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Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'frankshun' and Initial = 'r'   
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
Neutrophil elastase


(Homo sapiens (Human))		BDBM50016904
PNG
(CHEMBL3273012)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NN(C)C(=O)O[C@@H](C)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C25H36N6O7/c1-15(27-18(4)32)21(33)28-16(2)24(36)31-13-9-12-20(31)23(35)29-30(5)25(37)38-17(3)22(34)26-14-19-10-7-6-8-11-19/h6-8,10-11,15-17,20H,9,12-14H2,1-5H3,(H,26,34)(H,27,32)(H,28,33)(H,29,35)/t15-,16-,17-,20-/m0/s1
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 2.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human granulocyte elastase using Ac-Ala-Ala-Pro-Ala-p-nitroanilide as substrate by Dixon plot analysis

J Med Chem 20: 1464-8 (1977)


BindingDB Entry DOI: 10.7270/Q2WQ05BG
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50016905
PNG
(CHEMBL3273010)
Show SMILES CNC(=O)[C@H](C)OC(=O)N(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C19H32N6O7/c1-10(21-13(4)26)15(27)22-11(2)18(30)25-9-7-8-14(25)17(29)23-24(6)19(31)32-12(3)16(28)20-5/h10-12,14H,7-9H2,1-6H3,(H,20,28)(H,21,26)(H,22,27)(H,23,29)/t10-,11-,12-,14-/m0/s1
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 3.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human granulocyte elastase using Ac-Ala-Ala-Pro-Ala-p-nitroanilide as substrate by Dixon plot analysis

J Med Chem 20: 1464-8 (1977)


BindingDB Entry DOI: 10.7270/Q2WQ05BG
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50016903
PNG
(CHEMBL3273013)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NN(C)C(=O)O[C@@H](C)C(=O)NN |r|
Show InChI InChI=1S/C18H31N7O7/c1-9(20-12(4)26)14(27)21-10(2)17(30)25-8-6-7-13(25)16(29)23-24(5)18(31)32-11(3)15(28)22-19/h9-11,13H,6-8,19H2,1-5H3,(H,20,26)(H,21,27)(H,22,28)(H,23,29)/t9-,10-,11-,13-/m0/s1
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 3.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human granulocyte elastase using Ac-Ala-Ala-Pro-Ala-p-nitroanilide as substrate by Dixon plot analysis

J Med Chem 20: 1464-8 (1977)


BindingDB Entry DOI: 10.7270/Q2WQ05BG
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50016929
PNG
(CHEMBL3273011)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NN(C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C24H34N6O7/c1-14(25-17(4)31)20(32)26-15(2)23(35)30-13-9-12-19(30)22(34)28-29(5)24(36)37-16(3)21(33)27-18-10-7-6-8-11-18/h6-8,10-11,14-16,19H,9,12-13H2,1-5H3,(H,25,31)(H,26,32)(H,27,33)(H,28,34)/t14-,15-,16-,19-/m0/s1
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 3.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human granulocyte elastase using Ac-Ala-Ala-Pro-Ala-p-nitroanilide as substrate by Dixon plot analysis

J Med Chem 20: 1464-8 (1977)


BindingDB Entry DOI: 10.7270/Q2WQ05BG
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50016930
PNG
(CHEMBL3273008)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NN(C)C(=O)O[C@@H](C)C(N)=O |r|
Show InChI InChI=1S/C18H30N6O7/c1-9(20-12(4)25)15(27)21-10(2)17(29)24-8-6-7-13(24)16(28)22-23(5)18(30)31-11(3)14(19)26/h9-11,13H,6-8H2,1-5H3,(H2,19,26)(H,20,25)(H,21,27)(H,22,28)/t9-,10-,11-,13-/m0/s1
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 3.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human granulocyte elastase using Ac-Ala-Ala-Pro-Ala-p-nitroanilide as substrate by Dixon plot analysis

J Med Chem 20: 1464-8 (1977)


BindingDB Entry DOI: 10.7270/Q2WQ05BG
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50016906
PNG
(CHEMBL3273009)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N1CCC[C@H]1C(=O)NN(C)C(=O)OC(C)C(N)=O |r|
Show InChI InChI=1S/C20H32N6O7/c1-11(22-17(29)14-7-5-9-25(14)13(3)27)19(31)26-10-6-8-15(26)18(30)23-24(4)20(32)33-12(2)16(21)28/h11-12,14-15H,5-10H2,1-4H3,(H2,21,28)(H,22,29)(H,23,30)/t11-,12?,14-,15-/m0/s1
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 3.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human granulocyte elastase using Ac-Ala-Ala-Pro-Ala-p-nitroanilide as substrate by Dixon plot analysis

J Med Chem 20: 1464-8 (1977)


BindingDB Entry DOI: 10.7270/Q2WQ05BG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of protein kinase Jak 2

Bioorg Med Chem Lett 12: 1219-23 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Tyrosine kinase 2 kinase

Bioorg Med Chem Lett 12: 1219-23 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of protein kinase Jak 3

Bioorg Med Chem Lett 12: 1219-23 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Mus musculus)		BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of murine Jak 1 protein kinase

Bioorg Med Chem Lett 12: 1219-23 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 1/2


(Ovis aries (Sheep))		BDBM50226348
PNG
(CHEMBL284705)
Show SMILES CC(C(O)=O)c1ccc2OCc3ccccc3Oc2c1
Show InChI InChI=1S/C16H14O4/c1-10(16(17)18)11-6-7-14-15(8-11)20-13-5-3-2-4-12(13)9-19-14/h2-8,10H,9H2,1H3,(H,17,18)
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase of ram seminal vesicle microsomes

J Med Chem 29: 1436-41 (1986)


BindingDB Entry DOI: 10.7270/Q2X06974
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Ovis aries (Sheep))		BDBM50226339
PNG
(CHEMBL33378)
Show SMILES OC(=O)Cc1ccc2Oc3ccccc3OCc2c1
Show InChI InChI=1S/C15H12O4/c16-15(17)8-10-5-6-12-11(7-10)9-18-13-3-1-2-4-14(13)19-12/h1-7H,8-9H2,(H,16,17)
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase of ram seminal vesicle microsomes

J Med Chem 29: 1436-41 (1986)


BindingDB Entry DOI: 10.7270/Q2X06974
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))		BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mitogen-activated protein kinase ERK

Bioorg Med Chem Lett 12: 1219-23 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of I-kappa-B kinase 2

Bioorg Med Chem Lett 12: 1219-23 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Ovis aries (Sheep))		BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase of ram seminal vesicle microsomes

J Med Chem 29: 1436-41 (1986)


BindingDB Entry DOI: 10.7270/Q2X06974
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 1/2


(Ovis aries (Sheep))		BDBM50226341
PNG
(CHEMBL33987)
Show SMILES CC(C(O)=O)c1ccc2Oc3ccccc3COc2c1
Show InChI InChI=1S/C16H14O4/c1-10(16(17)18)11-6-7-14-15(8-11)19-9-12-4-2-3-5-13(12)20-14/h2-8,10H,9H2,1H3,(H,17,18)
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase of ram seminal vesicle microsomes

J Med Chem 29: 1436-41 (1986)


BindingDB Entry DOI: 10.7270/Q2X06974
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))		BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 500n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of protein kinase Fyn

Bioorg Med Chem Lett 12: 1219-23 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))		BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 690n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 3

Bioorg Med Chem Lett 12: 1219-23 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))		BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 940n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitin of Fibroblast growth factor receptor 2

Bioorg Med Chem Lett 12: 1219-23 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))		BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C alpha

Bioorg Med Chem Lett 12: 1219-23 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Ovis aries (Sheep))		BDBM50226346
PNG
(CHEMBL34003)
Show SMILES CC(C(=O)OCCNC(C)=O)c1ccc2OCc3ccccc3Oc2c1
Show InChI InChI=1S/C20H21NO5/c1-13(20(23)24-10-9-21-14(2)22)15-7-8-18-19(11-15)26-17-6-4-3-5-16(17)12-25-18/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,22)
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n/an/a 1.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase of ram seminal vesicle microsomes

J Med Chem 29: 1436-41 (1986)


BindingDB Entry DOI: 10.7270/Q2X06974
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2

Bioorg Med Chem Lett 12: 1219-23 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Ovis aries (Sheep))		BDBM50226349
PNG
(CHEMBL32961)
Show SMILES OC(=O)Cc1ccc2OCc3ccccc3Oc2c1
Show InChI InChI=1S/C15H12O4/c16-15(17)8-10-5-6-13-14(7-10)19-12-4-2-1-3-11(12)9-18-13/h1-7H,8-9H2,(H,16,17)
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase of ram seminal vesicle microsomes

J Med Chem 29: 1436-41 (1986)


BindingDB Entry DOI: 10.7270/Q2X06974
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Ovis aries (Sheep))		BDBM50226342
PNG
(CHEMBL285188)
Show SMILES COC(=O)C(C)c1ccc2OCc3ccccc3Oc2c1
Show InChI InChI=1S/C17H16O4/c1-11(17(18)19-2)12-7-8-15-16(9-12)21-14-6-4-3-5-13(14)10-20-15/h3-9,11H,10H2,1-2H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase of ram seminal vesicle microsomes

J Med Chem 29: 1436-41 (1986)


BindingDB Entry DOI: 10.7270/Q2X06974
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1/2/3/4


(Homo sapiens (Human))		BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 1.48E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Fibroblast growth factor receptor

Bioorg Med Chem Lett 12: 1219-23 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))		BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 1.49E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor

Bioorg Med Chem Lett 12: 1219-23 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))		BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 1.52E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 1

Bioorg Med Chem Lett 12: 1219-23 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1/3


(Homo sapiens (Human))		BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 1.78E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase

Bioorg Med Chem Lett 12: 1219-23 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Ovis aries (Sheep))		BDBM50226343
PNG
(CHEMBL32990)
Show SMILES CC(CO)c1ccc2OCc3ccccc3Oc2c1
Show InChI InChI=1S/C16H16O3/c1-11(9-17)12-6-7-15-16(8-12)19-14-5-3-2-4-13(14)10-18-15/h2-8,11,17H,9-10H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase of ram seminal vesicle microsomes

J Med Chem 29: 1436-41 (1986)


BindingDB Entry DOI: 10.7270/Q2X06974
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))		BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Tyrosine-protein kinase CSK

Bioorg Med Chem Lett 12: 1219-23 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cyclin dependent kinase 2

Bioorg Med Chem Lett 12: 1219-23 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Ovis aries (Sheep))		BDBM50226340
PNG
(CHEMBL286802)
Show SMILES OC(=O)Cc1ccc2OCc3ccc(Cl)cc3Oc2c1
Show InChI InChI=1S/C15H11ClO4/c16-11-3-2-10-8-19-12-4-1-9(6-15(17)18)5-14(12)20-13(10)7-11/h1-5,7H,6,8H2,(H,17,18)
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n/an/a 7.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase of ram seminal vesicle microsomes

J Med Chem 29: 1436-41 (1986)


BindingDB Entry DOI: 10.7270/Q2X06974
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))		BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of protein kinase Hck

Bioorg Med Chem Lett 12: 1219-23 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a>8.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase

Bioorg Med Chem Lett 12: 1219-23 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a>8.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase

Bioorg Med Chem Lett 12: 1219-23 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a>8.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase

Bioorg Med Chem Lett 12: 1219-23 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Ovis aries (Sheep))		BDBM50226345
PNG
(CHEMBL33814)
Show SMILES OC(=O)Cc1ccc2Oc3ccccc3COc2c1
Show InChI InChI=1S/C15H12O4/c16-15(17)8-10-5-6-13-14(7-10)18-9-11-3-1-2-4-12(11)19-13/h1-7H,8-9H2,(H,16,17)
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase of ram seminal vesicle microsomes

J Med Chem 29: 1436-41 (1986)


BindingDB Entry DOI: 10.7270/Q2X06974
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of protein kinase Raf

Bioorg Med Chem Lett 12: 1219-23 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor

Bioorg Med Chem Lett 12: 1219-23 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Tek kinase

Bioorg Med Chem Lett 12: 1219-23 (2002)


BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Ovis aries (Sheep))		BDBM50226344
PNG
(CHEMBL32218)
Show SMILES CC(=O)Nc1ccc2Oc3cc(CC(O)=O)ccc3OCc2c1
Show InChI InChI=1S/C17H15NO5/c1-10(19)18-13-3-5-14-12(8-13)9-22-15-4-2-11(7-17(20)21)6-16(15)23-14/h2-6,8H,7,9H2,1H3,(H,18,19)(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase of ram seminal vesicle microsomes

J Med Chem 29: 1436-41 (1986)


BindingDB Entry DOI: 10.7270/Q2X06974
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Ovis aries (Sheep))		BDBM50226347
PNG
(CHEMBL33527)
Show SMILES OC(=O)Cc1ccc2COc3ccccc3Oc2c1
Show InChI InChI=1S/C15H12O4/c16-15(17)8-10-5-6-11-9-18-12-3-1-2-4-13(12)19-14(11)7-10/h1-7H,8-9H2,(H,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase of ram seminal vesicle microsomes

J Med Chem 29: 1436-41 (1986)


BindingDB Entry DOI: 10.7270/Q2X06974
More data for this
Ligand-Target Pair