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Compile Data Set for Download or QSAR

Found 340 hits from AstraZeneca R&D Charnwood   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50188311
PNG
(2-(3-(8-chloroquinolin-4-yl)-2,5-dimethyl-1H-indol...)
Show SMILES Cc1c(-c2ccnc3c(Cl)cccc23)c2cc(C)ccc2n1CC(O)=O
Show InChI InChI=1S/C21H17ClN2O2/c1-12-6-7-18-16(10-12)20(13(2)24(18)11-19(25)26)14-8-9-23-21-15(14)4-3-5-17(21)22/h3-10H,11H2,1-2H3,(H,25,26)
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n/an/a 2.30n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4287-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.062
BindingDB Entry DOI: 10.7270/Q2G44PX7
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50188301
PNG
(2-(2,5-dimethyl-3-(8-methylquinolin-4-yl)-1H-indol...)
Show SMILES Cc1c(-c2ccnc3c(C)cccc23)c2cc(C)ccc2n1CC(O)=O
Show InChI InChI=1S/C22H20N2O2/c1-13-7-8-19-18(11-13)21(15(3)24(19)12-20(25)26)16-9-10-23-22-14(2)5-4-6-17(16)22/h4-11H,12H2,1-3H3,(H,25,26)
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n/an/a 2.60n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4287-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.062
BindingDB Entry DOI: 10.7270/Q2G44PX7
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110881
PNG
(4-(2-oxo-3-(4-(5-phenylpentylthio)phenoxy)propoxy)...)
Show SMILES OC(=O)c1ccc(OCC(=O)COc2ccc(SCCCCCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C27H28O5S/c28-23(19-31-24-12-10-22(11-13-24)27(29)30)20-32-25-14-16-26(17-15-25)33-18-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,10-17H,2,5-6,9,18-20H2,(H,29,30)
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by bilayer assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50188300
PNG
(2-(2,5-dimethyl-3-(7-(trifluoromethyl)quinolin-4-y...)
Show SMILES Cc1c(-c2ccnc3cc(ccc23)C(F)(F)F)c2cc(C)ccc2n1CC(O)=O
Show InChI InChI=1S/C22H17F3N2O2/c1-12-3-6-19-17(9-12)21(13(2)27(19)11-20(28)29)16-7-8-26-18-10-14(22(23,24)25)4-5-15(16)18/h3-10H,11H2,1-2H3,(H,28,29)
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n/an/a 5.40n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4287-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.062
BindingDB Entry DOI: 10.7270/Q2G44PX7
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50098959
PNG
(5-Ethynyl-4,5-dihydro-thieno[2,3-c]pyridin-7-ylami...)
Show SMILES NC1=NC(Cc2ccsc12)C#C
Show InChI InChI=1S/C9H8N2S/c1-2-7-5-6-3-4-12-8(6)9(10)11-7/h1,3-4,7H,5H2,(H2,10,11)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Ability to inhibit the conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by n-NOS from rat cerebellum


Bioorg Med Chem Lett 11: 1027-30 (2001)


Article DOI: 10.1016/s0960-894x(01)00120-2
BindingDB Entry DOI: 10.7270/Q2F76BT7
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50188305
PNG
(2-(2,5-dimethyl-3-(8-(trifluoromethyl)quinolin-4-y...)
Show SMILES Cc1c(-c2ccnc3c(cccc23)C(F)(F)F)c2cc(C)ccc2n1CC(O)=O
Show InChI InChI=1S/C22H17F3N2O2/c1-12-6-7-18-16(10-12)20(13(2)27(18)11-19(28)29)14-8-9-26-21-15(14)4-3-5-17(21)22(23,24)25/h3-10H,11H2,1-2H3,(H,28,29)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4287-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.062
BindingDB Entry DOI: 10.7270/Q2G44PX7
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50188309
PNG
(2-(3-(8-fluoroquinolin-4-yl)-2,5-dimethyl-1H-indol...)
Show SMILES Cc1c(-c2ccnc3c(F)cccc23)c2cc(C)ccc2n1CC(O)=O
Show InChI InChI=1S/C21H17FN2O2/c1-12-6-7-18-16(10-12)20(13(2)24(18)11-19(25)26)14-8-9-23-21-15(14)4-3-5-17(21)22/h3-10H,11H2,1-2H3,(H,25,26)
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n/an/a 7.10n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4287-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.062
BindingDB Entry DOI: 10.7270/Q2G44PX7
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110846
PNG
(4-(3-(4-(decyloxy)phenoxy)-2-oxopropoxy)benzoic ac...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C26H34O6/c1-2-3-4-5-6-7-8-9-18-30-23-14-16-25(17-15-23)32-20-22(27)19-31-24-12-10-21(11-13-24)26(28)29/h10-17H,2-9,18-20H2,1H3,(H,28,29)
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by bilayer assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50188307
PNG
(2-(3-(7-chloroquinolin-4-yl)-2,5-dimethyl-1H-indol...)
Show SMILES Cc1c(-c2ccnc3cc(Cl)ccc23)c2cc(C)ccc2n1CC(O)=O
Show InChI InChI=1S/C21H17ClN2O2/c1-12-3-6-19-17(9-12)21(13(2)24(19)11-20(25)26)16-7-8-23-18-10-14(22)4-5-15(16)18/h3-10H,11H2,1-2H3,(H,25,26)
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4287-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.062
BindingDB Entry DOI: 10.7270/Q2G44PX7
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50177615
PNG
((R)-2-(5-(2,3-difluorobenzylthio)-2-aminothiazolo[...)
Show SMILES CC[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12
Show InChI InChI=1S/C16H17F2N5OS2/c1-2-9(6-24)20-13-12-14(21-15(19)26-12)23-16(22-13)25-7-8-4-3-5-10(17)11(8)18/h3-5,9,24H,2,6-7H2,1H3,(H3,19,20,21,22,23)/t9-/m1/s1
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n/an/a 9.5n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 membranes by SPA


Bioorg Med Chem Lett 16: 960-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.091
BindingDB Entry DOI: 10.7270/Q2D79B09
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50091817
PNG
(4-Methyl-6-propyl-pyridin-2-ylamine | 4-Methyl-6-p...)
Show SMILES CCCc1cc(C)cc(N)n1
Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h5-6H,3-4H2,1-2H3,(H2,10,11)
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
In vitro inhibition of human Inducible nitric oxide synthase.


J Med Chem 47: 3320-3 (2004)


Article DOI: 10.1021/jm031035n
BindingDB Entry DOI: 10.7270/Q25M656D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50091817
PNG
(4-Methyl-6-propyl-pyridin-2-ylamine | 4-Methyl-6-p...)
Show SMILES CCCc1cc(C)cc(N)n1
Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h5-6H,3-4H2,1-2H3,(H2,10,11)
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
In vitro inhibition of human neuronal nitric oxide synthase.


J Med Chem 47: 3320-3 (2004)


Article DOI: 10.1021/jm031035n
BindingDB Entry DOI: 10.7270/Q25M656D
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50188299
PNG
(2-(3-(8-methoxyquinolin-4-yl)-2,5-dimethyl-1H-indo...)
Show SMILES COc1cccc2c(ccnc12)-c1c(C)n(CC(O)=O)c2ccc(C)cc12
Show InChI InChI=1S/C22H20N2O3/c1-13-7-8-18-17(11-13)21(14(2)24(18)12-20(25)26)15-9-10-23-22-16(15)5-4-6-19(22)27-3/h4-11H,12H2,1-3H3,(H,25,26)
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n/an/a 11n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4287-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.062
BindingDB Entry DOI: 10.7270/Q2G44PX7
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50098962
PNG
(5-Cyclopropyl-4,5-dihydro-thieno[2,3-c]pyridin-7-y...)
Show SMILES NC1=NC(Cc2ccsc12)C1CC1
Show InChI InChI=1S/C10H12N2S/c11-10-9-7(3-4-13-9)5-8(12-10)6-1-2-6/h3-4,6,8H,1-2,5H2,(H2,11,12)
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n/an/a 11n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Ability to inhibit the conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by n-NOS from rat cerebellum


Bioorg Med Chem Lett 11: 1027-30 (2001)


Article DOI: 10.1016/s0960-894x(01)00120-2
BindingDB Entry DOI: 10.7270/Q2F76BT7
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50177611
PNG
(2-(5-(2,3-difluorobenzylthio)-2-aminothiazolo[4,5-...)
Show SMILES CC(C)(CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12
Show InChI InChI=1S/C16H17F2N5OS2/c1-16(2,7-24)23-13-11-12(20-14(19)26-11)21-15(22-13)25-6-8-4-3-5-9(17)10(8)18/h3-5,24H,6-7H2,1-2H3,(H3,19,20,21,22,23)
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n/an/a 14n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 membranes by SPA


Bioorg Med Chem Lett 16: 960-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.091
BindingDB Entry DOI: 10.7270/Q2D79B09
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110859
PNG
(CHEMBL26200 | {4-[3-(4-Decyloxy-phenoxy)-2-oxo-pro...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(CC(O)=O)cc2)cc1
Show InChI InChI=1S/C27H36O6/c1-2-3-4-5-6-7-8-9-18-31-24-14-16-26(17-15-24)33-21-23(28)20-32-25-12-10-22(11-13-25)19-27(29)30/h10-17H,2-9,18-21H2,1H3,(H,29,30)
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n/an/a 17n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50188308
PNG
(2-(3-(8-cyanoquinolin-4-yl)-2,5-dimethyl-1H-indol-...)
Show SMILES Cc1c(-c2ccnc3c(cccc23)C#N)c2cc(C)ccc2n1CC(O)=O
Show InChI InChI=1S/C22H17N3O2/c1-13-6-7-19-18(10-13)21(14(2)25(19)12-20(26)27)16-8-9-24-22-15(11-23)4-3-5-17(16)22/h3-10H,12H2,1-2H3,(H,26,27)
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n/an/a 18n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4287-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.062
BindingDB Entry DOI: 10.7270/Q2G44PX7
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50188314
PNG
(2-(2,5-dimethyl-3-(2-methylquinolin-4-yl)-1H-indol...)
Show SMILES Cc1c(-c2cc(C)nc3ccccc23)c2cc(C)ccc2n1CC(O)=O
Show InChI InChI=1S/C22H20N2O2/c1-13-8-9-20-18(10-13)22(15(3)24(20)12-21(25)26)17-11-14(2)23-19-7-5-4-6-16(17)19/h4-11H,12H2,1-3H3,(H,25,26)
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n/an/a 18n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4287-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.062
BindingDB Entry DOI: 10.7270/Q2G44PX7
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50098961
PNG
(6-Cyclopropyl-6,7-dihydro-thieno[3,2-c]pyridin-4-y...)
Show SMILES NC1=NC(Cc2sccc12)C1CC1
Show InChI InChI=1S/C10H12N2S/c11-10-7-3-4-13-9(7)5-8(12-10)6-1-2-6/h3-4,6,8H,1-2,5H2,(H2,11,12)
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n/an/a 18n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Ability to inhibit the conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by n-NOS from rat cerebellum


Bioorg Med Chem Lett 11: 1027-30 (2001)


Article DOI: 10.1016/s0960-894x(01)00120-2
BindingDB Entry DOI: 10.7270/Q2F76BT7
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110854
PNG
(4-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxy]-3-nitro-b...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2[N+]([O-])=O)C(O)=O)cc1
Show InChI InChI=1S/C26H33NO8/c1-2-3-4-5-6-7-8-9-16-33-22-11-13-23(14-12-22)34-18-21(28)19-35-25-15-10-20(26(29)30)17-24(25)27(31)32/h10-15,17H,2-9,16,18-19H2,1H3,(H,29,30)
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50188313
PNG
(2-(2,5-dimethyl-3-(quinolin-4-yl)-1H-indol-1-yl)ac...)
Show SMILES Cc1c(-c2ccnc3ccccc23)c2cc(C)ccc2n1CC(O)=O
Show InChI InChI=1S/C21H18N2O2/c1-13-7-8-19-17(11-13)21(14(2)23(19)12-20(24)25)16-9-10-22-18-6-4-3-5-15(16)18/h3-11H,12H2,1-2H3,(H,24,25)
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n/an/a 21n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4287-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.062
BindingDB Entry DOI: 10.7270/Q2G44PX7
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50188310
PNG
(2-(2,5-dimethyl-3-(8-(methylsulfonyl)quinolin-4-yl...)
Show SMILES Cc1c(-c2ccnc3c(cccc23)S(C)(=O)=O)c2cc(C)ccc2n1CC(O)=O
Show InChI InChI=1S/C22H20N2O4S/c1-13-7-8-18-17(11-13)21(14(2)24(18)12-20(25)26)15-9-10-23-22-16(15)5-4-6-19(22)29(3,27)28/h4-11H,12H2,1-3H3,(H,25,26)
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n/an/a 23n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4287-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.062
BindingDB Entry DOI: 10.7270/Q2G44PX7
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50098951
PNG
(6-Ethynyl-6,7-dihydro-thieno[3,2-c]pyridin-4-ylami...)
Show SMILES NC1=NC(Cc2sccc12)C#C
Show InChI InChI=1S/C9H8N2S/c1-2-6-5-8-7(3-4-12-8)9(10)11-6/h1,3-4,6H,5H2,(H2,10,11)
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n/an/a 25n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Ability to inhibit the conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by n-NOS from rat cerebellum


Bioorg Med Chem Lett 11: 1027-30 (2001)


Article DOI: 10.1016/s0960-894x(01)00120-2
BindingDB Entry DOI: 10.7270/Q2F76BT7
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50148168
PNG
((E)-8-Propyl-3,4,5,6,7,8-hexahydro-azocin-2-ylamin...)
Show SMILES CCCC1CCCCCC(N)=N1
Show InChI InChI=1S/C10H20N2/c1-2-6-9-7-4-3-5-8-10(11)12-9/h9H,2-8H2,1H3,(H2,11,12)
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n/an/a 26n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
In vitro inhibition of human Inducible nitric oxide synthase.


J Med Chem 47: 3320-3 (2004)


Article DOI: 10.1021/jm031035n
BindingDB Entry DOI: 10.7270/Q25M656D
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110873
PNG
(4-[3-(4-Dodecyloxy-phenoxy)-2-oxo-propoxy]-benzoic...)
Show SMILES CCCCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C28H38O6/c1-2-3-4-5-6-7-8-9-10-11-20-32-25-16-18-27(19-17-25)34-22-24(29)21-33-26-14-12-23(13-15-26)28(30)31/h12-19H,2-11,20-22H2,1H3,(H,30,31)
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n/an/a 26n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50221044
PNG
(CHEMBL309253)
Show SMILES Sc1nc(nn1Cc1cccc(Cl)c1)-c1ccccc1Cl
Show InChI InChI=1S/C15H11Cl2N3S/c16-11-5-3-4-10(8-11)9-20-15(21)18-14(19-20)12-6-1-2-7-13(12)17/h1-8H,9H2,(H,18,19,21)
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n/an/a<28n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]IL8 to human recombinant CXC chemokine receptor 2 (CXCR2) expressed in HEK 293 membranes


Bioorg Med Chem Lett 13: 2625-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00561-4
BindingDB Entry DOI: 10.7270/Q2B56J5K
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110875
PNG
(5-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxy]-pentanoic...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COCCCCC(O)=O)cc1
Show InChI InChI=1S/C24H38O6/c1-2-3-4-5-6-7-8-10-18-29-22-13-15-23(16-14-22)30-20-21(25)19-28-17-11-9-12-24(26)27/h13-16H,2-12,17-20H2,1H3,(H,26,27)
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110846
PNG
(4-(3-(4-(decyloxy)phenoxy)-2-oxopropoxy)benzoic ac...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C26H34O6/c1-2-3-4-5-6-7-8-9-18-30-23-14-16-25(17-15-23)32-20-22(27)19-31-24-12-10-21(11-13-24)26(28)29/h10-17H,2-9,18-20H2,1H3,(H,28,29)
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM50225550
PNG
(CHEMBL392558 | N-adamantan-1-ylmethyl-2-chloro-5-p...)
Show SMILES Clc1ccc(CC2CCCNC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H33ClN2O/c25-22-4-3-16(6-17-2-1-5-26-14-17)10-21(22)23(28)27-15-24-11-18-7-19(12-24)9-20(8-18)13-24/h3-4,10,17-20,26H,1-2,5-9,11-15H2,(H,27,28)
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n/an/a 32n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...


J Med Chem 50: 5882-5 (2007)


Article DOI: 10.1021/jm700949w
BindingDB Entry DOI: 10.7270/Q2HQ3ZM9
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM50225551
PNG
(CHEMBL392378 | N-adamantan-1-ylmethyl-2-chloro-5-(...)
Show SMILES Clc1ccc(NC2CCCNC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H32ClN3O/c24-21-4-3-18(27-19-2-1-5-25-13-19)9-20(21)22(28)26-14-23-10-15-6-16(11-23)8-17(7-15)12-23/h3-4,9,15-17,19,25,27H,1-2,5-8,10-14H2,(H,26,28)
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n/an/a 32n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...


J Med Chem 50: 5882-5 (2007)


Article DOI: 10.1021/jm700949w
BindingDB Entry DOI: 10.7270/Q2HQ3ZM9
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110865
PNG
(3-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxymethyl]-ben...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COCc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C27H36O6/c1-2-3-4-5-6-7-8-9-17-32-25-13-15-26(16-14-25)33-21-24(28)20-31-19-22-11-10-12-23(18-22)27(29)30/h10-16,18H,2-9,17,19-21H2,1H3,(H,29,30)
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n/an/a 35n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50124535
PNG
(1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[...)
Show SMILES NC1=NC2(CCN(CC2)C(=O)c2ccc(nc2)C#N)Nc2c(F)ccc(F)c12
Show InChI InChI=1S/C19H16F2N6O/c20-13-3-4-14(21)16-15(13)17(23)26-19(25-16)5-7-27(8-6-19)18(28)11-1-2-12(9-22)24-10-11/h1-4,10,25H,5-8H2,(H2,23,26)
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n/an/a 37n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
In vitro inhibition of human Inducible nitric oxide synthase.


J Med Chem 47: 3320-3 (2004)


Article DOI: 10.1021/jm031035n
BindingDB Entry DOI: 10.7270/Q25M656D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50098950
PNG
(5-Furan-2-yl-4,5-dihydro-thieno[2,3-c]pyridin-7-yl...)
Show SMILES NC1=NC(Cc2ccsc12)c1ccco1
Show InChI InChI=1S/C11H10N2OS/c12-11-10-7(3-5-15-10)6-8(13-11)9-2-1-4-14-9/h1-5,8H,6H2,(H2,12,13)
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n/an/a 40n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Ability to inhibit the conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by n-NOS from rat cerebellum


Bioorg Med Chem Lett 11: 1027-30 (2001)


Article DOI: 10.1016/s0960-894x(01)00120-2
BindingDB Entry DOI: 10.7270/Q2F76BT7
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50098959
PNG
(5-Ethynyl-4,5-dihydro-thieno[2,3-c]pyridin-7-ylami...)
Show SMILES NC1=NC(Cc2ccsc12)C#C
Show InChI InChI=1S/C9H8N2S/c1-2-7-5-6-3-4-12-8(6)9(10)11-7/h1,3-4,7H,5H2,(H2,10,11)
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n/an/a 40n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Ability to inhibit the conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by i-NOS from human DLD-1 cells


Bioorg Med Chem Lett 11: 1027-30 (2001)


Article DOI: 10.1016/s0960-894x(01)00120-2
BindingDB Entry DOI: 10.7270/Q2F76BT7
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50188302
PNG
(2-(1-(7-chloroquinolin-4-yl)-5-methoxy-2-methyl-1H...)
Show SMILES COc1ccc2n(c(C)c(CC(O)=O)c2c1)-c1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C21H17ClN2O3/c1-12-16(11-21(25)26)17-10-14(27-2)4-6-19(17)24(12)20-7-8-23-18-9-13(22)3-5-15(18)20/h3-10H,11H2,1-2H3,(H,25,26)
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n/an/a 40n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibition of COX1-mediated platelet aggregation


Bioorg Med Chem Lett 16: 4287-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.062
BindingDB Entry DOI: 10.7270/Q2G44PX7
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110872
PNG
(4-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxymethyl]-ben...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COCc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C27H36O6/c1-2-3-4-5-6-7-8-9-18-32-25-14-16-26(17-15-25)33-21-24(28)20-31-19-22-10-12-23(13-11-22)27(29)30/h10-17H,2-9,18-21H2,1H3,(H,29,30)
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n/an/a 40n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50091805
PNG
(2-amino-4,6-dimethylpyridine | 4,6-Dimethyl-pyridi...)
Show SMILES Cc1cc(C)nc(N)c1
Show InChI InChI=1S/C7H10N2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3,(H2,8,9)
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n/an/a 45n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
In vitro inhibition of human Inducible nitric oxide synthase.


J Med Chem 47: 3320-3 (2004)


Article DOI: 10.1021/jm031035n
BindingDB Entry DOI: 10.7270/Q25M656D
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110884
PNG
(4-[3-(4-Octyloxy-phenoxy)-2-oxo-propoxy]-benzoic a...)
Show SMILES CCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C24H30O6/c1-2-3-4-5-6-7-16-28-21-12-14-23(15-13-21)30-18-20(25)17-29-22-10-8-19(9-11-22)24(26)27/h8-15H,2-7,16-18H2,1H3,(H,26,27)
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n/an/a 46n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110879
PNG
(4-{2-Oxo-3-[4-(5-phenyl-pentyloxy)-phenoxy]-propox...)
Show SMILES OC(=O)c1ccc(OCC(=O)COc2ccc(OCCCCCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C27H28O6/c28-23(19-32-25-12-10-22(11-13-25)27(29)30)20-33-26-16-14-24(15-17-26)31-18-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,10-17H,2,5-6,9,18-20H2,(H,29,30)
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n/an/a 48n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50177602
PNG
(2-(5-(3-phenoxybenzylthio)-2-aminothiazolo[4,5-d]p...)
Show SMILES CC(C)(CO)Nc1nc(SCc2cccc(Oc3ccccc3)c2)nc2nc(N)sc12
Show InChI InChI=1S/C22H23N5O2S2/c1-22(2,13-28)27-19-17-18(24-20(23)31-17)25-21(26-19)30-12-14-7-6-10-16(11-14)29-15-8-4-3-5-9-15/h3-11,28H,12-13H2,1-2H3,(H3,23,24,25,26,27)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 membranes by SPA


Bioorg Med Chem Lett 16: 960-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.091
BindingDB Entry DOI: 10.7270/Q2D79B09
More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50098962
PNG
(5-Cyclopropyl-4,5-dihydro-thieno[2,3-c]pyridin-7-y...)
Show SMILES NC1=NC(Cc2ccsc12)C1CC1
Show InChI InChI=1S/C10H12N2S/c11-10-9-7(3-4-13-9)5-8(12-10)6-1-2-6/h3-4,6,8H,1-2,5H2,(H2,11,12)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Ability to inhibit the conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by e-NOS from HUVECcells


Bioorg Med Chem Lett 11: 1027-30 (2001)


Article DOI: 10.1016/s0960-894x(01)00120-2
BindingDB Entry DOI: 10.7270/Q2F76BT7
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50098953
PNG
(5-Thiophen-2-yl-4,5-dihydro-thieno[2,3-c]pyridin-7...)
Show SMILES NC1=NC(Cc2ccsc12)c1cccs1
Show InChI InChI=1S/C11H10N2S2/c12-11-10-7(3-5-15-10)6-8(13-11)9-2-1-4-14-9/h1-5,8H,6H2,(H2,12,13)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Ability to inhibit the conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by n-NOS from rat cerebellum


Bioorg Med Chem Lett 11: 1027-30 (2001)


Article DOI: 10.1016/s0960-894x(01)00120-2
BindingDB Entry DOI: 10.7270/Q2F76BT7
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110888
PNG
(3-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxy]-benzoic a...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C26H34O6/c1-2-3-4-5-6-7-8-9-17-30-23-13-15-24(16-14-23)31-19-22(27)20-32-25-12-10-11-21(18-25)26(28)29/h10-16,18H,2-9,17,19-20H2,1H3,(H,28,29)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50188304
PNG
(2-(3-(7-chloroquinolin-4-yl)-5-methoxy-2-methyl-1H...)
Show SMILES COc1ccc2n(CC(O)=O)c(C)c(-c3ccnc4cc(Cl)ccc34)c2c1
Show InChI InChI=1S/C21H17ClN2O3/c1-12-21(16-7-8-23-18-9-13(22)3-5-15(16)18)17-10-14(27-2)4-6-19(17)24(12)11-20(25)26/h3-10H,11H2,1-2H3,(H,25,26)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4287-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.062
BindingDB Entry DOI: 10.7270/Q2G44PX7
More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50091817
PNG
(4-Methyl-6-propyl-pyridin-2-ylamine | 4-Methyl-6-p...)
Show SMILES CCCc1cc(C)cc(N)n1
Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h5-6H,3-4H2,1-2H3,(H2,10,11)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
In vitro inhibition of human endothelial nitric oxide synthase.


J Med Chem 47: 3320-3 (2004)


Article DOI: 10.1021/jm031035n
BindingDB Entry DOI: 10.7270/Q25M656D
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50098962
PNG
(5-Cyclopropyl-4,5-dihydro-thieno[2,3-c]pyridin-7-y...)
Show SMILES NC1=NC(Cc2ccsc12)C1CC1
Show InChI InChI=1S/C10H12N2S/c11-10-9-7(3-4-13-9)5-8(12-10)6-1-2-6/h3-4,6,8H,1-2,5H2,(H2,11,12)
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n/an/a 51n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Ability to inhibit the conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by i-NOS from human DLD-1 cells


Bioorg Med Chem Lett 11: 1027-30 (2001)


Article DOI: 10.1016/s0960-894x(01)00120-2
BindingDB Entry DOI: 10.7270/Q2F76BT7
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50148169
PNG
((4-Chloro-phenyl)-[4-(4-methoxy-pyridin-2-ylamino)...)
Show SMILES COc1ccnc(NC2CCN(CC2)C(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C18H20ClN3O2/c1-24-16-6-9-20-17(12-16)21-15-7-10-22(11-8-15)18(23)13-2-4-14(19)5-3-13/h2-6,9,12,15H,7-8,10-11H2,1H3,(H,20,21)
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n/an/a 53n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
In vitro inhibition of human Inducible nitric oxide synthase.


J Med Chem 47: 3320-3 (2004)


Article DOI: 10.1021/jm031035n
BindingDB Entry DOI: 10.7270/Q25M656D
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110860
PNG
(CHEMBL29247 | {3-[3-(4-Decyloxy-phenoxy)-2-oxo-pro...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2cccc(CC(O)=O)c2)cc1
Show InChI InChI=1S/C27H36O6/c1-2-3-4-5-6-7-8-9-17-31-24-13-15-25(16-14-24)32-20-23(28)21-33-26-12-10-11-22(18-26)19-27(29)30/h10-16,18H,2-9,17,19-21H2,1H3,(H,29,30)
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n/an/a 60n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110853
PNG
(CHEMBL29246 | {3-[3-(4-Decyloxy-phenoxy)-2-oxo-pro...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2cccc(OCC(O)=O)c2)cc1
Show InChI InChI=1S/C27H36O7/c1-2-3-4-5-6-7-8-9-17-31-23-13-15-24(16-14-23)32-19-22(28)20-33-25-11-10-12-26(18-25)34-21-27(29)30/h10-16,18H,2-9,17,19-21H2,1H3,(H,29,30)
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n/an/a 60n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by bilayer assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM50411436
PNG
(CHEMBL235581)
Show SMILES Clc1ccc(CC2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H33ClN2O/c25-22-2-1-17(7-16-3-5-26-6-4-16)11-21(22)23(28)27-15-24-12-18-8-19(13-24)10-20(9-18)14-24/h1-2,11,16,18-20,26H,3-10,12-15H2,(H,27,28)
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n/an/a 63n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...


J Med Chem 50: 5882-5 (2007)


Article DOI: 10.1021/jm700949w
BindingDB Entry DOI: 10.7270/Q2HQ3ZM9
More data for this
Ligand-Target Pair
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