24)34-20-6-8-26(22(29)13-20)37-14-17-3-2-4-19(30)11-17/h2-13,16,23H,14-15,31H2,1H3,(H,32,33,34)/t23-/s2
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n/an/a 14n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER1 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50030382
PNG
(CHEMBL3344211)
Show SMILES CCNC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C30H28ClFN4O4S/c1-3-33-26(17-41(2,37)38)29-12-11-27(40-29)20-7-9-25-23(14-20)30(35-18-34-25)36-22-8-10-28(24(31)15-22)39-16-19-5-4-6-21(32)13-19/h4-15,18,26,33H,3,16-17H2,1-2H3,(H,34,35,36)
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n/an/a 15n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER1 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50030382
PNG
(CHEMBL3344211)
Show SMILES CCNC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C30H28ClFN4O4S/c1-3-33-26(17-41(2,37)38)29-12-11-27(40-29)20-7-9-25-23(14-20)30(35-18-34-25)36-22-8-10-28(24(31)15-22)39-16-19-5-4-6-21(32)13-19/h4-15,18,26,33H,3,16-17H2,1-2H3,(H,34,35,36)
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n/an/a 16n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50030387
PNG
(CHEMBL3344209)
Show SMILES CS(=O)(=O)CC(N)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C28H24ClFN4O4S/c1-39(35,36)15-23(31)27-10-9-25(38-27)18-5-7-24-21(12-18)28(33-16-32-24)34-20-6-8-26(22(29)13-20)37-14-17-3-2-4-19(30)11-17/h2-13,16,23H,14-15,31H2,1H3,(H,32,33,34)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER1 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50030380
PNG
(CHEMBL3344221)
Show SMILES CN(C)[C@@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C30H28ClFN4O4S/c1-36(2)26(17-41(3,37)38)29-12-11-27(40-29)20-7-9-25-23(14-20)30(34-18-33-25)35-22-8-10-28(24(31)15-22)39-16-19-5-4-6-21(32)13-19/h4-15,18,26H,16-17H2,1-3H3,(H,33,34,35)/t26-/s2
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n/an/a 26n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50030375
PNG
(CHEMBL3344214)
Show SMILES CS(=O)(=O)CCNC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C31H30ClFN4O6S2/c1-44(38,39)13-12-34-27(18-45(2,40)41)30-11-10-28(43-30)21-6-8-26-24(15-21)31(36-19-35-26)37-23-7-9-29(25(32)16-23)42-17-20-4-3-5-22(33)14-20/h3-11,14-16,19,27,34H,12-13,17-18H2,1-2H3,(H,35,36,37)
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n/an/a 29n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER1 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50030380
PNG
(CHEMBL3344221)
Show SMILES CN(C)[C@@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C30H28ClFN4O4S/c1-36(2)26(17-41(3,37)38)29-12-11-27(40-29)20-7-9-25-23(14-20)30(34-18-33-25)35-22-8-10-28(24(31)15-22)39-16-19-5-4-6-21(32)13-19/h4-15,18,26H,16-17H2,1-3H3,(H,33,34,35)/t26-/s2
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n/an/a 30n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER1 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50030379
PNG
(CHEMBL3344210)
Show SMILES CNC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C29H26ClFN4O4S/c1-32-25(16-40(2,36)37)28-11-10-26(39-28)19-6-8-24-22(13-19)29(34-17-33-24)35-21-7-9-27(23(30)14-21)38-15-18-4-3-5-20(31)12-18/h3-14,17,25,32H,15-16H2,1-2H3,(H,33,34,35)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER1 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50030384
PNG
(CHEMBL3344213)
Show SMILES CC(C)NC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C31H30ClFN4O4S/c1-19(2)36-27(17-42(3,38)39)30-12-11-28(41-30)21-7-9-26-24(14-21)31(35-18-34-26)37-23-8-10-29(25(32)15-23)40-16-20-5-4-6-22(33)13-20/h4-15,18-19,27,36H,16-17H2,1-3H3,(H,34,35,37)
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n/an/a 39n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER1 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50030384
PNG
(CHEMBL3344213)
Show SMILES CC(C)NC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C31H30ClFN4O4S/c1-19(2)36-27(17-42(3,38)39)30-12-11-28(41-30)21-7-9-26-24(14-21)31(35-18-34-26)37-23-8-10-29(25(32)15-23)40-16-20-5-4-6-22(33)13-20/h4-15,18-19,27,36H,16-17H2,1-3H3,(H,34,35,37)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50030375
PNG
(CHEMBL3344214)
Show SMILES CS(=O)(=O)CCNC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C31H30ClFN4O6S2/c1-44(38,39)13-12-34-27(18-45(2,40)41)30-11-10-28(43-30)21-6-8-26-24(15-21)31(36-19-35-26)37-23-7-9-29(25(32)16-23)42-17-20-4-3-5-22(33)14-20/h3-11,14-16,19,27,34H,12-13,17-18H2,1-2H3,(H,35,36,37)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50030388
PNG
(CHEMBL3344212)
Show SMILES CS(=O)(=O)CC(NC1CCCCC1)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C34H34ClFN4O4S/c1-45(41,42)20-30(39-25-8-3-2-4-9-25)33-15-14-31(44-33)23-10-12-29-27(17-23)34(38-21-37-29)40-26-11-13-32(28(35)18-26)43-19-22-6-5-7-24(36)16-22/h5-7,10-18,21,25,30,39H,2-4,8-9,19-20H2,1H3,(H,37,38,40)
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n/an/a 59n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50030388
PNG
(CHEMBL3344212)
Show SMILES CS(=O)(=O)CC(NC1CCCCC1)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C34H34ClFN4O4S/c1-45(41,42)20-30(39-25-8-3-2-4-9-25)33-15-14-31(44-33)23-10-12-29-27(17-23)34(38-21-37-29)40-26-11-13-32(28(35)18-26)43-19-22-6-5-7-24(36)16-22/h5-7,10-18,21,25,30,39H,2-4,8-9,19-20H2,1H3,(H,37,38,40)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER1 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50030378
PNG
(CHEMBL3344217)
Show SMILES CCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C31H28ClFN4O6S/c1-3-30(38)43-37-26(17-44(2,39)40)29-12-11-27(42-29)20-7-9-25-23(14-20)31(35-18-34-25)36-22-8-10-28(24(32)15-22)41-16-19-5-4-6-21(33)13-19/h4-15,18,26,37H,3,16-17H2,1-2H3,(H,34,35,36)/t26-/s2
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER1 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50030377
PNG
(CHEMBL3344218)
Show SMILES CCCCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C33H32ClFN4O6S/c1-3-4-8-32(40)45-39-28(19-46(2,41)42)31-14-13-29(44-31)22-9-11-27-25(16-22)33(37-20-36-27)38-24-10-12-30(26(34)17-24)43-18-21-6-5-7-23(35)15-21/h5-7,9-17,20,28,39H,3-4,8,18-19H2,1-2H3,(H,36,37,38)/t28-/s2
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER1 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50030381
PNG
(CHEMBL3344219)
Show SMILES CCCCCCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C35H36ClFN4O6S/c1-3-4-5-6-10-34(42)47-41-30(21-48(2,43)44)33-16-15-31(46-33)24-11-13-29-27(18-24)35(39-22-38-29)40-26-12-14-32(28(36)19-26)45-20-23-8-7-9-25(37)17-23/h7-9,11-19,22,30,41H,3-6,10,20-21H2,1-2H3,(H,38,39,40)/t30-/s2
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER1 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50030378
PNG
(CHEMBL3344217)
Show SMILES CCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C31H28ClFN4O6S/c1-3-30(38)43-37-26(17-44(2,39)40)29-12-11-27(42-29)20-7-9-25-23(14-20)31(35-18-34-25)36-22-8-10-28(24(32)15-22)41-16-19-5-4-6-21(33)13-19/h4-15,18,26,37H,3,16-17H2,1-2H3,(H,34,35,36)/t26-/s2
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50030381
PNG
(CHEMBL3344219)
Show SMILES CCCCCCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C35H36ClFN4O6S/c1-3-4-5-6-10-34(42)47-41-30(21-48(2,43)44)33-16-15-31(46-33)24-11-13-29-27(18-24)35(39-22-38-29)40-26-12-14-32(28(36)19-26)45-20-23-8-7-9-25(37)17-23/h7-9,11-19,22,30,41H,3-6,10,20-21H2,1-2H3,(H,38,39,40)/t30-/s2
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50030377
PNG
(CHEMBL3344218)
Show SMILES CCCCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C33H32ClFN4O6S/c1-3-4-8-32(40)45-39-28(19-46(2,41)42)31-14-13-29(44-31)22-9-11-27-25(16-22)33(37-20-36-27)38-24-10-12-30(26(34)17-24)43-18-21-6-5-7-23(35)15-21/h5-7,9-17,20,28,39H,3-4,8,18-19H2,1-2H3,(H,36,37,38)/t28-/s2
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin) assessed as reduction in autophosphorylation by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50030375
PNG
(CHEMBL3344214)
Show SMILES CS(=O)(=O)CCNC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C31H30ClFN4O6S2/c1-44(38,39)13-12-34-27(18-45(2,40)41)30-11-10-28(43-30)21-6-8-26-24(15-21)31(36-19-35-26)37-23-7-9-29(25(32)16-23)42-17-20-4-3-5-22(33)14-20/h3-11,14-16,19,27,34H,12-13,17-18H2,1-2H3,(H,35,36,37)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of c-KIT (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
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))
BDBM5445
PNG
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
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))
BDBM50030376
PNG
(CHEMBL3344208)
Show SMILES CN(C)C(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C30H28ClFN4O4S/c1-36(2)26(17-41(3,37)38)29-12-11-27(40-29)20-7-9-25-23(14-20)30(34-18-33-25)35-22-8-10-28(24(31)15-22)39-16-19-5-4-6-21(32)13-19/h4-15,18,26H,16-17H2,1-3H3,(H,33,34,35)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50030380
PNG
(CHEMBL3344221)
Show SMILES CN(C)[C@@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C30H28ClFN4O4S/c1-36(2)26(17-41(3,37)38)29-12-11-27(40-29)20-7-9-25-23(14-20)30(34-18-33-25)35-22-8-10-28(24(31)15-22)39-16-19-5-4-6-21(32)13-19/h4-15,18,26H,16-17H2,1-3H3,(H,33,34,35)/t26-/s2
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n/an/a>2.00E+5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50030380
PNG
(CHEMBL3344221)
Show SMILES CN(C)[C@@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C30H28ClFN4O4S/c1-36(2)26(17-41(3,37)38)29-12-11-27(40-29)20-7-9-25-23(14-20)30(34-18-33-25)35-22-8-10-28(24(31)15-22)39-16-19-5-4-6-21(32)13-19/h4-15,18,26H,16-17H2,1-3H3,(H,33,34,35)/t26-/s2
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of c-KIT (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50030383
PNG
(CHEMBL3344216)
Show SMILES CN(C)[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C30H28ClFN4O4S/c1-36(2)26(17-41(3,37)38)29-12-11-27(40-29)20-7-9-25-23(14-20)30(34-18-33-25)35-22-8-10-28(24(31)15-22)39-16-19-5-4-6-21(32)13-19/h4-15,18,26H,16-17H2,1-3H3,(H,33,34,35)/t26-/s2
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of c-KIT (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
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))
BDBM50030381
PNG
(CHEMBL3344219)
Show SMILES CCCCCCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C35H36ClFN4O6S/c1-3-4-5-6-10-34(42)47-41-30(21-48(2,43)44)33-16-15-31(46-33)24-11-13-29-27(18-24)35(39-22-38-29)40-26-12-14-32(28(36)19-26)45-20-23-8-7-9-25(37)17-23/h7-9,11-19,22,30,41H,3-6,10,20-21H2,1-2H3,(H,38,39,40)/t30-/s2
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50030381
PNG
(CHEMBL3344219)
Show SMILES CCCCCCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C35H36ClFN4O6S/c1-3-4-5-6-10-34(42)47-41-30(21-48(2,43)44)33-16-15-31(46-33)24-11-13-29-27(18-24)35(39-22-38-29)40-26-12-14-32(28(36)19-26)45-20-23-8-7-9-25(37)17-23/h7-9,11-19,22,30,41H,3-6,10,20-21H2,1-2H3,(H,38,39,40)/t30-/s2
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
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))
BDBM50030384
PNG
(CHEMBL3344213)
Show SMILES CC(C)NC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C31H30ClFN4O4S/c1-19(2)36-27(17-42(3,38)39)30-12-11-28(41-30)21-7-9-26-24(14-21)31(35-18-34-26)37-23-8-10-29(25(32)15-23)40-16-20-5-4-6-22(33)13-20/h4-15,18-19,27,36H,16-17H2,1-3H3,(H,34,35,37)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50030376
PNG
(CHEMBL3344208)
Show SMILES CN(C)C(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C30H28ClFN4O4S/c1-36(2)26(17-41(3,37)38)29-12-11-27(40-29)20-7-9-25-23(14-20)30(34-18-33-25)35-22-8-10-28(24(31)15-22)39-16-19-5-4-6-21(32)13-19/h4-15,18,26H,16-17H2,1-3H3,(H,33,34,35)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50030388
PNG
(CHEMBL3344212)
Show SMILES CS(=O)(=O)CC(NC1CCCCC1)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C34H34ClFN4O4S/c1-45(41,42)20-30(39-25-8-3-2-4-9-25)33-15-14-31(44-33)23-10-12-29-27(17-23)34(38-21-37-29)40-26-11-13-32(28(35)18-26)43-19-22-6-5-7-24(36)16-22/h5-7,10-18,21,25,30,39H,2-4,8-9,19-20H2,1H3,(H,37,38,40)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50030385
PNG
(CHEMBL3344215)
Show SMILES CS(=O)(=O)C[C@@H](N)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C28H24ClFN4O4S/c1-39(35,36)15-23(31)27-10-9-25(38-27)18-5-7-24-21(12-18)28(33-16-32-24)34-20-6-8-26(22(29)13-20)37-14-17-3-2-4-19(30)11-17/h2-13,16,23H,14-15,31H2,1H3,(H,32,33,34)/t23-/s2
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of c-KIT (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50030382
PNG
(CHEMBL3344211)
Show SMILES CCNC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C30H28ClFN4O4S/c1-3-33-26(17-41(2,37)38)29-12-11-27(40-29)20-7-9-25-23(14-20)30(35-18-34-25)36-22-8-10-28(24(31)15-22)39-16-19-5-4-6-21(32)13-19/h4-15,18,26,33H,3,16-17H2,1-2H3,(H,34,35,36)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50030387
PNG
(CHEMBL3344209)
Show SMILES CS(=O)(=O)CC(N)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C28H24ClFN4O4S/c1-39(35,36)15-23(31)27-10-9-25(38-27)18-5-7-24-21(12-18)28(33-16-32-24)34-20-6-8-26(22(29)13-20)37-14-17-3-2-4-19(30)11-17/h2-13,16,23H,14-15,31H2,1H3,(H,32,33,34)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50030384
PNG
(CHEMBL3344213)
Show SMILES CC(C)NC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C31H30ClFN4O4S/c1-19(2)36-27(17-42(3,38)39)30-12-11-28(41-30)21-7-9-26-24(14-21)31(35-18-34-26)37-23-8-10-29(25(32)15-23)40-16-20-5-4-6-22(33)13-20/h4-15,18-19,27,36H,16-17H2,1-3H3,(H,34,35,37)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50030388
PNG
(CHEMBL3344212)
Show SMILES CS(=O)(=O)CC(NC1CCCCC1)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C34H34ClFN4O4S/c1-45(41,42)20-30(39-25-8-3-2-4-9-25)33-15-14-31(44-33)23-10-12-29-27(17-23)34(38-21-37-29)40-26-11-13-32(28(35)18-26)43-19-22-6-5-7-24(36)16-22/h5-7,10-18,21,25,30,39H,2-4,8-9,19-20H2,1H3,(H,37,38,40)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of c-KIT (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50030379
PNG
(CHEMBL3344210)
Show SMILES CNC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C29H26ClFN4O4S/c1-32-25(16-40(2,36)37)28-11-10-26(39-28)19-6-8-24-22(13-19)29(34-17-33-24)35-21-7-9-27(23(30)14-21)38-15-18-4-3-5-20(31)12-18/h3-14,17,25,32H,15-16H2,1-2H3,(H,33,34,35)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of c-KIT (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50030387
PNG
(CHEMBL3344209)
Show SMILES CS(=O)(=O)CC(N)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C28H24ClFN4O4S/c1-39(35,36)15-23(31)27-10-9-25(38-27)18-5-7-24-21(12-18)28(33-16-32-24)34-20-6-8-26(22(29)13-20)37-14-17-3-2-4-19(30)11-17/h2-13,16,23H,14-15,31H2,1H3,(H,32,33,34)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of c-KIT (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
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))
BDBM50030378
PNG
(CHEMBL3344217)
Show SMILES CCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C31H28ClFN4O6S/c1-3-30(38)43-37-26(17-44(2,39)40)29-12-11-27(42-29)20-7-9-25-23(14-20)31(35-18-34-25)36-22-8-10-28(24(32)15-22)41-16-19-5-4-6-21(33)13-19/h4-15,18,26,37H,3,16-17H2,1-2H3,(H,34,35,36)/t26-/s2
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50030378
PNG
(CHEMBL3344217)
Show SMILES CCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C31H28ClFN4O6S/c1-3-30(38)43-37-26(17-44(2,39)40)29-12-11-27(42-29)20-7-9-25-23(14-20)31(35-18-34-25)36-22-8-10-28(24(32)15-22)41-16-19-5-4-6-21(33)13-19/h4-15,18,26,37H,3,16-17H2,1-2H3,(H,34,35,36)/t26-/s2
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of c-KIT (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50030377
PNG
(CHEMBL3344218)
Show SMILES CCCCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C33H32ClFN4O6S/c1-3-4-8-32(40)45-39-28(19-46(2,41)42)31-14-13-29(44-31)22-9-11-27-25(16-22)33(37-20-36-27)38-24-10-12-30(26(34)17-24)43-18-21-6-5-7-23(35)15-21/h5-7,9-17,20,28,39H,3-4,8,18-19H2,1-2H3,(H,36,37,38)/t28-/s2
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50030385
PNG
(CHEMBL3344215)
Show SMILES CS(=O)(=O)C[C@@H](N)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C28H24ClFN4O4S/c1-39(35,36)15-23(31)27-10-9-25(38-27)18-5-7-24-21(12-18)28(33-16-32-24)34-20-6-8-26(22(29)13-20)37-14-17-3-2-4-19(30)11-17/h2-13,16,23H,14-15,31H2,1H3,(H,32,33,34)/t23-/s2
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
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))
BDBM50030387
PNG
(CHEMBL3344209)
Show SMILES CS(=O)(=O)CC(N)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C28H24ClFN4O4S/c1-39(35,36)15-23(31)27-10-9-25(38-27)18-5-7-24-21(12-18)28(33-16-32-24)34-20-6-8-26(22(29)13-20)37-14-17-3-2-4-19(30)11-17/h2-13,16,23H,14-15,31H2,1H3,(H,32,33,34)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
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))
BDBM50030377
PNG
(CHEMBL3344218)
Show SMILES CCCCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C33H32ClFN4O6S/c1-3-4-8-32(40)45-39-28(19-46(2,41)42)31-14-13-29(44-31)22-9-11-27-25(16-22)33(37-20-36-27)38-24-10-12-30(26(34)17-24)43-18-21-6-5-7-23(35)15-21/h5-7,9-17,20,28,39H,3-4,8,18-19H2,1-2H3,(H,36,37,38)/t28-/s2
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
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))
BDBM50030375
PNG
(CHEMBL3344214)
Show SMILES CS(=O)(=O)CCNC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C31H30ClFN4O6S2/c1-44(38,39)13-12-34-27(18-45(2,40)41)30-11-10-28(43-30)21-6-8-26-24(15-21)31(36-19-35-26)37-23-7-9-29(25(32)16-23)42-17-20-4-3-5-22(33)14-20/h3-11,14-16,19,27,34H,12-13,17-18H2,1-2H3,(H,35,36,37)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50030378
PNG
(CHEMBL3344217)
Show SMILES CCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C31H28ClFN4O6S/c1-3-30(38)43-37-26(17-44(2,39)40)29-12-11-27(42-29)20-7-9-25-23(14-20)31(35-18-34-25)36-22-8-10-28(24(32)15-22)41-16-19-5-4-6-21(33)13-19/h4-15,18,26,37H,3,16-17H2,1-2H3,(H,34,35,36)/t26-/s2
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50030384
PNG
(CHEMBL3344213)
Show SMILES CC(C)NC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C31H30ClFN4O4S/c1-19(2)36-27(17-42(3,38)39)30-12-11-28(41-30)21-7-9-26-24(14-21)31(35-18-34-26)37-23-8-10-29(25(32)15-23)40-16-20-5-4-6-22(33)13-20/h4-15,18-19,27,36H,16-17H2,1-3H3,(H,34,35,37)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of c-KIT (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM5445
PNG
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50030375
PNG
(CHEMBL3344214)
Show SMILES CS(=O)(=O)CCNC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C31H30ClFN4O6S2/c1-44(38,39)13-12-34-27(18-45(2,40)41)30-11-10-28(43-30)21-6-8-26-24(15-21)31(36-19-35-26)37-23-7-9-29(25(32)16-23)42-17-20-4-3-5-22(33)14-20/h3-11,14-16,19,27,34H,12-13,17-18H2,1-2H3,(H,35,36,37)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50030389
PNG
(CHEMBL3344220)
Show SMILES CS(=O)(=O)C[C@H](N)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C28H24ClFN4O4S/c1-39(35,36)15-23(31)27-10-9-25(38-27)18-5-7-24-21(12-18)28(33-16-32-24)34-20-6-8-26(22(29)13-20)37-14-17-3-2-4-19(30)11-17/h2-13,16,23H,14-15,31H2,1H3,(H,32,33,34)/t23-/s2
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
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))
BDBM50030389
PNG
(CHEMBL3344220)
Show SMILES CS(=O)(=O)C[C@H](N)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C28H24ClFN4O4S/c1-39(35,36)15-23(31)27-10-9-25(38-27)18-5-7-24-21(12-18)28(33-16-32-24)34-20-6-8-26(22(29)13-20)37-14-17-3-2-4-19(30)11-17/h2-13,16,23H,14-15,31H2,1H3,(H,32,33,34)/t23-/s2
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50030376
PNG
(CHEMBL3344208)
Show SMILES CN(C)C(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C30H28ClFN4O4S/c1-36(2)26(17-41(3,37)38)29-12-11-27(40-29)20-7-9-25-23(14-20)30(34-18-33-25)35-22-8-10-28(24(31)15-22)39-16-19-5-4-6-21(32)13-19/h4-15,18,26H,16-17H2,1-3H3,(H,33,34,35)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of c-KIT (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50030377
PNG
(CHEMBL3344218)
Show SMILES CCCCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C33H32ClFN4O6S/c1-3-4-8-32(40)45-39-28(19-46(2,41)42)31-14-13-29(44-31)22-9-11-27-25(16-22)33(37-20-36-27)38-24-10-12-30(26(34)17-24)43-18-21-6-5-7-23(35)15-21/h5-7,9-17,20,28,39H,3-4,8,18-19H2,1-2H3,(H,36,37,38)/t28-/s2
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of c-KIT (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
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))
BDBM50030379
PNG
(CHEMBL3344210)
Show SMILES CNC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C29H26ClFN4O4S/c1-32-25(16-40(2,36)37)28-11-10-26(39-28)19-6-8-24-22(13-19)29(34-17-33-24)35-21-7-9-27(23(30)14-21)38-15-18-4-3-5-20(31)12-18/h3-14,17,25,32H,15-16H2,1-2H3,(H,33,34,35)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50030379
PNG
(CHEMBL3344210)
Show SMILES CNC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C29H26ClFN4O4S/c1-32-25(16-40(2,36)37)28-11-10-26(39-28)19-6-8-24-22(13-19)29(34-17-33-24)35-21-7-9-27(23(30)14-21)38-15-18-4-3-5-20(31)12-18/h3-14,17,25,32H,15-16H2,1-2H3,(H,33,34,35)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
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))
BDBM50030388
PNG
(CHEMBL3344212)
Show SMILES CS(=O)(=O)CC(NC1CCCCC1)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C34H34ClFN4O4S/c1-45(41,42)20-30(39-25-8-3-2-4-9-25)33-15-14-31(44-33)23-10-12-29-27(17-23)34(38-21-37-29)40-26-11-13-32(28(35)18-26)43-19-22-6-5-7-24(36)16-22/h5-7,10-18,21,25,30,39H,2-4,8-9,19-20H2,1H3,(H,37,38,40)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50030381
PNG
(CHEMBL3344219)
Show SMILES CCCCCCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C35H36ClFN4O6S/c1-3-4-5-6-10-34(42)47-41-30(21-48(2,43)44)33-16-15-31(46-33)24-11-13-29-27(18-24)35(39-22-38-29)40-26-12-14-32(28(36)19-26)45-20-23-8-7-9-25(37)17-23/h7-9,11-19,22,30,41H,3-6,10,20-21H2,1-2H3,(H,38,39,40)/t30-/s2
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of c-KIT (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM5445
PNG
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of c-KIT (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50030383
PNG
(CHEMBL3344216)
Show SMILES CN(C)[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C30H28ClFN4O4S/c1-36(2)26(17-41(3,37)38)29-12-11-27(40-29)20-7-9-25-23(14-20)30(34-18-33-25)35-22-8-10-28(24(31)15-22)39-16-19-5-4-6-21(32)13-19/h4-15,18,26H,16-17H2,1-3H3,(H,33,34,35)/t26-/s2
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
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))
BDBM50030380
PNG
(CHEMBL3344221)
Show SMILES CN(C)[C@@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C30H28ClFN4O4S/c1-36(2)26(17-41(3,37)38)29-12-11-27(40-29)20-7-9-25-23(14-20)30(34-18-33-25)35-22-8-10-28(24(31)15-22)39-16-19-5-4-6-21(32)13-19/h4-15,18,26H,16-17H2,1-3H3,(H,33,34,35)/t26-/s2
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
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))
BDBM50030383
PNG
(CHEMBL3344216)
Show SMILES CN(C)[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C30H28ClFN4O4S/c1-36(2)26(17-41(3,37)38)29-12-11-27(40-29)20-7-9-25-23(14-20)30(34-18-33-25)35-22-8-10-28(24(31)15-22)39-16-19-5-4-6-21(32)13-19/h4-15,18,26H,16-17H2,1-3H3,(H,33,34,35)/t26-/s2
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50030389
PNG
(CHEMBL3344220)
Show SMILES CS(=O)(=O)C[C@H](N)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C28H24ClFN4O4S/c1-39(35,36)15-23(31)27-10-9-25(38-27)18-5-7-24-21(12-18)28(33-16-32-24)34-20-6-8-26(22(29)13-20)37-14-17-3-2-4-19(30)11-17/h2-13,16,23H,14-15,31H2,1H3,(H,32,33,34)/t23-/s2
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n/an/a>2.00E+5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of c-KIT (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50030382
PNG
(CHEMBL3344211)
Show SMILES CCNC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C30H28ClFN4O4S/c1-3-33-26(17-41(2,37)38)29-12-11-27(40-29)20-7-9-25-23(14-20)30(35-18-34-25)36-22-8-10-28(24(31)15-22)39-16-19-5-4-6-21(32)13-19/h4-15,18,26,33H,3,16-17H2,1-2H3,(H,34,35,36)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of c-KIT (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
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))
BDBM50030385
PNG
(CHEMBL3344215)
Show SMILES CS(=O)(=O)C[C@@H](N)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
Show InChI InChI=1/C28H24ClFN4O4S/c1-39(35,36)15-23(31)27-10-9-25(38-27)18-5-7-24-21(12-18)28(33-16-32-24)34-20-6-8-26(22(29)13-20)37-14-17-3-2-4-19(30)11-17/h2-13,16,23H,14-15,31H2,1H3,(H,32,33,34)/t23-/s2
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n/an/a>2.00E+5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
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))
BDBM50030382
PNG
(CHEMBL3344211)
Show SMILES CCNC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1/C30H28ClFN4O4S/c1-3-33-26(17-41(2,37)38)29-12-11-27(40-29)20-7-9-25-23(14-20)30(35-18-34-25)36-22-8-10-28(24(31)15-22)39-16-19-5-4-6-21(32)13-19/h4-15,18,26,33H,3,16-17H2,1-2H3,(H,34,35,36)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by ELISA method


Eur J Med Chem 87: 631-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.006
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%