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Compile Data Set for Download or QSAR

Found 181 hits with Last Name = 'tang' and Initial = 'd'   
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
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50430877
PNG
(CHEMBL2336480)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(CC)cc(CC)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H30N4O2/c1-6-17-14-18(7-2)27-23(24-17)20(15-21(28)26(8-3)9-4)22(25-27)16-10-12-19(29-5)13-11-16/h10-14H,6-9,15H2,1-5H3
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0.180n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50430878
PNG
(CHEMBL2336474)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(CC)cc(CC)nc12)-c1ccc(OCCF)cc1
Show InChI InChI=1S/C24H31FN4O2/c1-5-18-15-19(6-2)29-24(26-18)21(16-22(30)28(7-3)8-4)23(27-29)17-9-11-20(12-10-17)31-14-13-25/h9-12,15H,5-8,13-14,16H2,1-4H3
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0.270n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50243007
PNG
(2-(2-(4-(2-Fluoroethoxy)phenyl)-5,7-dimethylpyrazo...)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCCF)cc1
Show InChI InChI=1S/C22H27FN4O2/c1-5-26(6-2)20(28)14-19-21(17-7-9-18(10-8-17)29-12-11-23)25-27-16(4)13-15(3)24-22(19)27/h7-10,13H,5-6,11-12,14H2,1-4H3
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9.70n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50327238
PNG
(2-[2-(4'-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a...)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H26N4O2/c1-6-24(7-2)19(26)13-18-20(16-8-10-17(27-5)11-9-16)23-25-15(4)12-14(3)22-21(18)25/h8-12H,6-7,13H2,1-5H3
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12n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50430876
PNG
(CHEMBL2336473)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)c(Cl)c(C)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H25ClN4O2/c1-6-25(7-2)18(27)12-17-20(15-8-10-16(28-5)11-9-15)24-26-14(4)19(22)13(3)23-21(17)26/h8-11H,6-7,12H2,1-5H3
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55n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50430887
PNG
(CHEMBL2336479)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)c(Cl)c(C)nc12)-c1ccc(OCCF)cc1
Show InChI InChI=1S/C22H26ClFN4O2/c1-5-27(6-2)19(29)13-18-21(16-7-9-17(10-8-16)30-12-11-24)26-28-15(4)20(23)14(3)25-22(18)28/h7-10H,5-6,11-13H2,1-4H3
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68n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50430886
PNG
(CHEMBL2336476)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)c(C)c(C)nc12)-c1ccc(OCCF)cc1
Show InChI InChI=1S/C23H29FN4O2/c1-6-27(7-2)21(29)14-20-22(18-8-10-19(11-9-18)30-13-12-24)26-28-17(5)15(3)16(4)25-23(20)28/h8-11H,6-7,12-14H2,1-5H3
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83n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50430885
PNG
(CHEMBL2336482)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)c(C)c(C)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C22H28N4O2/c1-7-25(8-2)20(27)13-19-21(17-9-11-18(28-6)12-10-17)24-26-16(5)14(3)15(4)23-22(19)26/h9-12H,7-8,13H2,1-6H3
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94n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50430884
PNG
(CHEMBL2336483)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)c(CC)c(C)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H30N4O2/c1-7-19-15(4)24-23-20(14-21(28)26(8-2)9-3)22(25-27(23)16(19)5)17-10-12-18(29-6)13-11-17/h10-13H,7-9,14H2,1-6H3
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157n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50430883
PNG
(CHEMBL2336484)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)c(CC(C)=O)c(C)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C24H30N4O3/c1-7-27(8-2)22(30)14-21-23(18-9-11-19(31-6)12-10-18)26-28-17(5)20(13-15(3)29)16(4)25-24(21)28/h9-12H,7-8,13-14H2,1-6H3
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201n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50430882
PNG
(CHEMBL2336478)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)c(CC(C)=O)c(C)nc12)-c1ccc(OCCF)cc1
Show InChI InChI=1S/C25H31FN4O3/c1-6-29(7-2)23(32)15-22-24(19-8-10-20(11-9-19)33-13-12-26)28-30-18(5)21(14-16(3)31)17(4)27-25(22)30/h8-11H,6-7,12-15H2,1-5H3
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252n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50430881
PNG
(CHEMBL2336477)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)c(CC)c(C)nc12)-c1ccc(OCCF)cc1
Show InChI InChI=1S/C24H31FN4O2/c1-6-20-16(4)26-24-21(15-22(30)28(7-2)8-3)23(27-29(24)17(20)5)18-9-11-19(12-10-18)31-14-13-25/h9-12H,6-8,13-15H2,1-5H3
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277n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50430879
PNG
(CHEMBL2336475)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(cc(nc12)C(C)C)C(C)C)-c1ccc(OCCF)cc1
Show InChI InChI=1S/C26H35FN4O2/c1-7-30(8-2)24(32)15-21-25(19-9-11-20(12-10-19)33-14-13-27)29-31-23(18(5)6)16-22(17(3)4)28-26(21)31/h9-12,16-18H,7-8,13-15H2,1-6H3
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>500n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50430880
PNG
(CHEMBL2336481)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(cc(nc12)C(C)C)C(C)C)-c1ccc(OC)cc1
Show InChI InChI=1S/C25H34N4O2/c1-8-28(9-2)23(30)14-20-24(18-10-12-19(31-7)13-11-18)27-29-22(17(5)6)15-21(16(3)4)26-25(20)29/h10-13,15-17H,8-9,14H2,1-7H3
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>500n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
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))
BDBM50361196
PNG
(CHEMBL1934327)
Show SMILES CN1CCC(COc2ccc3c(Nc4ccc(NC(=O)Nc5cccc(F)c5)cc4)ncnc3c2)CC1
Show InChI InChI=1S/C28H29FN6O2/c1-35-13-11-19(12-14-35)17-37-24-9-10-25-26(16-24)30-18-31-27(25)32-21-5-7-22(8-6-21)33-28(36)34-23-4-2-3-20(29)15-23/h2-10,15-16,18-19H,11-14,17H2,1H3,(H,30,31,32)(H2,33,34,36)
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n/an/a 5.5n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged VEGFR2 intracellular domain using biotin-aminohexyl-EEEEYFELVAKKKK-NH2 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 22: 110-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.061
BindingDB Entry DOI: 10.7270/Q2H132FD
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50361196
PNG
(CHEMBL1934327)
Show SMILES CN1CCC(COc2ccc3c(Nc4ccc(NC(=O)Nc5cccc(F)c5)cc4)ncnc3c2)CC1
Show InChI InChI=1S/C28H29FN6O2/c1-35-13-11-19(12-14-35)17-37-24-9-10-25-26(16-24)30-18-31-27(25)32-21-5-7-22(8-6-21)33-28(36)34-23-4-2-3-20(29)15-23/h2-10,15-16,18-19H,11-14,17H2,1H3,(H,30,31,32)(H2,33,34,36)
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n/an/a 9.60n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3


Bioorg Med Chem Lett 22: 110-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.061
BindingDB Entry DOI: 10.7270/Q2H132FD
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))
BDBM50361200
PNG
(CHEMBL1934331)
Show SMILES CN1CCC(COc2ccc3c(Nc4ccc(NC(=O)Nc5cccc(F)c5)c(F)c4)ncnc3c2)CC1
Show InChI InChI=1S/C28H28F2N6O2/c1-36-11-9-18(10-12-36)16-38-22-6-7-23-26(15-22)31-17-32-27(23)33-21-5-8-25(24(30)14-21)35-28(37)34-20-4-2-3-19(29)13-20/h2-8,13-15,17-18H,9-12,16H2,1H3,(H,31,32,33)(H2,34,35,37)
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n/an/a 15n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged VEGFR2 intracellular domain using biotin-aminohexyl-EEEEYFELVAKKKK-NH2 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 22: 110-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.061
BindingDB Entry DOI: 10.7270/Q2H132FD
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))
BDBM50361202
PNG
(CHEMBL1933080)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C29H31FN6O3/c1-36-12-10-19(11-13-36)17-39-27-16-25-24(15-26(27)38-2)28(32-18-31-25)33-21-6-8-22(9-7-21)34-29(37)35-23-5-3-4-20(30)14-23/h3-9,14-16,18-19H,10-13,17H2,1-2H3,(H,31,32,33)(H2,34,35,37)
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n/an/a 16n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged VEGFR2 intracellular domain using biotin-aminohexyl-EEEEYFELVAKKKK-NH2 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 22: 110-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.061
BindingDB Entry DOI: 10.7270/Q2H132FD
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))
BDBM50361203
PNG
(CHEMBL1934333)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4cccc(F)c4)c(F)c3)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C29H30F2N6O3/c1-37-10-8-18(9-11-37)16-40-27-15-25-22(14-26(27)39-2)28(33-17-32-25)34-21-6-7-24(23(31)13-21)36-29(38)35-20-5-3-4-19(30)12-20/h3-7,12-15,17-18H,8-11,16H2,1-2H3,(H,32,33,34)(H2,35,36,38)
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n/an/a 17n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged VEGFR2 intracellular domain using biotin-aminohexyl-EEEEYFELVAKKKK-NH2 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 22: 110-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.061
BindingDB Entry DOI: 10.7270/Q2H132FD
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))
BDBM50361201
PNG
(CHEMBL1934332)
Show SMILES CN1CCC(COc2ccc3c(Nc4ccc(NC(=O)Nc5cccc(F)c5)c(Cl)c4)ncnc3c2)CC1
Show InChI InChI=1S/C28H28ClFN6O2/c1-36-11-9-18(10-12-36)16-38-22-6-7-23-26(15-22)31-17-32-27(23)33-21-5-8-25(24(29)14-21)35-28(37)34-20-4-2-3-19(30)13-20/h2-8,13-15,17-18H,9-12,16H2,1H3,(H,31,32,33)(H2,34,35,37)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged VEGFR2 intracellular domain using biotin-aminohexyl-EEEEYFELVAKKKK-NH2 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 22: 110-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.061
BindingDB Entry DOI: 10.7270/Q2H132FD
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))
BDBM50361195
PNG
(CHEMBL1934326)
Show SMILES CN1CCC(COc2ccc3c(Nc4ccc(NC(=O)Nc5ccc(Cl)c(c5)C(F)(F)F)cc4)ncnc3c2)CC1
Show InChI InChI=1S/C29H28ClF3N6O2/c1-39-12-10-18(11-13-39)16-41-22-7-8-23-26(15-22)34-17-35-27(23)36-19-2-4-20(5-3-19)37-28(40)38-21-6-9-25(30)24(14-21)29(31,32)33/h2-9,14-15,17-18H,10-13,16H2,1H3,(H,34,35,36)(H2,37,38,40)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged VEGFR2 intracellular domain using biotin-aminohexyl-EEEEYFELVAKKKK-NH2 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 22: 110-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.061
BindingDB Entry DOI: 10.7270/Q2H132FD
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))
BDBM50361197
PNG
(CHEMBL1934328)
Show SMILES CN1CCC(COc2ccc3c(Nc4ccc(NC(=O)Nc5ccc(F)c(F)c5)cc4)ncnc3c2)CC1
Show InChI InChI=1S/C28H28F2N6O2/c1-36-12-10-18(11-13-36)16-38-22-7-8-23-26(15-22)31-17-32-27(23)33-19-2-4-20(5-3-19)34-28(37)35-21-6-9-24(29)25(30)14-21/h2-9,14-15,17-18H,10-13,16H2,1H3,(H,31,32,33)(H2,34,35,37)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged VEGFR2 intracellular domain using biotin-aminohexyl-EEEEYFELVAKKKK-NH2 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 22: 110-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.061
BindingDB Entry DOI: 10.7270/Q2H132FD
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))
BDBM21
PNG
(6-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(5-carboxypentyl)-...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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n/an/a 35n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged VEGFR2 intracellular domain using biotin-aminohexyl-EEEEYFELVAKKKK-NH2 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 22: 110-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.061
BindingDB Entry DOI: 10.7270/Q2H132FD
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))
BDBM50361198
PNG
(CHEMBL1934329)
Show SMILES CN1CCC(COc2ccc3c(Nc4ccc(NC(=O)Nc5ccc(C)c(Br)c5)cc4)ncnc3c2)CC1
Show InChI InChI=1S/C29H31BrN6O2/c1-19-3-4-23(15-26(19)30)35-29(37)34-22-7-5-21(6-8-22)33-28-25-10-9-24(16-27(25)31-18-32-28)38-17-20-11-13-36(2)14-12-20/h3-10,15-16,18,20H,11-14,17H2,1-2H3,(H,31,32,33)(H2,34,35,37)
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n/an/a 45n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged VEGFR2 intracellular domain using biotin-aminohexyl-EEEEYFELVAKKKK-NH2 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 22: 110-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.061
BindingDB Entry DOI: 10.7270/Q2H132FD
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))
BDBM50361199
PNG
(CHEMBL1934330)
Show SMILES CN1CCC(COc2ccc3c(Nc4ccc(NC(=O)Nc5ccc(Br)cc5F)cc4)ncnc3c2)CC1
Show InChI InChI=1S/C28H28BrFN6O2/c1-36-12-10-18(11-13-36)16-38-22-7-8-23-26(15-22)31-17-32-27(23)33-20-3-5-21(6-4-20)34-28(37)35-25-9-2-19(29)14-24(25)30/h2-9,14-15,17-18H,10-13,16H2,1H3,(H,31,32,33)(H2,34,35,37)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged VEGFR2 intracellular domain using biotin-aminohexyl-EEEEYFELVAKKKK-NH2 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 22: 110-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.061
BindingDB Entry DOI: 10.7270/Q2H132FD
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))
BDBM50361190
PNG
(CHEMBL1934321)
Show SMILES CN1CCC(COc2ccc3c(Nc4ccc(CC(=O)Nc5cccc(F)c5)cc4)ncnc3c2)CC1
Show InChI InChI=1S/C29H30FN5O2/c1-35-13-11-21(12-14-35)18-37-25-9-10-26-27(17-25)31-19-32-29(26)34-23-7-5-20(6-8-23)15-28(36)33-24-4-2-3-22(30)16-24/h2-10,16-17,19,21H,11-15,18H2,1H3,(H,33,36)(H,31,32,34)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged VEGFR2 intracellular domain using biotin-aminohexyl-EEEEYFELVAKKKK-NH2 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 22: 110-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.061
BindingDB Entry DOI: 10.7270/Q2H132FD
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))
BDBM50361191
PNG
(CHEMBL1934322)
Show SMILES CN1CCC(COc2ccc3c(Nc4ccc(CC(=O)Nc5ccc(F)c(F)c5)cc4)ncnc3c2)CC1
Show InChI InChI=1S/C29H29F2N5O2/c1-36-12-10-20(11-13-36)17-38-23-7-8-24-27(16-23)32-18-33-29(24)35-21-4-2-19(3-5-21)14-28(37)34-22-6-9-25(30)26(31)15-22/h2-9,15-16,18,20H,10-14,17H2,1H3,(H,34,37)(H,32,33,35)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged VEGFR2 intracellular domain using biotin-aminohexyl-EEEEYFELVAKKKK-NH2 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 22: 110-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.061
BindingDB Entry DOI: 10.7270/Q2H132FD
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))
BDBM50361189
PNG
(CHEMBL1934320)
Show SMILES CN1CCC(COc2ccc3c(Nc4ccc(CC(=O)Nc5ccc(Cl)c(c5)C(F)(F)F)cc4)ncnc3c2)CC1
Show InChI InChI=1S/C30H29ClF3N5O2/c1-39-12-10-20(11-13-39)17-41-23-7-8-24-27(16-23)35-18-36-29(24)38-21-4-2-19(3-5-21)14-28(40)37-22-6-9-26(31)25(15-22)30(32,33)34/h2-9,15-16,18,20H,10-14,17H2,1H3,(H,37,40)(H,35,36,38)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged VEGFR2 intracellular domain using biotin-aminohexyl-EEEEYFELVAKKKK-NH2 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 22: 110-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.061
BindingDB Entry DOI: 10.7270/Q2H132FD
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))
BDBM50361193
PNG
(CHEMBL1934324)
Show SMILES CN1CCC(COc2ccc3c(Nc4ccc(NC(=O)NC5CC5)cc4)ncnc3c2)CC1
Show InChI InChI=1S/C25H30N6O2/c1-31-12-10-17(11-13-31)15-33-21-8-9-22-23(14-21)26-16-27-24(22)28-18-2-4-19(5-3-18)29-25(32)30-20-6-7-20/h2-5,8-9,14,16-17,20H,6-7,10-13,15H2,1H3,(H,26,27,28)(H2,29,30,32)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged VEGFR2 intracellular domain using biotin-aminohexyl-EEEEYFELVAKKKK-NH2 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 22: 110-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.061
BindingDB Entry DOI: 10.7270/Q2H132FD
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))
BDBM50361192
PNG
(CHEMBL1934323)
Show SMILES CCNC(=O)Nc1ccc(Nc2ncnc3cc(OCC4CCN(C)CC4)ccc23)cc1
Show InChI InChI=1S/C24H30N6O2/c1-3-25-24(31)29-19-6-4-18(5-7-19)28-23-21-9-8-20(14-22(21)26-16-27-23)32-15-17-10-12-30(2)13-11-17/h4-9,14,16-17H,3,10-13,15H2,1-2H3,(H2,25,29,31)(H,26,27,28)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged VEGFR2 intracellular domain using biotin-aminohexyl-EEEEYFELVAKKKK-NH2 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 22: 110-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.061
BindingDB Entry DOI: 10.7270/Q2H132FD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 200n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry


Bioorg Med Chem Lett 26: 677-83 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50361194
PNG
(CHEMBL1934325)
Show SMILES CN1CCC(COc2ccc3c(Nc4ccc(NC(=O)NC5CCCCC5)cc4)ncnc3c2)CC1
Show InChI InChI=1S/C28H36N6O2/c1-34-15-13-20(14-16-34)18-36-24-11-12-25-26(17-24)29-19-30-27(25)31-22-7-9-23(10-8-22)33-28(35)32-21-5-3-2-4-6-21/h7-12,17,19-21H,2-6,13-16,18H2,1H3,(H,29,30,31)(H2,32,33,35)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged VEGFR2 intracellular domain using biotin-aminohexyl-EEEEYFELVAKKKK-NH2 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 22: 110-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.061
BindingDB Entry DOI: 10.7270/Q2H132FD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50134262
PNG
(CHEMBL3746557)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(cc1)C(F)(F)F |c:4|
Show InChI InChI=1/C25H22F3N5O5/c1-15-29-14-23(33(36)37)31(15)11-12-38-24(35)19-5-3-18(4-6-19)22-13-21(30-32(22)16(2)34)17-7-9-20(10-8-17)25(26,27)28/h3-10,14,22H,11-13H2,1-2H3
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Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry


Bioorg Med Chem Lett 26: 677-83 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WH9
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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Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry


Bioorg Med Chem Lett 26: 677-83 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50134262
PNG
(CHEMBL3746557)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(cc1)C(F)(F)F |c:4|
Show InChI InChI=1/C25H22F3N5O5/c1-15-29-14-23(33(36)37)31(15)11-12-38-24(35)19-5-3-18(4-6-19)22-13-21(30-32(22)16(2)34)17-7-9-20(10-8-17)25(26,27)28/h3-10,14,22H,11-13H2,1-2H3
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Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry


Bioorg Med Chem Lett 26: 677-83 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 410n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...


Bioorg Med Chem Lett 26: 677-83 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50016095
PNG
(CHEMBL3261192)
Show SMILES [O-][N+](=O)c1cnc(\C=C/c2c(F)cccc2Cl)n1CCOC(=O)c1cccc2OCCOc12
Show InChI InChI=1S/C22H17ClFN3O6/c23-16-4-2-5-17(24)14(16)7-8-19-25-13-20(27(29)30)26(19)9-10-33-22(28)15-3-1-6-18-21(15)32-12-11-31-18/h1-8,13H,9-12H2/b8-7-
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n/an/a 450n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method


Bioorg Med Chem 22: 2947-54 (2014)


Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method


Bioorg Med Chem 22: 2947-54 (2014)


Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50134262
PNG
(CHEMBL3746557)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(cc1)C(F)(F)F |c:4|
Show InChI InChI=1/C25H22F3N5O5/c1-15-29-14-23(33(36)37)31(15)11-12-38-24(35)19-5-3-18(4-6-19)22-13-21(30-32(22)16(2)34)17-7-9-20(10-8-17)25(26,27)28/h3-10,14,22H,11-13H2,1-2H3
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n/an/a 510n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...


Bioorg Med Chem Lett 26: 677-83 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WH9
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 540n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...


Bioorg Med Chem Lett 26: 677-83 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50134236
PNG
(CHEMBL3746473)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(cc1)[N+]([O-])=O |c:4|
Show InChI InChI=1/C24H22N6O7/c1-15-25-14-23(30(35)36)27(15)11-12-37-24(32)19-5-3-18(4-6-19)22-13-21(26-28(22)16(2)31)17-7-9-20(10-8-17)29(33)34/h3-10,14,22H,11-13H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry


Bioorg Med Chem Lett 26: 677-83 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50134236
PNG
(CHEMBL3746473)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(cc1)[N+]([O-])=O |c:4|
Show InChI InChI=1/C24H22N6O7/c1-15-25-14-23(30(35)36)27(15)11-12-37-24(32)19-5-3-18(4-6-19)22-13-21(26-28(22)16(2)31)17-7-9-20(10-8-17)29(33)34/h3-10,14,22H,11-13H2,1-2H3
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n/an/a 601n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry


Bioorg Med Chem Lett 26: 677-83 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase (TryRS)


(Staphylococcus aureus (Firmicutes))
BDBM199134
PNG
(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-5-(4-m...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O
Show InChI InChI=1S/C23H21N5O5/c1-16-24-15-22(28(30)31)26(16)12-13-33-23(29)20-14-21(17-8-10-19(32-2)11-9-17)27(25-20)18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3
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n/an/a 920n/an/an/an/a7.9n/a



Nanjing University



Assay Description
The assays were conducted at 37 C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...


Chem Biol Drug Des 88: 592-8 (2016)


Article DOI: 10.1111/cbdd.12793
BindingDB Entry DOI: 10.7270/Q2V69HDF
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50016096
PNG
(CHEMBL3261193)
Show SMILES [O-][N+](=O)c1cnc(\C=C/c2cccc3ccccc23)n1CCOC(=O)c1cccc2OCCOc12
Show InChI InChI=1S/C26H21N3O6/c30-26(21-9-4-10-22-25(21)34-16-15-33-22)35-14-13-28-23(27-17-24(28)29(31)32)12-11-19-7-3-6-18-5-1-2-8-20(18)19/h1-12,17H,13-16H2/b12-11-
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n/an/a 1.01E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method


Bioorg Med Chem 22: 2947-54 (2014)


Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50134258
PNG
(CHEMBL3746711)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(I)cc1 |c:4|
Show InChI InChI=1/C24H22IN5O5/c1-15-26-14-23(30(33)34)28(15)11-12-35-24(32)19-5-3-18(4-6-19)22-13-21(27-29(22)16(2)31)17-7-9-20(25)10-8-17/h3-10,14,22H,11-13H2,1-2H3
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n/an/a 1.26E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry


Bioorg Med Chem Lett 26: 677-83 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50134258
PNG
(CHEMBL3746711)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(I)cc1 |c:4|
Show InChI InChI=1/C24H22IN5O5/c1-15-26-14-23(30(33)34)28(15)11-12-35-24(32)19-5-3-18(4-6-19)22-13-21(27-29(22)16(2)31)17-7-9-20(25)10-8-17/h3-10,14,22H,11-13H2,1-2H3
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n/an/a 1.26E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry


Bioorg Med Chem Lett 26: 677-83 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50361196
PNG
(CHEMBL1934327)
Show SMILES CN1CCC(COc2ccc3c(Nc4ccc(NC(=O)Nc5cccc(F)c5)cc4)ncnc3c2)CC1
Show InChI InChI=1S/C28H29FN6O2/c1-35-13-11-19(12-14-35)17-37-24-9-10-25-26(16-24)30-18-31-27(25)32-21-5-7-22(8-6-21)33-28(36)34-23-4-2-3-20(29)15-23/h2-10,15-16,18-19H,11-14,17H2,1H3,(H,30,31,32)(H2,33,34,36)
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n/an/a 1.36E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha


Bioorg Med Chem Lett 22: 110-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.061
BindingDB Entry DOI: 10.7270/Q2H132FD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50134241
PNG
(CHEMBL3746642)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(cc1)[N+]([O-])=O |c:25|
Show InChI InChI=1/C25H24N6O7/c1-15(14-28-16(2)26-13-24(28)31(36)37)38-25(33)20-6-4-19(5-7-20)23-12-22(27-29(23)17(3)32)18-8-10-21(11-9-18)30(34)35/h4-11,13,15,23H,12,14H2,1-3H3
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n/an/a 1.45E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry


Bioorg Med Chem Lett 26: 677-83 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50134241
PNG
(CHEMBL3746642)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(cc1)[N+]([O-])=O |c:25|
Show InChI InChI=1/C25H24N6O7/c1-15(14-28-16(2)26-13-24(28)31(36)37)38-25(33)20-6-4-19(5-7-20)23-12-22(27-29(23)17(3)32)18-8-10-21(11-9-18)30(34)35/h4-11,13,15,23H,12,14H2,1-3H3
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n/an/a 1.45E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry


Bioorg Med Chem Lett 26: 677-83 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Tyrosyl-tRNA synthetase (TryRS)


(Staphylococcus aureus (Firmicutes))
BDBM199139
PNG
(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1-(4-c...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(Cl)cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O
Show InChI InChI=1S/C23H20ClN5O5/c1-15-25-14-22(29(31)32)27(15)11-12-34-23(30)20-13-21(16-3-9-19(33-2)10-4-16)28(26-20)18-7-5-17(24)6-8-18/h3-10,13-14H,11-12H2,1-2H3
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n/an/a 1.67E+3n/an/an/an/a7.9n/a



Nanjing University



Assay Description
The assays were conducted at 37 C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...


Chem Biol Drug Des 88: 592-8 (2016)


Article DOI: 10.1111/cbdd.12793
BindingDB Entry DOI: 10.7270/Q2V69HDF
More data for this
Ligand-Target Pair
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