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Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'vasänge' and Initial = 'm'   
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
Cyclooxygenase


(Homo sapiens (Human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a 2.5n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated bone marrow derived mast cells


J Nat Prod 65: 1517-21 (2002)


Article DOI: 10.1021/np020023m
BindingDB Entry DOI: 10.7270/Q2DV1JNG
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a<100n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of COX2


J Nat Prod 65: 1517-21 (2002)


Article DOI: 10.1021/np020023m
BindingDB Entry DOI: 10.7270/Q2DV1JNG
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50029593
PNG
(CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
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n/an/a 160n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of COX2 by scintillation proximity assay


J Nat Prod 65: 1517-21 (2002)


Article DOI: 10.1021/np020023m
BindingDB Entry DOI: 10.7270/Q2DV1JNG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50390639
PNG
(CHEMBL2069712)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1nc2ccc(F)cc2s1
Show InChI InChI=1S/C11H7FN2O2S3/c12-7-1-2-8-9(4-7)18-11(14-8)6-3-10(17-5-6)19(13,15)16/h1-5H,(H2,13,15,16)
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n/an/a 331n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5919-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.068
BindingDB Entry DOI: 10.7270/Q2G73FTN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50390640
PNG
(CHEMBL2069713)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1nc2ccc(Cl)cc2s1
Show InChI InChI=1S/C11H7ClN2O2S3/c12-7-1-2-8-9(4-7)18-11(14-8)6-3-10(17-5-6)19(13,15)16/h1-5H,(H2,13,15,16)
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n/an/a 355n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5919-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.068
BindingDB Entry DOI: 10.7270/Q2G73FTN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50390638
PNG
(CHEMBL2069711)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1nc2ccccc2s1
Show InChI InChI=1S/C11H8N2O2S3/c12-18(14,15)10-5-7(6-16-10)11-13-8-3-1-2-4-9(8)17-11/h1-6H,(H2,12,14,15)
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n/an/a 551n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5919-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.068
BindingDB Entry DOI: 10.7270/Q2G73FTN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50390653
PNG
(CHEMBL2069727)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1nc2ccc(F)c(Cl)c2s1
Show InChI InChI=1S/C11H6ClFN2O2S3/c12-9-6(13)1-2-7-10(9)19-11(15-7)5-3-8(18-4-5)20(14,16)17/h1-4H,(H2,14,16,17)
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n/an/a 672n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5919-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.068
BindingDB Entry DOI: 10.7270/Q2G73FTN
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM22369
PNG
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 760n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of COX2 by scintillation proximity assay


J Nat Prod 65: 1517-21 (2002)


Article DOI: 10.1021/np020023m
BindingDB Entry DOI: 10.7270/Q2DV1JNG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50390641
PNG
(CHEMBL2069714)
Show SMILES Cc1ccc2nc(sc2c1)-c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C12H10N2O2S3/c1-7-2-3-9-10(4-7)18-12(14-9)8-5-11(17-6-8)19(13,15)16/h2-6H,1H3,(H2,13,15,16)
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n/an/a 1.26E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5919-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.068
BindingDB Entry DOI: 10.7270/Q2G73FTN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50390642
PNG
(CHEMBL2069715)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1nc2ccc(cc2s1)[N+]([O-])=O
Show InChI InChI=1S/C11H7N3O4S3/c12-21(17,18)10-3-6(5-19-10)11-13-8-2-1-7(14(15)16)4-9(8)20-11/h1-5H,(H2,12,17,18)
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n/an/a 1.27E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5919-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.068
BindingDB Entry DOI: 10.7270/Q2G73FTN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50390645
PNG
(CHEMBL2069719)
Show SMILES O=S(=O)(Nc1nccs1)c1cc(cs1)-c1nc2ccccc2s1
Show InChI InChI=1S/C14H9N3O2S4/c18-23(19,17-14-15-5-6-20-14)12-7-9(8-21-12)13-16-10-3-1-2-4-11(10)22-13/h1-8H,(H,15,17)
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n/an/a 1.76E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5919-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.068
BindingDB Entry DOI: 10.7270/Q2G73FTN
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
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 3.90E+3n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of COX1 by scintillation proximity assay


J Nat Prod 65: 1517-21 (2002)


Article DOI: 10.1021/np020023m
BindingDB Entry DOI: 10.7270/Q2DV1JNG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50390640
PNG
(CHEMBL2069713)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1nc2ccc(Cl)cc2s1
Show InChI InChI=1S/C11H7ClN2O2S3/c12-7-1-2-8-9(4-7)18-11(14-8)6-3-10(17-5-6)19(13,15)16/h1-5H,(H2,13,15,16)
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n/an/a 4.36E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Cdk5/p25-mediated myosin heavy chain phosphorylation in HEK293 cells


Bioorg Med Chem Lett 22: 5919-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.068
BindingDB Entry DOI: 10.7270/Q2G73FTN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50390647
PNG
(CHEMBL2069721)
Show SMILES CCOC(=O)Cc1csc(NS(=O)(=O)c2cc(cs2)-c2nc3ccccc3s2)n1
Show InChI InChI=1S/C18H15N3O4S4/c1-2-25-15(22)8-12-10-27-18(19-12)21-29(23,24)16-7-11(9-26-16)17-20-13-5-3-4-6-14(13)28-17/h3-7,9-10H,2,8H2,1H3,(H,19,21)
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n/an/a 5.09E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5919-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.068
BindingDB Entry DOI: 10.7270/Q2G73FTN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50390648
PNG
(CHEMBL2069722)
Show SMILES O=S(=O)(NCc1ccccn1)c1cc(cs1)-c1nc2ccccc2s1
Show InChI InChI=1S/C17H13N3O2S3/c21-25(22,19-10-13-5-3-4-8-18-13)16-9-12(11-23-16)17-20-14-6-1-2-7-15(14)24-17/h1-9,11,19H,10H2
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n/an/a 5.47E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5919-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.068
BindingDB Entry DOI: 10.7270/Q2G73FTN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50390643
PNG
(CHEMBL2069716)
Show SMILES CC(=O)c1ccc2nc(sc2c1)-c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C13H10N2O3S3/c1-7(16)8-2-3-10-11(4-8)20-13(15-10)9-5-12(19-6-9)21(14,17)18/h2-6H,1H3,(H2,14,17,18)
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n/an/a 6.31E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5919-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.068
BindingDB Entry DOI: 10.7270/Q2G73FTN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50390654
PNG
(CHEMBL2069728)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1nc2cccc(-c3ccc(F)cc3)c2s1
Show InChI InChI=1S/C17H11FN2O2S3/c18-12-6-4-10(5-7-12)13-2-1-3-14-16(13)24-17(20-14)11-8-15(23-9-11)25(19,21)22/h1-9H,(H2,19,21,22)
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n/an/a 6.78E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5919-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.068
BindingDB Entry DOI: 10.7270/Q2G73FTN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50390655
PNG
(CHEMBL2069717)
Show SMILES ONS(=O)(=O)c1cc(cs1)-c1nc2ccccc2s1
Show InChI InChI=1S/C11H8N2O3S3/c14-13-19(15,16)10-5-7(6-17-10)11-12-8-3-1-2-4-9(8)18-11/h1-6,13-14H
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n/an/a 7.42E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5919-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.068
BindingDB Entry DOI: 10.7270/Q2G73FTN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50390651
PNG
(CHEMBL2069725)
Show SMILES O=S(=O)(Nc1ccc(nc1)N1CCOCC1)c1cc(cs1)-c1nc2ccccc2s1
Show InChI InChI=1S/C20H18N4O3S3/c25-30(26,23-15-5-6-18(21-12-15)24-7-9-27-10-8-24)19-11-14(13-28-19)20-22-16-3-1-2-4-17(16)29-20/h1-6,11-13,23H,7-10H2
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n/an/a 7.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5919-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.068
BindingDB Entry DOI: 10.7270/Q2G73FTN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50390646
PNG
(CHEMBL2069720)
Show SMILES Cc1nc(NS(=O)(=O)c2cc(cs2)-c2nc3ccccc3s2)sc1C
Show InChI InChI=1S/C16H13N3O2S4/c1-9-10(2)23-16(17-9)19-25(20,21)14-7-11(8-22-14)15-18-12-5-3-4-6-13(12)24-15/h3-8H,1-2H3,(H,17,19)
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n/an/a 8.22E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5919-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.068
BindingDB Entry DOI: 10.7270/Q2G73FTN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50390649
PNG
(CHEMBL2069723)
Show SMILES Cc1ccnc(NS(=O)(=O)c2cc(cs2)-c2nc3ccccc3s2)c1
Show InChI InChI=1S/C17H13N3O2S3/c1-11-6-7-18-15(8-11)20-25(21,22)16-9-12(10-23-16)17-19-13-4-2-3-5-14(13)24-17/h2-10H,1H3,(H,18,20)
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n/an/a 8.27E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5919-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.068
BindingDB Entry DOI: 10.7270/Q2G73FTN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50390652
PNG
(CHEMBL2069726)
Show SMILES OC[C@H]1CCCN1S(=O)(=O)c1cc(cs1)-c1nc2ccccc2s1
Show InChI InChI=1S/C16H16N2O3S3/c19-9-12-4-3-7-18(12)24(20,21)15-8-11(10-22-15)16-17-13-5-1-2-6-14(13)23-16/h1-2,5-6,8,10,12,19H,3-4,7,9H2/t12-/m1/s1
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n/an/a 8.88E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5919-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.068
BindingDB Entry DOI: 10.7270/Q2G73FTN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50390650
PNG
(CHEMBL2069724)
Show SMILES Oc1cccnc1NS(=O)(=O)c1cc(cs1)-c1nc2ccccc2s1
Show InChI InChI=1S/C16H11N3O3S3/c20-12-5-3-7-17-15(12)19-25(21,22)14-8-10(9-23-14)16-18-11-4-1-2-6-13(11)24-16/h1-9,20H,(H,17,19)
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n/an/a 9.94E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5919-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.068
BindingDB Entry DOI: 10.7270/Q2G73FTN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50390644
PNG
(CHEMBL2069718)
Show SMILES FCCNS(=O)(=O)c1cc(cs1)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H11FN2O2S3/c14-5-6-15-21(17,18)12-7-9(8-19-12)13-16-10-3-1-2-4-11(10)20-13/h1-4,7-8,15H,5-6H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5919-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.068
BindingDB Entry DOI: 10.7270/Q2G73FTN
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a 8.60E+4n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of COX2 by scintillation proximity assay


J Nat Prod 65: 1517-21 (2002)


Article DOI: 10.1021/np020023m
BindingDB Entry DOI: 10.7270/Q2DV1JNG
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50079577
PNG
((4aS,6aS,6bR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O
Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21?,22?,23-,27-,28+,29+,30-/m0/s1
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n/an/a 8.70E+4n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of COX2 by scintillation proximity assay


J Nat Prod 65: 1517-21 (2002)


Article DOI: 10.1021/np020023m
BindingDB Entry DOI: 10.7270/Q2DV1JNG
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50164168
PNG
(1,3,4-Eugenol | 1-Hydroxy-2-methoxy-4-allylbenzene...)
Show SMILES COc1cc(CC=C)ccc1O
Show InChI InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
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n/an/a 1.29E+5n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of COX2 by scintillation proximity assay


J Nat Prod 65: 1517-21 (2002)


Article DOI: 10.1021/np020023m
BindingDB Entry DOI: 10.7270/Q2DV1JNG
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50260180
PNG
(1,1':4',1''-Terphenyl | 1,4-Diphenylbenzene | 4-Ph...)
Show SMILES c1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H
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n/an/a 1.44E+5n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of COX2 by scintillation proximity assay


J Nat Prod 65: 1517-21 (2002)


Article DOI: 10.1021/np020023m
BindingDB Entry DOI: 10.7270/Q2DV1JNG
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 7.80E+5n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of COX1 by scintillation proximity assay


J Nat Prod 65: 1517-21 (2002)


Article DOI: 10.1021/np020023m
BindingDB Entry DOI: 10.7270/Q2DV1JNG
More data for this
Ligand-Target Pair