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Compile Data Set for Download or QSAR

Found 200 hits with Last Name = 'huang' and Initial = 'cl'   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50096120
PNG
(CHEMBL3593291)
Show SMILES CCc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(Nc3cc(nc(C)n3)N3CCC(N)C3)s2)no1
Show InChI InChI=1/C24H27N9O2S/c1-3-18-10-21(32-35-18)30-23(34)29-17-6-4-15(5-7-17)19-12-26-24(36-19)31-20-11-22(28-14(2)27-20)33-9-8-16(25)13-33/h4-7,10-12,16H,3,8-9,13,25H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,34)
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n/an/a 7n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged VEGFR2 kinase domain (V789 to V1356) (unknown origin) expressed in insect Sf9 cells using polyGlu4:Tyr peptide a...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50249053
PNG
(3-({2-[(2S),4-2S-Cyano-4-fluoropyrrolidin-1-yl]-2-...)
Show SMILES Cc1ncsc1[C@H]1C[C@@H]1NC(=O)CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C19H26FN5O2S/c1-11-18(28-10-22-11)14-5-15(14)24-16(26)6-19(2,3)23-8-17(27)25-9-12(20)4-13(25)7-21/h10,12-15,23H,4-6,8-9H2,1-3H3,(H,24,26)/t12-,13-,14-,15-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 in presence of 50% human serum


Bioorg Med Chem 17: 2388-99 (2009)


Article DOI: 10.1016/j.bmc.2009.02.020
BindingDB Entry DOI: 10.7270/Q2416WZS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50096123
PNG
(CHEMBL3593287)
Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(C)on3)cc2)nc(C)n1
Show InChI InChI=1S/C24H27N9O2S/c1-15-12-21(31-35-15)29-23(34)28-18-6-4-17(5-7-18)19-14-25-24(36-19)30-20-13-22(27-16(2)26-20)33-10-8-32(3)9-11-33/h4-7,12-14H,8-11H2,1-3H3,(H,25,26,27,30)(H2,28,29,31,34)
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n/an/a 10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged FLT3 kinase domain (Y567 to S993) (unknown origin) expressed in baculovirus infected insect Sf9 cells using Her2 p...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50096122
PNG
(CHEMBL3593288)
Show SMILES CCc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(Nc3cc(nc(C)n3)N3CCN(C)CC3)s2)no1
Show InChI InChI=1S/C25H29N9O2S/c1-4-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16(2)27-21)34-11-9-33(3)10-12-34/h5-8,13-15H,4,9-12H2,1-3H3,(H,26,27,28,31)(H2,29,30,32,35)
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n/an/a 10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged VEGFR2 kinase domain (V789 to V1356) (unknown origin) expressed in insect Sf9 cells using polyGlu4:Tyr peptide a...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50095991
PNG
(CHEMBL3593290)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)nc(C)n1
Show InChI InChI=1S/C19H25N7O5/c1-2-21-18(29)15-13(27)14(28)19(31-15)26-10-22-12-16(20)23-11(24-17(12)26)4-3-5-25-6-8-30-9-7-25/h10,13-15,19,27-28H,2,5-9H2,1H3,(H,21,29)(H2,20,23,24)/t13-,14+,15+,19?/m1/s1
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n/an/a 10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of FLT3 ITD F691L mutant (unknown origin) phosphorylation expressed in HEK293T cells preincubated for 1 hr followed by FLT3 ligand additio...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50095991
PNG
(CHEMBL3593290)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)nc(C)n1
Show InChI InChI=1S/C19H25N7O5/c1-2-21-18(29)15-13(27)14(28)19(31-15)26-10-22-12-16(20)23-11(24-17(12)26)4-3-5-25-6-8-30-9-7-25/h10,13-15,19,27-28H,2,5-9H2,1H3,(H,21,29)(H2,20,23,24)/t13-,14+,15+,19?/m1/s1
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n/an/a 10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of FLT3 ITD D835Y mutant (unknown origin) phosphorylation expressed in HEK293T cells preincubated for 1 hr followed by FLT3 ligand additio...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50095991
PNG
(CHEMBL3593290)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)nc(C)n1
Show InChI InChI=1S/C19H25N7O5/c1-2-21-18(29)15-13(27)14(28)19(31-15)26-10-22-12-16(20)23-11(24-17(12)26)4-3-5-25-6-8-30-9-7-25/h10,13-15,19,27-28H,2,5-9H2,1H3,(H,21,29)(H2,20,23,24)/t13-,14+,15+,19?/m1/s1
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n/an/a 10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of FLT3 ITD mutant (unknown origin) phosphorylation expressed in HEK293T cells preincubated for 1 hr followed by FLT3 ligand addition for ...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50095991
PNG
(CHEMBL3593290)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)nc(C)n1
Show InChI InChI=1S/C19H25N7O5/c1-2-21-18(29)15-13(27)14(28)19(31-15)26-10-22-12-16(20)23-11(24-17(12)26)4-3-5-25-6-8-30-9-7-25/h10,13-15,19,27-28H,2,5-9H2,1H3,(H,21,29)(H2,20,23,24)/t13-,14+,15+,19?/m1/s1
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n/an/a 10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3 (unknown origin) phosphorylation expressed in HEK293T cells preincubated for 1 hr followed by FLT3 ligand addition for 5...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50096120
PNG
(CHEMBL3593291)
Show SMILES CCc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(Nc3cc(nc(C)n3)N3CCC(N)C3)s2)no1
Show InChI InChI=1/C24H27N9O2S/c1-3-18-10-21(32-35-18)30-23(34)29-17-6-4-15(5-7-17)19-12-26-24(36-19)31-20-11-22(28-14(2)27-20)33-9-8-16(25)13-33/h4-7,10-12,16H,3,8-9,13,25H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,34)
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n/an/a 14n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged FLT3 kinase domain (Y567 to S993) (unknown origin) expressed in baculovirus infected insect Sf9 cells using Her2 p...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50248621
PNG
(3-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]-2-...)
Show SMILES CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C21H26ClFN4O2/c1-21(2,25-11-20(29)27-12-15(23)7-16(27)10-24)9-19(28)26-18-8-17(18)13-4-3-5-14(22)6-13/h3-6,15-18,25H,7-9,11-12H2,1-2H3,(H,26,28)/t15-,16-,17+,18-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 17: 2388-99 (2009)


Article DOI: 10.1016/j.bmc.2009.02.020
BindingDB Entry DOI: 10.7270/Q2416WZS
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50096119
PNG
(CHEMBL3593292)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(on3)C3CC3)cc2)nc(C)n1
Show InChI InChI=1S/C27H31N9O2S/c1-3-35-10-12-36(13-11-35)25-15-23(29-17(2)30-25)33-27-28-16-22(39-27)19-6-8-20(9-7-19)31-26(37)32-24-14-21(38-34-24)18-4-5-18/h6-9,14-16,18H,3-5,10-13H2,1-2H3,(H,28,29,30,33)(H2,31,32,34,37)
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n/an/a 15n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged VEGFR2 kinase domain (V789 to V1356) (unknown origin) expressed in insect Sf9 cells using polyGlu4:Tyr peptide a...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50096123
PNG
(CHEMBL3593287)
Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(C)on3)cc2)nc(C)n1
Show InChI InChI=1S/C24H27N9O2S/c1-15-12-21(31-35-15)29-23(34)28-18-6-4-17(5-7-18)19-14-25-24(36-19)30-20-13-22(27-16(2)26-20)33-10-8-32(3)9-11-33/h4-7,12-14H,8-11H2,1-3H3,(H,25,26,27,30)(H2,28,29,31,34)
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n/an/a 15n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged VEGFR2 kinase domain (V789 to V1356) (unknown origin) expressed in insect Sf9 cells using polyGlu4:Tyr peptide a...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50249053
PNG
(3-({2-[(2S),4-2S-Cyano-4-fluoropyrrolidin-1-yl]-2-...)
Show SMILES Cc1ncsc1[C@H]1C[C@@H]1NC(=O)CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C19H26FN5O2S/c1-11-18(28-10-22-11)14-5-15(14)24-16(26)6-19(2,3)23-8-17(27)25-9-12(20)4-13(25)7-21/h10,12-15,23H,4-6,8-9H2,1-3H3,(H,24,26)/t12-,13-,14-,15-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 in presence of 50% rat serum


Bioorg Med Chem 17: 2388-99 (2009)


Article DOI: 10.1016/j.bmc.2009.02.020
BindingDB Entry DOI: 10.7270/Q2416WZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50249053
PNG
(3-({2-[(2S),4-2S-Cyano-4-fluoropyrrolidin-1-yl]-2-...)
Show SMILES Cc1ncsc1[C@H]1C[C@@H]1NC(=O)CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C19H26FN5O2S/c1-11-18(28-10-22-11)14-5-15(14)24-16(26)6-19(2,3)23-8-17(27)25-9-12(20)4-13(25)7-21/h10,12-15,23H,4-6,8-9H2,1-3H3,(H,24,26)/t12-,13-,14-,15-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 17: 2388-99 (2009)


Article DOI: 10.1016/j.bmc.2009.02.020
BindingDB Entry DOI: 10.7270/Q2416WZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50248693
PNG
(3-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]-2-...)
Show SMILES CCOc1cccc(c1)[C@H]1C[C@@H]1NC(=O)CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C23H31FN4O3/c1-4-31-18-7-5-6-15(8-18)19-10-20(19)27-21(29)11-23(2,3)26-13-22(30)28-14-16(24)9-17(28)12-25/h5-8,16-17,19-20,26H,4,9-11,13-14H2,1-3H3,(H,27,29)/t16-,17-,19+,20-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 17: 2388-99 (2009)


Article DOI: 10.1016/j.bmc.2009.02.020
BindingDB Entry DOI: 10.7270/Q2416WZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50248620
PNG
(3-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]-2-...)
Show SMILES CC(C)(CC(=O)N[C@H]1C[C@@H]1c1ccccc1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C21H27FN4O2/c1-21(2,24-12-20(28)26-13-15(22)8-16(26)11-23)10-19(27)25-18-9-17(18)14-6-4-3-5-7-14/h3-7,15-18,24H,8-10,12-13H2,1-2H3,(H,25,27)/t15-,16-,17+,18-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 17: 2388-99 (2009)


Article DOI: 10.1016/j.bmc.2009.02.020
BindingDB Entry DOI: 10.7270/Q2416WZS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50096124
PNG
(CHEMBL3593286)
Show SMILES Cc1nc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cc(n1)N1CCNCC1
Show InChI InChI=1S/C25H25ClN8OS/c1-16-29-22(14-23(30-16)34-11-9-27-10-12-34)33-25-28-15-21(36-25)17-5-7-19(8-6-17)31-24(35)32-20-4-2-3-18(26)13-20/h2-8,13-15,27H,9-12H2,1H3,(H2,31,32,35)(H,28,29,30,33)
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n/an/a 20n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged FLT3 kinase domain (Y567 to S993) (unknown origin) expressed in baculovirus infected insect Sf9 cells using Her2 p...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50248694
PNG
(3-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]-2-...)
Show SMILES CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(OC(F)(F)F)c1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C22H26F4N4O3/c1-21(2,28-11-20(32)30-12-14(23)7-15(30)10-27)9-19(31)29-18-8-17(18)13-4-3-5-16(6-13)33-22(24,25)26/h3-6,14-15,17-18,28H,7-9,11-12H2,1-2H3,(H,29,31)/t14-,15-,17+,18-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 17: 2388-99 (2009)


Article DOI: 10.1016/j.bmc.2009.02.020
BindingDB Entry DOI: 10.7270/Q2416WZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50248622
PNG
(3-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]-2-...)
Show SMILES CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C21H26F2N4O2/c1-21(2,25-11-20(29)27-12-15(23)7-16(27)10-24)9-19(28)26-18-8-17(18)13-4-3-5-14(22)6-13/h3-6,15-18,25H,7-9,11-12H2,1-2H3,(H,26,28)/t15-,16-,17+,18-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 17: 2388-99 (2009)


Article DOI: 10.1016/j.bmc.2009.02.020
BindingDB Entry DOI: 10.7270/Q2416WZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50248654
PNG
(3-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]-2-...)
Show SMILES COc1ccc(cc1)[C@H]1C[C@@H]1NC(=O)CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C22H29FN4O3/c1-22(2,25-12-21(29)27-13-15(23)8-16(27)11-24)10-20(28)26-19-9-18(19)14-4-6-17(30-3)7-5-14/h4-7,15-16,18-19,25H,8-10,12-13H2,1-3H3,(H,26,28)/t15-,16-,18+,19-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 17: 2388-99 (2009)


Article DOI: 10.1016/j.bmc.2009.02.020
BindingDB Entry DOI: 10.7270/Q2416WZS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50096121
PNG
(CHEMBL3593289)
Show SMILES CCCCc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(Nc3cc(nc(C)n3)N3CCN(C)CC3)s2)no1
Show InChI InChI=1S/C27H33N9O2S/c1-4-5-6-21-15-24(34-38-21)32-26(37)31-20-9-7-19(8-10-20)22-17-28-27(39-22)33-23-16-25(30-18(2)29-23)36-13-11-35(3)12-14-36/h7-10,15-17H,4-6,11-14H2,1-3H3,(H,28,29,30,33)(H2,31,32,34,37)
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n/an/a 22n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged FLT3 kinase domain (Y567 to S993) (unknown origin) expressed in baculovirus infected insect Sf9 cells using Her2 p...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50247630
PNG
(CHEMBL4068500)
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n/an/a 24n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL




J Med Chem 61: 818-833 (2018)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50249052
PNG
(3-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]-2-...)
Show SMILES CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccnc1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C20H26FN5O2/c1-20(2,24-11-19(28)26-12-14(21)6-15(26)9-22)8-18(27)25-17-7-16(17)13-4-3-5-23-10-13/h3-5,10,14-17,24H,6-8,11-12H2,1-2H3,(H,25,27)/t14-,15-,16+,17-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 17: 2388-99 (2009)


Article DOI: 10.1016/j.bmc.2009.02.020
BindingDB Entry DOI: 10.7270/Q2416WZS
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50095991
PNG
(CHEMBL3593290)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)nc(C)n1
Show InChI InChI=1S/C19H25N7O5/c1-2-21-18(29)15-13(27)14(28)19(31-15)26-10-22-12-16(20)23-11(24-17(12)26)4-3-5-25-6-8-30-9-7-25/h10,13-15,19,27-28H,2,5-9H2,1H3,(H,21,29)(H2,20,23,24)/t13-,14+,15+,19?/m1/s1
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n/an/a 25n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged VEGFR2 kinase domain (V789 to V1356) (unknown origin) expressed in insect Sf9 cells using polyGlu4:Tyr peptide a...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50096115
PNG
(CHEMBL3593296)
Show SMILES Cc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)s2)no1
Show InChI InChI=1S/C27H28N6O5S/c1-18-16-24(32-38-18)30-26(35)29-21-6-2-19(3-7-21)23-17-28-27(39-23)31-25(34)20-4-8-22(9-5-20)37-15-12-33-10-13-36-14-11-33/h2-9,16-17H,10-15H2,1H3,(H,28,31,34)(H2,29,30,32,35)
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n/an/a 25n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged Aurora-A kinase domain (S123 to S401) (unknown origin) expressed in insect Sf9 cells using tetra(LRRASLG) peptid...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50248692
PNG
(3-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]-2-...)
Show SMILES COc1cccc(c1)[C@H]1C[C@@H]1NC(=O)CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C22H29FN4O3/c1-22(2,25-12-21(29)27-13-15(23)8-16(27)11-24)10-20(28)26-19-9-18(19)14-5-4-6-17(7-14)30-3/h4-7,15-16,18-19,25H,8-10,12-13H2,1-3H3,(H,26,28)/t15-,16-,18+,19-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 17: 2388-99 (2009)


Article DOI: 10.1016/j.bmc.2009.02.020
BindingDB Entry DOI: 10.7270/Q2416WZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50248695
PNG
(3-({2-[(2S)-2-Cyano-4,4-difluoropyrrolidin-1-yl]-2...)
Show SMILES CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1)NCC(=O)N1CC(F)(F)C[C@H]1C#N |r|
Show InChI InChI=1S/C21H25ClF2N4O2/c1-20(2,26-11-19(30)28-12-21(23,24)8-15(28)10-25)9-18(29)27-17-7-16(17)13-4-3-5-14(22)6-13/h3-6,15-17,26H,7-9,11-12H2,1-2H3,(H,27,29)/t15-,16+,17-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 17: 2388-99 (2009)


Article DOI: 10.1016/j.bmc.2009.02.020
BindingDB Entry DOI: 10.7270/Q2416WZS
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50247631
PNG
(CHEMBL4060426)
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n/an/a 26n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL




J Med Chem 61: 818-833 (2018)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50248619
PNG
(3-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]-2-...)
Show SMILES CC(C)(CC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C21H26ClFN4O2/c1-21(2,25-11-20(29)27-12-15(23)7-16(27)10-24)9-19(28)26-18-8-17(18)13-4-3-5-14(22)6-13/h3-6,15-18,25H,7-9,11-12H2,1-2H3,(H,26,28)/t15-,16-,17-,18+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 17: 2388-99 (2009)


Article DOI: 10.1016/j.bmc.2009.02.020
BindingDB Entry DOI: 10.7270/Q2416WZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11162
PNG
((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 17: 2388-99 (2009)


Article DOI: 10.1016/j.bmc.2009.02.020
BindingDB Entry DOI: 10.7270/Q2416WZS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50096124
PNG
(CHEMBL3593286)
Show SMILES Cc1nc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cc(n1)N1CCNCC1
Show InChI InChI=1S/C25H25ClN8OS/c1-16-29-22(14-23(30-16)34-11-9-27-10-12-34)33-25-28-15-21(36-25)17-5-7-19(8-6-17)31-24(35)32-20-4-2-3-18(26)13-20/h2-8,13-15,27H,9-12H2,1H3,(H2,31,32,35)(H,28,29,30,33)
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n/an/a 31n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged VEGFR2 kinase domain (V789 to V1356) (unknown origin) expressed in insect Sf9 cells using polyGlu4:Tyr peptide a...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50095991
PNG
(CHEMBL3593290)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)nc(C)n1
Show InChI InChI=1S/C19H25N7O5/c1-2-21-18(29)15-13(27)14(28)19(31-15)26-10-22-12-16(20)23-11(24-17(12)26)4-3-5-25-6-8-30-9-7-25/h10,13-15,19,27-28H,2,5-9H2,1H3,(H,21,29)(H2,20,23,24)/t13-,14+,15+,19?/m1/s1
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n/an/a 32n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged Aurora-A kinase domain (S123 to S401) (unknown origin) expressed in insect Sf9 cells using tetra(LRRASLG) peptid...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50096119
PNG
(CHEMBL3593292)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(on3)C3CC3)cc2)nc(C)n1
Show InChI InChI=1S/C27H31N9O2S/c1-3-35-10-12-36(13-11-35)25-15-23(29-17(2)30-25)33-27-28-16-22(39-27)19-6-8-20(9-7-19)31-26(37)32-24-14-21(38-34-24)18-4-5-18/h6-9,14-16,18H,3-5,10-13H2,1-2H3,(H,28,29,30,33)(H2,31,32,34,37)
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n/an/a 33n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged FLT3 kinase domain (Y567 to S993) (unknown origin) expressed in baculovirus infected insect Sf9 cells using Her2 p...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50247595
PNG
(CHEMBL4064397)
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n/an/a 34n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL




J Med Chem 61: 818-833 (2018)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50247610
PNG
(CHEMBL4070263)
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n/an/a 34n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL




J Med Chem 61: 818-833 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50096119
PNG
(CHEMBL3593292)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(on3)C3CC3)cc2)nc(C)n1
Show InChI InChI=1S/C27H31N9O2S/c1-3-35-10-12-36(13-11-35)25-15-23(29-17(2)30-25)33-27-28-16-22(39-27)19-6-8-20(9-7-19)31-26(37)32-24-14-21(38-34-24)18-4-5-18/h6-9,14-16,18H,3-5,10-13H2,1-2H3,(H,28,29,30,33)(H2,31,32,34,37)
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n/an/a 36n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged Aurora-A kinase domain (S123 to S401) (unknown origin) expressed in insect Sf9 cells using tetra(LRRASLG) peptid...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
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n/an/a 37n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged FLT3 kinase domain (Y567 to S993) (unknown origin) expressed in baculovirus infected insect Sf9 cells using Her2 p...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50096121
PNG
(CHEMBL3593289)
Show SMILES CCCCc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(Nc3cc(nc(C)n3)N3CCN(C)CC3)s2)no1
Show InChI InChI=1S/C27H33N9O2S/c1-4-5-6-21-15-24(34-38-21)32-26(37)31-20-9-7-19(8-10-20)22-17-28-27(39-22)33-23-16-25(30-18(2)29-23)36-13-11-35(3)12-14-36/h7-10,15-17H,4-6,11-14H2,1-3H3,(H,28,29,30,33)(H2,31,32,34,37)
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n/an/a 38n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged Aurora-A kinase domain (S123 to S401) (unknown origin) expressed in insect Sf9 cells using tetra(LRRASLG) peptid...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50096120
PNG
(CHEMBL3593291)
Show SMILES CCc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(Nc3cc(nc(C)n3)N3CCC(N)C3)s2)no1
Show InChI InChI=1/C24H27N9O2S/c1-3-18-10-21(32-35-18)30-23(34)29-17-6-4-15(5-7-17)19-12-26-24(36-19)31-20-11-22(28-14(2)27-20)33-9-8-16(25)13-33/h4-7,10-12,16H,3,8-9,13,25H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,34)
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n/an/a 38n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged Aurora-A kinase domain (S123 to S401) (unknown origin) expressed in insect Sf9 cells using tetra(LRRASLG) peptid...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50095991
PNG
(CHEMBL3593290)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)nc(C)n1
Show InChI InChI=1S/C19H25N7O5/c1-2-21-18(29)15-13(27)14(28)19(31-15)26-10-22-12-16(20)23-11(24-17(12)26)4-3-5-25-6-8-30-9-7-25/h10,13-15,19,27-28H,2,5-9H2,1H3,(H,21,29)(H2,20,23,24)/t13-,14+,15+,19?/m1/s1
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n/an/a 38n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged FLT3 kinase domain (Y567 to S993) (unknown origin) expressed in baculovirus infected insect Sf9 cells using Her2 p...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50096122
PNG
(CHEMBL3593288)
Show SMILES CCc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(Nc3cc(nc(C)n3)N3CCN(C)CC3)s2)no1
Show InChI InChI=1S/C25H29N9O2S/c1-4-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16(2)27-21)34-11-9-33(3)10-12-34/h5-8,13-15H,4,9-12H2,1-3H3,(H,26,27,28,31)(H2,29,30,32,35)
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n/an/a 41n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged Aurora-A kinase domain (S123 to S401) (unknown origin) expressed in insect Sf9 cells using tetra(LRRASLG) peptid...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 42n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged VEGFR2 kinase domain (V789 to V1356) (unknown origin) expressed in insect Sf9 cells using polyGlu4:Tyr peptide a...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50096125
PNG
(CHEMBL3593285)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nc(C)n1
Show InChI InChI=1S/C27H29ClN8OS/c1-3-35-12-14-36(15-13-35)25-16-24(30-18(2)31-25)34-27-29-17-23(38-27)19-4-8-21(9-5-19)32-26(37)33-22-10-6-20(28)7-11-22/h4-11,16-17H,3,12-15H2,1-2H3,(H2,32,33,37)(H,29,30,31,34)
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n/an/a 43n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged VEGFR2 kinase domain (V789 to V1356) (unknown origin) expressed in insect Sf9 cells using polyGlu4:Tyr peptide a...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50096118
PNG
(CHEMBL3593293)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NS(=O)(=O)c3ccccc3)cc2)nc(C)n1
Show InChI InChI=1S/C26H29N7O2S2/c1-3-32-13-15-33(16-14-32)25-17-24(28-19(2)29-25)30-26-27-18-23(36-26)20-9-11-21(12-10-20)31-37(34,35)22-7-5-4-6-8-22/h4-12,17-18,31H,3,13-16H2,1-2H3,(H,27,28,29,30)
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n/an/a 43n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged Aurora-A kinase domain (S123 to S401) (unknown origin) expressed in insect Sf9 cells using tetra(LRRASLG) peptid...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 44n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged FLT3 kinase domain (Y567 to S993) (unknown origin) expressed in baculovirus infected insect Sf9 cells using Her2 p...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50248618
PNG
(3-({2-[(2S)-2-Cyanopyrrolidin-1-yl]-2-oxoethyl}ami...)
Show SMILES CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C21H27ClN4O2/c1-21(2,24-13-20(28)26-8-4-7-16(26)12-23)11-19(27)25-18-10-17(18)14-5-3-6-15(22)9-14/h3,5-6,9,16-18,24H,4,7-8,10-11,13H2,1-2H3,(H,25,27)/t16-,17+,18-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 17: 2388-99 (2009)


Article DOI: 10.1016/j.bmc.2009.02.020
BindingDB Entry DOI: 10.7270/Q2416WZS
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50247609
PNG
(CHEMBL4091201)
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n/an/a 47n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL




J Med Chem 61: 818-833 (2018)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50248618
PNG
(3-({2-[(2S)-2-Cyanopyrrolidin-1-yl]-2-oxoethyl}ami...)
Show SMILES CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C21H27ClN4O2/c1-21(2,24-13-20(28)26-8-4-7-16(26)12-23)11-19(27)25-18-10-17(18)14-5-3-6-15(22)9-14/h3,5-6,9,16-18,24H,4,7-8,10-11,13H2,1-2H3,(H,25,27)/t16-,17+,18-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 17: 2388-99 (2009)


Article DOI: 10.1016/j.bmc.2009.02.020
BindingDB Entry DOI: 10.7270/Q2416WZS
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50247621
PNG
(CHEMBL4078499)
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n/an/a 48n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL




J Med Chem 61: 818-833 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50096122
PNG
(CHEMBL3593288)
Show SMILES CCc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(Nc3cc(nc(C)n3)N3CCN(C)CC3)s2)no1
Show InChI InChI=1S/C25H29N9O2S/c1-4-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16(2)27-21)34-11-9-33(3)10-12-34/h5-8,13-15H,4,9-12H2,1-3H3,(H,26,27,28,31)(H2,29,30,32,35)
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n/an/a 49n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged FLT3 kinase domain (Y567 to S993) (unknown origin) expressed in baculovirus infected insect Sf9 cells using Her2 p...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
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