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Compile Data Set for Download or QSAR

Found 67 hits with Last Name = 'iqbal' and Initial = 'ma'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50136008
PNG
(12-(3-hydroxypropyl)-9-isopropoxymethyl-6,7,12,13-...)
Show SMILES CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C28H28N2O3/c1-16(2)33-15-17-8-9-23-20(12-17)25-22-14-29-28(32)26(22)24-19-7-4-3-6-18(19)13-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,12,16,31H,5,10-11,13-15H2,1-2H3,(H,29,32)
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n/an/a 1.60n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of Tyrosine-protein kinase receptor FLT3 (fms-related tyrosine kinase 3) receptor

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))		BDBM50136008
PNG
(12-(3-hydroxypropyl)-9-isopropoxymethyl-6,7,12,13-...)
Show SMILES CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C28H28N2O3/c1-16(2)33-15-17-8-9-23-20(12-17)25-22-14-29-28(32)26(22)24-19-7-4-3-6-18(19)13-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,12,16,31H,5,10-11,13-15H2,1-2H3,(H,29,32)
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n/an/a 4n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 3

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136019
PNG
(9-ethoxymethyl-12-(3-hydroxypropyl)-6,7,12,13-tetr...)
Show SMILES CCOCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C27H26N2O3/c1-2-32-15-16-8-9-22-19(12-16)24-21-14-28-27(31)25(21)23-18-7-4-3-6-17(18)13-20(23)26(24)29(22)10-5-11-30/h3-4,6-9,12,30H,2,5,10-11,13-15H2,1H3,(H,28,31)
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n/an/a 4n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136008
PNG
(12-(3-hydroxypropyl)-9-isopropoxymethyl-6,7,12,13-...)
Show SMILES CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C28H28N2O3/c1-16(2)33-15-17-8-9-23-20(12-17)25-22-14-29-28(32)26(22)24-19-7-4-3-6-18(19)13-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,12,16,31H,5,10-11,13-15H2,1-2H3,(H,29,32)
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n/an/a 8n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50218973
PNG
(CHEMBL44001)
Show SMILES CC1(C)OC(=C(C1=O)c1cccc(F)c1)c1ccc(cc1)S(C)(=O)=O |c:4|
Show InChI InChI=1S/C19H17FO4S/c1-19(2)18(21)16(13-5-4-6-14(20)11-13)17(24-19)12-7-9-15(10-8-12)25(3,22)23/h4-11H,1-3H3
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n/an/a 8.32n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of mouse COX-2 in LPS-induced mouse peritoneal macrophage assessed as reduction in PGE2 release incubated for 2 hrs by ELISA

Eur J Med Chem 171: 66-92 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.021
BindingDB Entry DOI: 10.7270/Q2X92FQN
More data for this
Ligand-Target Pair
Phospholipase A2


(Apis mellifera)		BDBM50524139
PNG
(CHEMBL4467602)
Show SMILES CC(=O)OC(CCCCCCCCCCCCC(OC(C)=O)C1=CC(=O)OC1O)C1=CC(=O)OC1O |t:22,30|
Show InChI InChI=1S/C26H38O10/c1-17(27)33-21(19-15-23(29)35-25(19)31)13-11-9-7-5-3-4-6-8-10-12-14-22(34-18(2)28)20-16-24(30)36-26(20)32/h15-16,21-22,25-26,31-32H,3-14H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2 preincubated for 1 hr followed by addition of phosphotidylcholine and 1-palmitoyl-2-(1-14C) palmitoyl furthe...

Eur J Med Chem 171: 66-92 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.021
BindingDB Entry DOI: 10.7270/Q2X92FQN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136018
PNG
(9-(tert-butoxymethyl)-12-(3-hydroxypropyl)-6,7,12,...)
Show SMILES CC(C)(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C29H30N2O3/c1-29(2,3)34-16-17-9-10-23-20(13-17)25-22-15-30-28(33)26(22)24-19-8-5-4-7-18(19)14-21(24)27(25)31(23)11-6-12-32/h4-5,7-10,13,32H,6,11-12,14-16H2,1-3H3,(H,30,33)
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n/an/a 11n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136013
PNG
(9-(sec-butoxymethyl)-12-(3-hydroxypropyl)-6,7,12,1...)
Show SMILES CCC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C29H30N2O3/c1-3-17(2)34-16-18-9-10-24-21(13-18)26-23-15-30-29(33)27(23)25-20-8-5-4-7-19(20)14-22(25)28(26)31(24)11-6-12-32/h4-5,7-10,13,17,32H,3,6,11-12,14-16H2,1-2H3,(H,30,33)
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n/an/a 12n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50024274
PNG
(CHEMBL2448133)
Show SMILES CC[C@@H](C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 |r|
Show InChI InChI=1S/C29H30N2O3/c1-3-17(2)34-16-18-9-10-24-21(13-18)26-23-15-30-29(33)27(23)25-20-8-5-4-7-19(20)14-22(25)28(26)31(24)11-6-12-32/h4-5,7-10,13,17,32H,3,6,11-12,14-16H2,1-2H3,(H,30,33)/t17-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136021
PNG
(12-(3-hydroxypropyl)-9-propoxymethyl-6,7,12,13-tet...)
Show SMILES CCCOCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C28H28N2O3/c1-2-12-33-16-17-8-9-23-20(13-17)25-22-15-29-28(32)26(22)24-19-7-4-3-6-18(19)14-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,13,31H,2,5,10-12,14-16H2,1H3,(H,29,32)
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n/an/a 13n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))		BDBM50136008
PNG
(12-(3-hydroxypropyl)-9-isopropoxymethyl-6,7,12,13-...)
Show SMILES CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C28H28N2O3/c1-16(2)33-15-17-8-9-23-20(12-17)25-22-14-29-28(32)26(22)24-19-7-4-3-6-18(19)13-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,12,16,31H,5,10-11,13-15H2,1-2H3,(H,29,32)
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n/an/a 16n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 1

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136017
PNG
(12-(3-hydroxypropyl)-9-methoxymethyl-6,7,12,13-tet...)
Show SMILES COCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C26H24N2O3/c1-31-14-15-7-8-21-18(11-15)23-20-13-27-26(30)24(20)22-17-6-3-2-5-16(17)12-19(22)25(23)28(21)9-4-10-29/h2-3,5-8,11,29H,4,9-10,12-14H2,1H3,(H,27,30)
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n/an/a 17n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136024
PNG
(3-(9-isopropoxymethyl-5-oxo-6,7,12,13-tetrahydro-5...)
Show SMILES CC(C)OCc1ccc2n(CCCOC(=O)CN(C)C)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C32H35N3O4/c1-19(2)39-18-20-10-11-26-23(14-20)29-25-16-33-32(37)30(25)28-22-9-6-5-8-21(22)15-24(28)31(29)35(26)12-7-13-38-27(36)17-34(3)4/h5-6,8-11,14,19H,7,12-13,15-18H2,1-4H3,(H,33,37)
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n/an/a 18n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136015
PNG
(9-butoxymethyl-12-(3-hydroxypropyl)-6,7,12,13-tetr...)
Show SMILES CCCCOCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C29H30N2O3/c1-2-3-13-34-17-18-9-10-24-21(14-18)26-23-16-30-29(33)27(23)25-20-8-5-4-7-19(20)15-22(25)28(26)31(24)11-6-12-32/h4-5,7-10,14,32H,2-3,6,11-13,15-17H2,1H3,(H,30,33)
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n/an/a 18n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50024273
PNG
(CHEMBL2112040)
Show SMILES CC[C@H](C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 |r|
Show InChI InChI=1S/C29H30N2O3/c1-3-17(2)34-16-18-9-10-24-21(13-18)26-23-15-30-29(33)27(23)25-20-8-5-4-7-19(20)14-22(25)28(26)31(24)11-6-12-32/h4-5,7-10,13,17,32H,3,6,11-12,14-16H2,1-2H3,(H,30,33)/t17-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Phospholipase A2


(Apis mellifera)		BDBM50524135
PNG
(CHEMBL4570349)
Show SMILES CC(C)(C)C(=O)OC(CCCCCCCCCCCCC(OC(=O)C(C)(C)C)C1=CC(=O)OC1O)C1=CC(=O)OC1O |t:28,36|
Show InChI InChI=1S/C32H50O10/c1-31(2,3)29(37)39-23(21-19-25(33)41-27(21)35)17-15-13-11-9-7-8-10-12-14-16-18-24(40-30(38)32(4,5)6)22-20-26(34)42-28(22)36/h19-20,23-24,27-28,35-36H,7-18H2,1-6H3
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n/an/a 20n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2 preincubated for 1 hr followed by addition of phosphotidylcholine and 1-palmitoyl-2-(1-14C) palmitoyl furthe...

Eur J Med Chem 171: 66-92 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.021
BindingDB Entry DOI: 10.7270/Q2X92FQN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136022
PNG
(9-ethylsulfanylmethyl-12-(3-hydroxypropyl)-6,7,12,...)
Show SMILES CCSCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C27H26N2O2S/c1-2-32-15-16-8-9-22-19(12-16)24-21-14-28-27(31)25(21)23-18-7-4-3-6-17(18)13-20(23)26(24)29(22)10-5-11-30/h3-4,6-9,12,30H,2,5,10-11,13-15H2,1H3,(H,28,31)
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n/an/a 21n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Phospholipase A2


(Apis mellifera)		BDBM50524140
PNG
(CHEMBL4447483)
Show SMILES OC1OC(=O)C=C1C(CCCCCCCCCCC(OC(=O)Nc1ccccc1)C1=CC(=O)OC1O)OC(=O)Nc1ccccc1 |c:5,t:31|
Show InChI InChI=1S/C34H40N2O10/c37-29-21-25(31(39)45-29)27(43-33(41)35-23-15-9-7-10-16-23)19-13-5-3-1-2-4-6-14-20-28(26-22-30(38)46-32(26)40)44-34(42)36-24-17-11-8-12-18-24/h7-12,15-18,21-22,27-28,31-32,39-40H,1-6,13-14,19-20H2,(H,35,41)(H,36,42)
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n/an/a 30n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2 preincubated for 1 hr followed by addition of phosphotidylcholine and 1-palmitoyl-2-(1-14C) palmitoyl furthe...

Eur J Med Chem 171: 66-92 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.021
BindingDB Entry DOI: 10.7270/Q2X92FQN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136020
PNG
(9-(1-ethylpropoxymethyl)-12-(3-hydroxypropyl)-6,7,...)
Show SMILES CCC(CC)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C30H32N2O3/c1-3-20(4-2)35-17-18-10-11-25-22(14-18)27-24-16-31-30(34)28(24)26-21-9-6-5-8-19(21)15-23(26)29(27)32(25)12-7-13-33/h5-6,8-11,14,20,33H,3-4,7,12-13,15-17H2,1-2H3,(H,31,34)
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n/an/a 35n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136030
PNG
(12-(3-hydroxypropyl)-6,7,12,13-tetrahydro-5H-inden...)
Show SMILES OCCCn1c2ccccc2c2c3CNC(=O)c3c3-c4ccccc4Cc3c12
Show InChI InChI=1S/C24H20N2O2/c27-11-5-10-26-19-9-4-3-8-16(19)21-18-13-25-24(28)22(18)20-15-7-2-1-6-14(15)12-17(20)23(21)26/h1-4,6-9,27H,5,10-13H2,(H,25,28)
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n/an/a 48n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50143486
PNG
(CHEMBL366422 | N-Acetyl-4-[4-(4-methanesulfonyl-ph...)
Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(cc1)S(C)(=O)=O |t:14|
Show InChI InChI=1S/C19H17NO7S2/c1-12(21)20-29(25,26)16-9-3-13(4-10-16)17-11-27-19(22)18(17)14-5-7-15(8-6-14)28(2,23)24/h3-10H,11H2,1-2H3,(H,20,21)
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n/an/a 50n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as reduction in PGF2alpha production incubated for 15 mins by ELISA method

Eur J Med Chem 171: 66-92 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.021
BindingDB Entry DOI: 10.7270/Q2X92FQN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136031
PNG
(9-isopropoxymethyl-6,7,12,13-tetrahydro-5H-indeno[...)
Show SMILES CC(C)OCc1ccc2[nH]c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C25H22N2O2/c1-13(2)29-12-14-7-8-20-17(9-14)22-19-11-26-25(28)23(19)21-16-6-4-3-5-15(16)10-18(21)24(22)27-20/h3-9,13,27H,10-12H2,1-2H3,(H,26,28)
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n/an/a 55n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136028
PNG
(12-(3-hydroxypropyl)-9-isopropylsulfanylmethyl-6,7...)
Show SMILES CC(C)SCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C28H28N2O2S/c1-16(2)33-15-17-8-9-23-20(12-17)25-22-14-29-28(32)26(22)24-19-7-4-3-6-18(19)13-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,12,16,31H,5,10-11,13-15H2,1-2H3,(H,29,32)
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n/an/a 57n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50136008
PNG
(12-(3-hydroxypropyl)-9-isopropoxymethyl-6,7,12,13-...)
Show SMILES CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C28H28N2O3/c1-16(2)33-15-17-8-9-23-20(12-17)25-22-14-29-28(32)26(22)24-19-7-4-3-6-18(19)13-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,12,16,31H,5,10-11,13-15H2,1-2H3,(H,29,32)
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n/an/a 57n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of Proto-oncogene tyrosine-protein kinase Kit

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136016
PNG
(12-(3-hydroxypropyl)-9-(1-methoxyethyl)-6,7,12,13-...)
Show SMILES COC(C)c1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C27H26N2O3/c1-15(32-2)16-8-9-22-19(12-16)24-21-14-28-27(31)25(21)23-18-7-4-3-6-17(18)13-20(23)26(24)29(22)10-5-11-30/h3-4,6-9,12,15,30H,5,10-11,13-14H2,1-2H3,(H,28,31)
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n/an/a 73n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136025
PNG
(9-bromo-12-(3-hydroxypropyl)-6,7,12,13-tetrahydro-...)
Show SMILES OCCCn1c2ccc(Br)cc2c2c3CNC(=O)c3c3-c4ccccc4Cc3c12
Show InChI InChI=1S/C24H19BrN2O2/c25-14-6-7-19-16(11-14)21-18-12-26-24(29)22(18)20-15-5-2-1-4-13(15)10-17(20)23(21)27(19)8-3-9-28/h1-2,4-7,11,28H,3,8-10,12H2,(H,26,29)
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n/an/a 104n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136033
PNG
(12-(3-hydroxypropyl)-5-oxo-6,7,12,13-tetrahydro-5H...)
Show SMILES OCCCn1c2ccc(C=O)cc2c2c3CNC(=O)c3c3-c4ccccc4Cc3c12
Show InChI InChI=1S/C25H20N2O3/c28-9-3-8-27-20-7-6-14(13-29)10-17(20)22-19-12-26-25(30)23(19)21-16-5-2-1-4-15(16)11-18(21)24(22)27/h1-2,4-7,10,13,28H,3,8-9,11-12H2,(H,26,30)
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n/an/a 105n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136012
PNG
(12-(2-hydroxyethyl)-6,7,12,13-tetrahydro-5H-indeno...)
Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c3-c4ccccc4Cc3c12
Show InChI InChI=1S/C23H18N2O2/c26-10-9-25-18-8-4-3-7-15(18)20-17-12-24-23(27)21(17)19-14-6-2-1-5-13(14)11-16(19)22(20)25/h1-8,26H,9-12H2,(H,24,27)
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n/an/a 107n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM14177
PNG
(3,13-diazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,...)
Show SMILES O=C1NCc2c1c-1c(Cc3ccccc-13)c1[nH]c3ccccc3c21
Show InChI InChI=1S/C21H14N2O/c24-21-19-15(10-22-21)18-13-7-3-4-8-16(13)23-20(18)14-9-11-5-1-2-6-12(11)17(14)19/h1-8,23H,9-10H2,(H,22,24)
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n/an/a 110n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136010
PNG
(9-(1-hydroxyethyl)-12-(3-hydroxypropyl)-6,7,12,13-...)
Show SMILES CC(O)c1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C26H24N2O3/c1-14(30)15-7-8-21-18(11-15)23-20-13-27-26(31)24(20)22-17-6-3-2-5-16(17)12-19(22)25(23)28(21)9-4-10-29/h2-3,5-8,11,14,29-30H,4,9-10,12-13H2,1H3,(H,27,31)
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n/an/a 111n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136029
PNG
(9-(1-butoxyethyl)-12-(3-hydroxypropyl)-6,7,12,13-t...)
Show SMILES CCCCOC(C)c1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C30H32N2O3/c1-3-4-14-35-18(2)19-10-11-25-22(15-19)27-24-17-31-30(34)28(24)26-21-9-6-5-8-20(21)16-23(26)29(27)32(25)12-7-13-33/h5-6,8-11,15,18,33H,3-4,7,12-14,16-17H2,1-2H3,(H,31,34)
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n/an/a 130n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50218964
PNG
(CHEMBL44223)
Show SMILES CC1(C)OC(=C(C1=O)c1cc(F)cc(F)c1)c1ccc(cc1)S(C)(=O)=O |c:4|
Show InChI InChI=1S/C19H16F2O4S/c1-19(2)18(22)16(12-8-13(20)10-14(21)9-12)17(25-19)11-4-6-15(7-5-11)26(3,23)24/h4-10H,1-3H3
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n/an/a 132n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of mouse COX-2 in LPS-induced mouse peritoneal macrophage assessed as reduction in PGE2 release incubated for 2 hrs by ELISA

Eur J Med Chem 171: 66-92 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.021
BindingDB Entry DOI: 10.7270/Q2X92FQN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))		BDBM50136008
PNG
(12-(3-hydroxypropyl)-9-isopropoxymethyl-6,7,12,13-...)
Show SMILES CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C28H28N2O3/c1-16(2)33-15-17-8-9-23-20(12-17)25-22-14-29-28(32)26(22)24-19-7-4-3-6-18(19)13-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,12,16,31H,5,10-11,13-15H2,1-2H3,(H,29,32)
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n/an/a 162n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of Fibroblast growth factor receptor 1

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136023
PNG
(9-methyl-12-(3-hydroxypropyl)-6,7,12,13-tetrahydro...)
Show SMILES Cc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C25H22N2O2/c1-14-7-8-20-17(11-14)22-19-13-26-25(29)23(19)21-16-6-3-2-5-15(16)12-18(21)24(22)27(20)9-4-10-28/h2-3,5-8,11,28H,4,9-10,12-13H2,1H3,(H,26,29)
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n/an/a 163n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136032
PNG
(1-[12-(3-hydroxypropyl)-5-oxo-6,7,12,13-tetrahydro...)
Show SMILES CC(=O)c1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C26H22N2O3/c1-14(30)15-7-8-21-18(11-15)23-20-13-27-26(31)24(20)22-17-6-3-2-5-16(17)12-19(22)25(23)28(21)9-4-10-29/h2-3,5-8,11,29H,4,9-10,12-13H2,1H3,(H,27,31)
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n/an/a 187n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136026
PNG
(9-hydroxymethyl-12-(3-hydroxypropyl)-6,7,12,13-tet...)
Show SMILES OCCCn1c2ccc(CO)cc2c2c3CNC(=O)c3c3-c4ccccc4Cc3c12
Show InChI InChI=1S/C25H22N2O3/c28-9-3-8-27-20-7-6-14(13-29)10-17(20)22-19-12-26-25(30)23(19)21-16-5-2-1-4-15(16)11-18(21)24(22)27/h1-2,4-7,10,28-29H,3,8-9,11-13H2,(H,26,30)
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n/an/a 208n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136011
PNG
(9-(1-ethoxyethyl)-12-(3-hydroxypropyl)-6,7,12,13-t...)
Show SMILES CCOC(C)c1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C28H28N2O3/c1-3-33-16(2)17-9-10-23-20(13-17)25-22-15-29-28(32)26(22)24-19-8-5-4-7-18(19)14-21(24)27(25)30(23)11-6-12-31/h4-5,7-10,13,16,31H,3,6,11-12,14-15H2,1-2H3,(H,29,32)
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n/an/a 240n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136011
PNG
(9-(1-ethoxyethyl)-12-(3-hydroxypropyl)-6,7,12,13-t...)
Show SMILES CCOC(C)c1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C28H28N2O3/c1-3-33-16(2)17-9-10-23-20(13-17)25-22-15-29-28(32)26(22)24-19-8-5-4-7-18(19)14-21(24)27(25)30(23)11-6-12-31/h4-5,7-10,13,16,31H,3,6,11-12,14-15H2,1-2H3,(H,29,32)
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n/an/a 240n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136009
PNG
(12-(3-hydroxypropyl)-9-isopentyloxymethyl-6,7,12,1...)
Show SMILES CC(C)CCOCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C30H32N2O3/c1-18(2)10-13-35-17-19-8-9-25-22(14-19)27-24-16-31-30(34)28(24)26-21-7-4-3-6-20(21)15-23(26)29(27)32(25)11-5-12-33/h3-4,6-9,14,18,33H,5,10-13,15-17H2,1-2H3,(H,31,34)
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n/an/a 276n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136014
PNG
(12-(3-hydroxypropyl)-9-isopropylsulfinylmethyl-6,7...)
Show SMILES CC(C)S(=O)Cc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C28H28N2O3S/c1-16(2)34(33)15-17-8-9-23-20(12-17)25-22-14-29-28(32)26(22)24-19-7-4-3-6-18(19)13-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,12,16,31H,5,10-11,13-15H2,1-2H3,(H,29,32)
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n/an/a 309n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))		BDBM50136008
PNG
(12-(3-hydroxypropyl)-9-isopropoxymethyl-6,7,12,13-...)
Show SMILES CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C28H28N2O3/c1-16(2)33-15-17-8-9-23-20(12-17)25-22-14-29-28(32)26(22)24-19-7-4-3-6-18(19)13-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,12,16,31H,5,10-11,13-15H2,1-2H3,(H,29,32)
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n/an/a 406n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor beta

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136027
PNG
(12-(3-hydroxypropyl)-9-(1-isopropoxyethyl)-6,7,12,...)
Show SMILES CC(C)OC(C)c1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C29H30N2O3/c1-16(2)34-17(3)18-9-10-24-21(13-18)26-23-15-30-29(33)27(23)25-20-8-5-4-7-19(20)14-22(25)28(26)31(24)11-6-12-32/h4-5,7-10,13,16-17,32H,6,11-12,14-15H2,1-3H3,(H,30,33)
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n/an/a 411n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM14173
PNG
(3,13-diazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,...)
Show SMILES O=C1NCc2c-3c(Cc4ccccc-34)c3[nH]c4ccccc4c3c12
Show InChI InChI=1S/C21H14N2O/c24-21-19-15(10-22-21)17-12-6-2-1-5-11(12)9-14(17)20-18(19)13-7-3-4-8-16(13)23-20/h1-8,23H,9-10H2,(H,22,24)
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n/an/a 414n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50136008
PNG
(12-(3-hydroxypropyl)-9-isopropoxymethyl-6,7,12,13-...)
Show SMILES CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C28H28N2O3/c1-16(2)33-15-17-8-9-23-20(12-17)25-22-14-29-28(32)26(22)24-19-7-4-3-6-18(19)13-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,12,16,31H,5,10-11,13-15H2,1-2H3,(H,29,32)
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n/an/a 448n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of c-Jun N-terminal kinase 1-beta 1

J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50127653
PNG
(1-(4-Methanesulfonyl-phenyl)-4,5-dihydro-3aH-napht...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C2C(CCc3ccccc23)OC1=O |t:11|
Show InChI InChI=1S/C19H16O4S/c1-24(21,22)14-9-6-13(7-10-14)17-18-15-5-3-2-4-12(15)8-11-16(18)23-19(17)20/h2-7,9-10,16H,8,11H2,1H3
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n/an/a 500n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 expressed in baculovirus infected Sf9 cells

Eur J Med Chem 171: 66-92 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.021
BindingDB Entry DOI: 10.7270/Q2X92FQN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50127652
PNG
(1-(4-Methanesulfonyl-phenyl)-8-methyl-4,5-dihydro-...)
Show SMILES Cc1ccc2CCC3OC(=O)C(=C3c2c1)c1ccc(cc1)S(C)(=O)=O |c:11|
Show InChI InChI=1S/C20H18O4S/c1-12-3-4-13-7-10-17-19(16(13)11-12)18(20(21)24-17)14-5-8-15(9-6-14)25(2,22)23/h3-6,8-9,11,17H,7,10H2,1-2H3
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n/an/a 500n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 expressed in baculovirus infected Sf9 cells

Eur J Med Chem 171: 66-92 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.021
BindingDB Entry DOI: 10.7270/Q2X92FQN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Cavia porcellus)		BDBM50078688
PNG
(3-(3,4-Difluoro-phenyl)-4-(4-methanesulfonyl-pheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(F)c(F)c1 |t:11|
Show InChI InChI=1S/C17H12F2O4S/c1-24(21,22)12-5-2-10(3-6-12)13-9-23-17(20)16(13)11-4-7-14(18)15(19)8-11/h2-8H,9H2,1H3
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n/an/a 600n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of COX2 in guinea pig blood assessed as reduction of LPS-induced PGE2 accumulation at 10 to 10000 nM preincubated with LPS followed by com...

Eur J Med Chem 171: 66-92 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.021
BindingDB Entry DOI: 10.7270/Q2X92FQN
More data for this
Ligand-Target Pair
Phospholipase A2


(Apis mellifera)		BDBM50524136
PNG
(CHEMBL4553594)
Show SMILES CC(C)(C)C(=O)OC(CCCCCCCCCCCCC(OC(=O)C(C)(C)C)C1=CC(=O)OC1OC(=O)Nc1ccccc1)C1=CC(=O)OC1OC(=O)Nc1ccccc1 |t:28,46|
Show InChI InChI=1S/C46H60N2O12/c1-45(2,3)41(51)55-35(33-29-37(49)57-39(33)59-43(53)47-31-23-17-15-18-24-31)27-21-13-11-9-7-8-10-12-14-22-28-36(56-42(52)46(4,5)6)34-30-38(50)58-40(34)60-44(54)48-32-25-19-16-20-26-32/h15-20,23-26,29-30,35-36,39-40H,7-14,21-22,27-28H2,1-6H3,(H,47,53)(H,48,54)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2 preincubated for 1 hr followed by addition of phosphotidylcholine and 1-palmitoyl-2-(1-14C) palmitoyl furthe...

Eur J Med Chem 171: 66-92 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.021
BindingDB Entry DOI: 10.7270/Q2X92FQN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50125626
PNG
(5-Hydroxy-4-(4-methanesulfonyl-phenyl)-5-methyl-3-...)
Show SMILES CC1(O)OC(=O)C(=C1c1ccc(cc1)S(C)(=O)=O)c1ccccc1 |c:6|
Show InChI InChI=1S/C18H16O5S/c1-18(20)16(13-8-10-14(11-9-13)24(2,21)22)15(17(19)23-18)12-6-4-3-5-7-12/h3-11,20H,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as reduction in PGE2 formation preincubated for 15 mins followed by addition of LPS and measured aft...

Eur J Med Chem 171: 66-92 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.021
BindingDB Entry DOI: 10.7270/Q2X92FQN
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))		BDBM50219502
PNG
(4-hydroxyphenyl beta-D-glucopyranoside | Arbutin |...)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1
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n/an/a>1.60E+3n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin) assessed as reduction in melanin formation

Eur J Med Chem 171: 66-92 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.021
BindingDB Entry DOI: 10.7270/Q2X92FQN
More data for this
Ligand-Target Pair
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