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Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'brewer' 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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50234380
PNG
(CHEMBL245876 | quinolin-8-yl 4-methyl-3-(piperidin...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Oc1cccc2cccnc12
Show InChI InChI=1S/C22H22N2O4S/c1-16-10-11-18(15-20(16)29(26,27)24-13-3-2-4-14-24)22(25)28-19-9-5-7-17-8-6-12-23-21(17)19/h5-12,15H,2-4,13-14H2,1H3
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3n/an/an/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK cells


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234380
PNG
(CHEMBL245876 | quinolin-8-yl 4-methyl-3-(piperidin...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Oc1cccc2cccnc12
Show InChI InChI=1S/C22H22N2O4S/c1-16-10-11-18(15-20(16)29(26,27)24-13-3-2-4-14-24)22(25)28-19-9-5-7-17-8-6-12-23-21(17)19/h5-12,15H,2-4,13-14H2,1H3
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4n/an/an/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK cells


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50118216
PNG
((4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl di...)
Show SMILES Cc1ncc(COP(O)(O)=O)c(C=O)c1O
Show InChI InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
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7.30E+6n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM4706
PNG
((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
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1.23E+7n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Integrin α4β7


(Homo sapiens (Human))
BDBM50374929
PNG
(CHEMBL402364)
Show SMILES O=C1NC(=O)\C(=C\c2c[nH]c3ccccc23)C(=O)N1c1cccc2ccccc12
Show InChI InChI=1S/C23H15N3O3/c27-21-18(12-15-13-24-19-10-4-3-8-16(15)19)22(28)26(23(29)25-21)20-11-5-7-14-6-1-2-9-17(14)20/h1-13,24H,(H,25,27,29)/b18-12-
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n/an/a 60n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50374925
PNG
(CHEMBL272367)
Show SMILES Cn1cc(\C=C2\C(=O)NC(=O)N(C2=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H17N3O3/c1-26-14-16(18-10-4-5-11-20(18)26)13-19-22(28)25-24(30)27(23(19)29)21-12-6-8-15-7-2-3-9-17(15)21/h2-14H,1H3,(H,25,28,30)/b19-13-
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n/an/a 180n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50374930
PNG
(CHEMBL257458)
Show SMILES O=C1NC(=O)\C(=C\c2c[nH]c3ccccc23)C(=O)N1c1ccccc1-c1ccccc1
Show InChI InChI=1S/C25H17N3O3/c29-23-20(14-17-15-26-21-12-6-4-10-18(17)21)24(30)28(25(31)27-23)22-13-7-5-11-19(22)16-8-2-1-3-9-16/h1-15,26H,(H,27,29,31)/b20-14-
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n/an/a 260n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50374933
PNG
(CHEMBL402647)
Show SMILES O=C1NC(=O)\C(=C\c2c[nH]c3ccccc23)C(=O)N1c1ccccc1
Show InChI InChI=1S/C19H13N3O3/c23-17-15(10-12-11-20-16-9-5-4-8-14(12)16)18(24)22(19(25)21-17)13-6-2-1-3-7-13/h1-11,20H,(H,21,23,25)/b15-10-
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n/an/a 900n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50374928
PNG
(CHEMBL404714)
Show SMILES Clc1ccc(cc1)N1C(=O)NC(=O)\C(=C\c2ccccc2)C1=O
Show InChI InChI=1S/C17H11ClN2O3/c18-12-6-8-13(9-7-12)20-16(22)14(15(21)19-17(20)23)10-11-4-2-1-3-5-11/h1-10H,(H,19,21,23)/b14-10-
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n/an/a 1.00E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50374927
PNG
(CHEMBL255836)
Show SMILES FC(F)(F)c1ccc(\C=C2\C(=O)NC(=O)N(C2=O)c2ccccc2)cc1
Show InChI InChI=1S/C18H11F3N2O3/c19-18(20,21)12-8-6-11(7-9-12)10-14-15(24)22-17(26)23(16(14)25)13-4-2-1-3-5-13/h1-10H,(H,22,24,26)/b14-10-
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n/an/a 1.30E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50374935
PNG
(CHEMBL271052)
Show SMILES O=C1NC(=O)\C(=C\c2ccco2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C15H10N2O4/c18-13-12(9-11-7-4-8-21-11)14(19)17(15(20)16-13)10-5-2-1-3-6-10/h1-9H,(H,16,18,20)/b12-9-
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n/an/a 1.30E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50374926
PNG
(CHEMBL272366)
Show SMILES Clc1cc(Cl)cc(c1)N1C(=O)NC(=O)\C(=C\c2ccccc2)C1=O
Show InChI InChI=1S/C17H10Cl2N2O3/c18-11-7-12(19)9-13(8-11)21-16(23)14(15(22)20-17(21)24)6-10-4-2-1-3-5-10/h1-9H,(H,20,22,24)/b14-6-
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n/an/a 1.60E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50374923
PNG
(CHEMBL255561)
Show SMILES O=C1NC(=O)\C(=C\c2ccccc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C17H12N2O3/c20-15-14(11-12-7-3-1-4-8-12)16(21)19(17(22)18-15)13-9-5-2-6-10-13/h1-11H,(H,18,20,22)/b14-11-
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n/an/a 2.20E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50374934
PNG
(CHEMBL271051)
Show SMILES Cn1cc(\C=C2\C(=O)NC(=O)N(C2=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H15N3O3/c1-22-12-13(15-9-5-6-10-17(15)22)11-16-18(24)21-20(26)23(19(16)25)14-7-3-2-4-8-14/h2-12H,1H3,(H,21,24,26)/b16-11-
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n/an/a 4.10E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50374924
PNG
(CHEMBL406677)
Show SMILES CN1C(=O)N(C(=O)\C(=C/c2c[nH]c3ccccc23)C1=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H17N3O3/c1-26-22(28)19(13-16-14-25-20-11-5-4-9-17(16)20)23(29)27(24(26)30)21-12-6-8-15-7-2-3-10-18(15)21/h2-14,25H,1H3/b19-13-
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n/an/a 5.50E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50374936
PNG
(CHEMBL402795)
Show SMILES O=C(\C=C\c1ccccc1)/C=C1/C(=O)NC(=O)N(C1=O)c1ccccc1
Show InChI InChI=1S/C20H14N2O4/c23-16(12-11-14-7-3-1-4-8-14)13-17-18(24)21-20(26)22(19(17)25)15-9-5-2-6-10-15/h1-13H,(H,21,24,26)/b12-11+,17-13-
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n/an/a 8.60E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50374932
PNG
(CHEMBL271050)
Show SMILES O=C1NC(=O)\C(=C\c2cc3ccccc3[nH]2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C19H13N3O3/c23-17-15(11-13-10-12-6-4-5-9-16(12)20-13)18(24)22(19(25)21-17)14-7-2-1-3-8-14/h1-11,20H,(H,21,23,25)/b15-11-
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n/an/a 1.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50374930
PNG
(CHEMBL257458)
Show SMILES O=C1NC(=O)\C(=C\c2c[nH]c3ccccc23)C(=O)N1c1ccccc1-c1ccccc1
Show InChI InChI=1S/C25H17N3O3/c29-23-20(14-17-15-26-21-12-6-4-10-18(17)21)24(30)28(25(31)27-23)22-13-7-5-11-19(22)16-8-2-1-3-9-16/h1-15,26H,(H,27,29,31)/b20-14-
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n/an/a>2.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-5-beta-1-fibronectin interaction


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50374929
PNG
(CHEMBL402364)
Show SMILES O=C1NC(=O)\C(=C\c2c[nH]c3ccccc23)C(=O)N1c1cccc2ccccc12
Show InChI InChI=1S/C23H15N3O3/c27-21-18(12-15-13-24-19-10-4-3-8-16(15)19)22(28)26(23(29)25-21)20-11-5-7-14-6-1-2-9-17(14)20/h1-13,24H,(H,25,27,29)/b18-12-
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n/an/a>2.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-5-beta-1-fibronectin interaction


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50374935
PNG
(CHEMBL271052)
Show SMILES O=C1NC(=O)\C(=C\c2ccco2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C15H10N2O4/c18-13-12(9-11-7-4-8-21-11)14(19)17(15(20)16-13)10-5-2-1-3-6-10/h1-9H,(H,16,18,20)/b12-9-
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Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-5-beta-1-fibronectin interaction


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50374931
PNG
(CHEMBL402126)
Show SMILES CC(C)(C)N1C(=O)NC(=O)\C(=C\c2c[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C17H17N3O3/c1-17(2,3)20-15(22)12(14(21)19-16(20)23)8-10-9-18-13-7-5-4-6-11(10)13/h4-9,18H,1-3H3,(H,19,21,23)/b12-8-
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Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50374930
PNG
(CHEMBL257458)
Show SMILES O=C1NC(=O)\C(=C\c2c[nH]c3ccccc23)C(=O)N1c1ccccc1-c1ccccc1
Show InChI InChI=1S/C25H17N3O3/c29-23-20(14-17-15-26-21-12-6-4-10-18(17)21)24(30)28(25(31)27-23)22-13-7-5-11-19(22)16-8-2-1-3-9-16/h1-15,26H,(H,27,29,31)/b20-14-
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Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-4-beta-1-VCAM interaction


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50374935
PNG
(CHEMBL271052)
Show SMILES O=C1NC(=O)\C(=C\c2ccco2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C15H10N2O4/c18-13-12(9-11-7-4-8-21-11)14(19)17(15(20)16-13)10-5-2-1-3-6-10/h1-9H,(H,16,18,20)/b12-9-
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Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-4-beta-1-VCAM interaction


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50374929
PNG
(CHEMBL402364)
Show SMILES O=C1NC(=O)\C(=C\c2c[nH]c3ccccc23)C(=O)N1c1cccc2ccccc12
Show InChI InChI=1S/C23H15N3O3/c27-21-18(12-15-13-24-19-10-4-3-8-16(15)19)22(28)26(23(29)25-21)20-11-5-7-14-6-1-2-9-17(14)20/h1-13,24H,(H,25,27,29)/b18-12-
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Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-4-beta-1-VCAM interaction


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266507
PNG
(3-(benzo[d]thiazol-2-yl)-4-(2,5-dimethylphenyl)but...)
Show SMILES Cc1ccc(C)c(\C=C(/CC([O-])=O)c2nc3ccccc3s2)c1
Show InChI InChI=1S/C19H17NO2S/c1-12-7-8-13(2)14(9-12)10-15(11-18(21)22)19-20-16-5-3-4-6-17(16)23-19/h3-10H,11H2,1-2H3,(H,21,22)/p-1/b15-10+
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University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266479
PNG
(3-(benzo[d]thiazol-2-yl)-4-(3-fluorophenyl)but-3-e...)
Show SMILES [O-]C(=O)C\C(=C/c1cccc(F)c1)c1nc2ccccc2s1
Show InChI InChI=1S/C17H12FNO2S/c18-13-5-3-4-11(9-13)8-12(10-16(20)21)17-19-14-6-1-2-7-15(14)22-17/h1-9H,10H2,(H,20,21)/p-1/b12-8+
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University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266509
PNG
(3-(benzo[d]thiazol-2-yl)-4-(3-(trifluoromethyl)phe...)
Show SMILES [O-]C(=O)C\C(=C/c1cccc(c1)C(F)(F)F)c1nc2ccccc2s1
Show InChI InChI=1S/C18H12F3NO2S/c19-18(20,21)13-5-3-4-11(9-13)8-12(10-16(23)24)17-22-14-6-1-2-7-15(14)25-17/h1-9H,10H2,(H,23,24)/p-1/b12-8+
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University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266386
PNG
(3-(benzo[d]thiazol-2-yl)-4-(2-isopropoxyphenyl)but...)
Show SMILES CC(C)Oc1ccccc1\C=C(/CC([O-])=O)c1nc2ccccc2s1
Show InChI InChI=1S/C20H19NO3S/c1-13(2)24-17-9-5-3-7-14(17)11-15(12-19(22)23)20-21-16-8-4-6-10-18(16)25-20/h3-11,13H,12H2,1-2H3,(H,22,23)/p-1/b15-11+
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University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266506
PNG
(3-(benzo[d]thiazol-2-yl)-4-(2-ethoxyphenyl)but-3-e...)
Show SMILES CCOc1ccccc1\C=C(/CC([O-])=O)c1nc2ccccc2s1
Show InChI InChI=1S/C19H17NO3S/c1-2-23-16-9-5-3-7-13(16)11-14(12-18(21)22)19-20-15-8-4-6-10-17(15)24-19/h3-11H,2,12H2,1H3,(H,21,22)/p-1/b14-11+
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University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266478
PNG
(3-(benzo[d]thiazol-2-yl)-4-(3,4-dimethoxyphenyl)bu...)
Show SMILES COc1ccc(\C=C(/CC([O-])=O)c2nc3ccccc3s2)cc1OC
Show InChI InChI=1S/C19H17NO4S/c1-23-15-8-7-12(10-16(15)24-2)9-13(11-18(21)22)19-20-14-5-3-4-6-17(14)25-19/h3-10H,11H2,1-2H3,(H,21,22)/p-1/b13-9+
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University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266444
PNG
(2-(4,5-dimethyl-3-(propoxycarbonyl)thiophen-2-ylca...)
Show SMILES CCCOC(=O)c1c(C)c(C)sc1NC(=O)C1CCCCC1C([O-])=O
Show InChI InChI=1S/C18H25NO5S/c1-4-9-24-18(23)14-10(2)11(3)25-16(14)19-15(20)12-7-5-6-8-13(12)17(21)22/h12-13H,4-9H2,1-3H3,(H,19,20)(H,21,22)/p-1
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University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266334
PNG
(2-(2-acetyl-5-tert-butylthiophen-3-ylcarbamoyl)ben...)
Show SMILES CC(=O)c1sc(cc1NC(=O)c1ccccc1C([O-])=O)C(C)(C)C
Show InChI InChI=1S/C18H19NO4S/c1-10(20)15-13(9-14(24-15)18(2,3)4)19-16(21)11-7-5-6-8-12(11)17(22)23/h5-9H,1-4H3,(H,19,21)(H,22,23)/p-1
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n/an/a 2.70E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266335
PNG
((5-(2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethylth...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)[N-]c1nnc(SCC(=O)Nc2ccc3OCOc3c2)s1
Show InChI InChI=1S/C18H16N4O5S3/c1-11-2-5-13(6-3-11)30(24,25)22-17-20-21-18(29-17)28-9-16(23)19-12-4-7-14-15(8-12)27-10-26-14/h2-8H,9-10H2,1H3,(H2,19,20,22,23)/p-1
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University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266510
PNG
(2-(2-acetylthiophen-3-ylcarbamoyl)benzoate | cid_2...)
Show SMILES CC(=O)c1sccc1NC(=O)c1ccccc1C([O-])=O
Show InChI InChI=1S/C14H11NO4S/c1-8(16)12-11(6-7-20-12)15-13(17)9-4-2-3-5-10(9)14(18)19/h2-7H,1H3,(H,15,17)(H,18,19)/p-1
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University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266386
PNG
(3-(benzo[d]thiazol-2-yl)-4-(2-isopropoxyphenyl)but...)
Show SMILES CC(C)Oc1ccccc1\C=C(/CC([O-])=O)c1nc2ccccc2s1
Show InChI InChI=1S/C20H19NO3S/c1-13(2)24-17-9-5-3-7-14(17)11-15(12-19(22)23)20-21-16-8-4-6-10-18(16)25-20/h3-11,13H,12H2,1-2H3,(H,22,23)/p-1/b15-11+
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University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by TIA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266477
PNG
(3-(benzo[d]thiazol-2-yl)-4-(3-methoxyphenyl)but-3-...)
Show SMILES COc1cccc(\C=C(/CC([O-])=O)c2nc3ccccc3s2)c1
Show InChI InChI=1S/C18H15NO3S/c1-22-14-6-4-5-12(10-14)9-13(11-17(20)21)18-19-15-7-2-3-8-16(15)23-18/h2-10H,11H2,1H3,(H,20,21)/p-1/b13-9+
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University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266506
PNG
(3-(benzo[d]thiazol-2-yl)-4-(2-ethoxyphenyl)but-3-e...)
Show SMILES CCOc1ccccc1\C=C(/CC([O-])=O)c1nc2ccccc2s1
Show InChI InChI=1S/C19H17NO3S/c1-2-23-16-9-5-3-7-13(16)11-14(12-18(21)22)19-20-15-8-4-6-10-17(15)24-19/h3-11H,2,12H2,1H3,(H,21,22)/p-1/b14-11+
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n/an/a 4.20E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by TIA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM4733
PNG
(5-Acetylamino-6-aminopyridine-2-carboxylic acid | ...)
Show SMILES CC(=O)Nc1ccc(nc1N)C(O)=O
Show InChI InChI=1S/C8H9N3O3/c1-4(12)10-5-2-3-6(8(13)14)11-7(5)9/h2-3H,1H3,(H2,9,11)(H,10,12)(H,13,14)
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n/an/a 4.40E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266508
PNG
(3-(benzo[d]thiazol-2-yl)-4-(3-hydroxyphenyl)but-3-...)
Show SMILES Oc1cccc(\C=C(/CC([O-])=O)c2nc3ccccc3s2)c1
Show InChI InChI=1S/C17H13NO3S/c19-13-5-3-4-11(9-13)8-12(10-16(20)21)17-18-14-6-1-2-7-15(14)22-17/h1-9,19H,10H2,(H,20,21)/p-1/b12-8+
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University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by TIA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266705
PNG
(4-acetamido-3-(hydroxymethyl)benzoate)
Show SMILES CC(=O)Nc1ccc(cc1CO)C([O-])=O
Show InChI InChI=1S/C10H11NO4/c1-6(13)11-9-3-2-7(10(14)15)4-8(9)5-12/h2-4,12H,5H2,1H3,(H,11,13)(H,14,15)/p-1
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n/an/a 5.40E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50377984
PNG
(Cephulac Syrup | Cholac | Chronulac | Constilac | ...)
Show SMILES OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1
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n/an/a 5.70E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266707
PNG
((3S,4S,5R)-4-acetamido-3,5-dihydroxycyclohex-1-eny...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)CC(=C[C@@H]1O)P([O-])(=O)CCO[C@@H]1[C@@H](O)C(O)O[C@H](CO)[C@@H]1O |r,c:8|
Show InChI InChI=1S/C16H28NO11P/c1-7(19)17-12-9(20)4-8(5-10(12)21)29(25,26)3-2-27-15-13(22)11(6-18)28-16(24)14(15)23/h4,9-16,18,20-24H,2-3,5-6H2,1H3,(H,17,19)(H,25,26)/p-1/t9-,10-,11+,12-,13-,14+,15-,16?/m0/s1
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n/an/a 1.50E+6n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266703
PNG
(ethyl (3S,4R,5R)-4-acetamido-3-hydroxy-5-(2-hydrox...)
Show SMILES CCOP([O-])(=O)C1=C[C@H](O)[C@@H](NC(C)=O)[C@@H](C1)OCCO |r,t:6|
Show InChI InChI=1S/C12H22NO7P/c1-3-20-21(17,18)9-6-10(16)12(13-8(2)15)11(7-9)19-5-4-14/h6,10-12,14,16H,3-5,7H2,1-2H3,(H,13,15)(H,17,18)/p-1/t10-,11+,12+/m0/s1
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n/an/a 5.00E+6n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234385
PNG
(CHEMBL253671 | N-(4-chlorophenyl)-4-methyl-3-(pipe...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O3S/c1-14-5-6-15(19(23)21-17-9-7-16(20)8-10-17)13-18(14)26(24,25)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3,(H,21,23)
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n/an/an/an/a 1.41E+4n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234387
PNG
((4-cyclohexyl-3-(pyrrolidin-1-ylsulfonyl)phenyl)(o...)
Show SMILES O=C(N1CCC2CCCCC2C1)c1ccc(C2CCCCC2)c(c1)S(=O)(=O)N1CCCC1 |w:5.4,10.11|
Show InChI InChI=1S/C26H38N2O3S/c29-26(27-17-14-20-8-4-5-11-23(20)19-27)22-12-13-24(21-9-2-1-3-10-21)25(18-22)32(30,31)28-15-6-7-16-28/h12-13,18,20-21,23H,1-11,14-17,19H2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234388
PNG
((3-(azepan-1-ylsulfonyl)-4-methylphenyl)(octahydro...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCCC1)C(=O)N1CCC2CCCCC2C1 |w:22.23,27.30|
Show InChI InChI=1S/C23H34N2O3S/c1-18-10-11-20(16-22(18)29(27,28)25-13-6-2-3-7-14-25)23(26)24-15-12-19-8-4-5-9-21(19)17-24/h10-11,16,19,21H,2-9,12-15,17H2,1H3
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n/an/an/an/a 2n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234386
PNG
((4-methyl-3-(thiomorpholinosulfonyl)phenyl)(octahy...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCSCC1)C(=O)N1CCC2CCCCC2C1 |w:21.22,26.29|
Show InChI InChI=1S/C21H30N2O3S2/c1-16-6-7-18(14-20(16)28(25,26)23-10-12-27-13-11-23)21(24)22-9-8-17-4-2-3-5-19(17)15-22/h6-7,14,17,19H,2-5,8-13,15H2,1H3
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n/an/an/an/a 1n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234390
PNG
(4-methyl-N-(1-methylcyclohexyl)-3-(piperidin-1-yls...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)NC1(C)CCCCC1
Show InChI InChI=1S/C20H30N2O3S/c1-16-9-10-17(19(23)21-20(2)11-5-3-6-12-20)15-18(16)26(24,25)22-13-7-4-8-14-22/h9-10,15H,3-8,11-14H2,1-2H3,(H,21,23)
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n/an/an/an/a 18n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234389
PNG
((4-methyl-3-(piperidin-1-ylsulfonyl)phenyl)(octahy...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)N1CCCC2CCCCC12 |w:22.23,27.28|
Show InChI InChI=1S/C22H32N2O3S/c1-17-11-12-19(16-21(17)28(26,27)23-13-5-2-6-14-23)22(25)24-15-7-9-18-8-3-4-10-20(18)24/h11-12,16,18,20H,2-10,13-15H2,1H3
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n/an/an/an/a 6n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234392
PNG
(CHEMBL254531 | N-cyclohexyl-3-(pyrrolidin-1-ylsulf...)
Show SMILES O=C(NC1CCCCC1)c1cccc(c1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C17H24N2O3S/c20-17(18-15-8-2-1-3-9-15)14-7-6-10-16(13-14)23(21,22)19-11-4-5-12-19/h6-7,10,13,15H,1-5,8-9,11-12H2,(H,18,20)
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n/an/an/an/a>2.00E+4n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
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