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Compile Data Set for Download or QSAR

Found 157 hits with Last Name = 'spallarossa' and Initial = 'a'   
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 2


(Homo sapiens (Human))
BDBM50354137
PNG
(CHEMBL1836187)
Show SMILES O=S(=O)(C(=C\c1cn(CCN2CCCCC2)c2ccccc12)\C#N)c1ccccc1
Show InChI InChI=1S/C24H25N3O2S/c25-18-22(30(28,29)21-9-3-1-4-10-21)17-20-19-27(24-12-6-5-11-23(20)24)16-15-26-13-7-2-8-14-26/h1,3-6,9-12,17,19H,2,7-8,13-16H2/b22-17+
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7.5n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354135
PNG
(CHEMBL1836189)
Show SMILES O=S(=O)(C(=C\c1cn(CCN2CCOCC2)c2ccccc12)\C#N)c1ccccc1
Show InChI InChI=1S/C23H23N3O3S/c24-17-21(30(27,28)20-6-2-1-3-7-20)16-19-18-26(23-9-5-4-8-22(19)23)11-10-25-12-14-29-15-13-25/h1-9,16,18H,10-15H2/b21-16+
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10.2n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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25n/an/an/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


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


Eur J Med Chem 43: 2627-38 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.043
BindingDB Entry DOI: 10.7270/Q2ZS2W9S
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354135
PNG
(CHEMBL1836189)
Show SMILES O=S(=O)(C(=C\c1cn(CCN2CCOCC2)c2ccccc12)\C#N)c1ccccc1
Show InChI InChI=1S/C23H23N3O3S/c24-17-21(30(27,28)20-6-2-1-3-7-20)16-19-18-26(23-9-5-4-8-22(19)23)11-10-25-12-14-29-15-13-25/h1-9,16,18H,10-15H2/b21-16+
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62n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50247204
PNG
(CHEMBL474125 | N-Cyclopropyl-1-(2,4-dichlorophenyl...)
Show SMILES Clc1ccc(c(Cl)c1)-n1ncc(C(=O)NC2CC2)c1-c1ccc(I)cc1
Show InChI InChI=1S/C19H14Cl2IN3O/c20-12-3-8-17(16(21)9-12)25-18(11-1-4-13(22)5-2-11)15(10-23-25)19(26)24-14-6-7-14/h1-5,8-10,14H,6-7H2,(H,24,26)
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210n/an/an/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


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


Eur J Med Chem 43: 2627-38 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.043
BindingDB Entry DOI: 10.7270/Q2ZS2W9S
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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300n/an/an/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D3 expressed in baculovirus system by radiometric assay


J Med Chem 52: 6546-57 (2009)


Article DOI: 10.1021/jm900977c
BindingDB Entry DOI: 10.7270/Q2N879VV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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490n/an/an/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D1 expressed in baculovirus system by radiometric assay


J Med Chem 52: 6546-57 (2009)


Article DOI: 10.1021/jm900977c
BindingDB Entry DOI: 10.7270/Q2N879VV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50224371
PNG
(1-(2-chloro-2-phenylethyl)-N-(3-chlorophenyl)-6-(e...)
Show SMILES CCSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:19.20|
Show InChI InChI=1S/C21H19Cl2N5S/c1-2-29-21-26-19(25-16-10-6-9-15(22)11-16)17-12-24-28(20(17)27-21)13-18(23)14-7-4-3-5-8-14/h3-12,18H,2,13H2,1H3,(H,25,26,27)
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500n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50142887
PNG
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)
Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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500n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50224368
PNG
(1-(2-chloro-2-phenylethyl)-N-(3-chlorophenyl)-6-(m...)
Show SMILES CSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1S/C20H17Cl2N5S/c1-28-20-25-18(24-15-9-5-8-14(21)10-15)16-11-23-27(19(16)26-20)12-17(22)13-6-3-2-4-7-13/h2-11,17H,12H2,1H3,(H,24,25,26)
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600n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50142880
PNG
(1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenet...)
Show SMILES CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1S/C22H22ClN5S/c1-29-22-26-20(24-13-12-16-8-4-2-5-9-16)18-14-25-28(21(18)27-22)15-19(23)17-10-6-3-7-11-17/h2-11,14,19H,12-13,15H2,1H3,(H,24,26,27)
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700n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50247415
PNG
(5-(4-Chlorophenyl)-N-cyclopropyl-1-(2,4-dichloroph...)
Show SMILES Clc1ccc(cc1)-c1c(cnn1-c1ccc(Cl)cc1Cl)C(=O)NC1CC1
Show InChI InChI=1S/C19H14Cl3N3O/c20-12-3-1-11(2-4-12)18-15(19(26)24-14-6-7-14)10-23-25(18)17-8-5-13(21)9-16(17)22/h1-5,8-10,14H,6-7H2,(H,24,26)
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850n/an/an/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


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


Eur J Med Chem 43: 2627-38 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.043
BindingDB Entry DOI: 10.7270/Q2ZS2W9S
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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930n/an/an/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 expressed in baculovirus system by radiometric assay


J Med Chem 52: 6546-57 (2009)


Article DOI: 10.1021/jm900977c
BindingDB Entry DOI: 10.7270/Q2N879VV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50247428
PNG
(5-(4-Bromophenyl)-N-cyclopropyl-1-(2,4-dichlorophe...)
Show SMILES Clc1ccc(c(Cl)c1)-n1ncc(C(=O)NC2CC2)c1-c1ccc(Br)cc1
Show InChI InChI=1S/C19H14BrCl2N3O/c20-12-3-1-11(2-4-12)18-15(19(26)24-14-6-7-14)10-23-25(18)17-8-5-13(21)9-16(17)22/h1-5,8-10,14H,6-7H2,(H,24,26)
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1.00E+3n/an/an/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


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


Eur J Med Chem 43: 2627-38 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.043
BindingDB Entry DOI: 10.7270/Q2ZS2W9S
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50247429
PNG
(5-(4-Bromophenyl)-N-cycloheptyl-1-(2,4-dichlorophe...)
Show SMILES Clc1ccc(c(Cl)c1)-n1ncc(C(=O)NC2CCCCCC2)c1-c1ccc(Br)cc1
Show InChI InChI=1S/C23H22BrCl2N3O/c24-16-9-7-15(8-10-16)22-19(23(30)28-18-5-3-1-2-4-6-18)14-27-29(22)21-12-11-17(25)13-20(21)26/h7-14,18H,1-6H2,(H,28,30)
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1.10E+3n/an/an/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


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


Eur J Med Chem 43: 2627-38 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.043
BindingDB Entry DOI: 10.7270/Q2ZS2W9S
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50247205
PNG
(CHEMBL516381 | N-Cycloheptyl-1-(2,4-dichlorophenyl...)
Show SMILES Clc1ccc(c(Cl)c1)-n1ncc(C(=O)NC2CCCCCC2)c1-c1ccc(I)cc1
Show InChI InChI=1S/C23H22Cl2IN3O/c24-16-9-12-21(20(25)13-16)29-22(15-7-10-17(26)11-8-15)19(14-27-29)23(30)28-18-5-3-1-2-4-6-18/h7-14,18H,1-6H2,(H,28,30)
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1.10E+3n/an/an/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


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


Eur J Med Chem 43: 2627-38 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.043
BindingDB Entry DOI: 10.7270/Q2ZS2W9S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50224376
PNG
(1-(2-chloro-2-phenylethyl)-N-(3-chlorophenyl)-6-(p...)
Show SMILES CCCSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:20.21|
Show InChI InChI=1S/C22H21Cl2N5S/c1-2-11-30-22-27-20(26-17-10-6-9-16(23)12-17)18-13-25-29(21(18)28-22)14-19(24)15-7-4-3-5-8-15/h3-10,12-13,19H,2,11,14H2,1H3,(H,26,27,28)
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1.20E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50224385
PNG
(1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenyl...)
Show SMILES CSc1nc(Nc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1S/C20H18ClN5S/c1-27-20-24-18(23-15-10-6-3-7-11-15)16-12-22-26(19(16)25-20)13-17(21)14-8-4-2-5-9-14/h2-12,17H,13H2,1H3,(H,23,24,25)
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1.20E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50247430
PNG
(1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-N-piperidi...)
Show SMILES Clc1ccc(c(Cl)c1)-n1ncc(C(=O)NN2CCCCC2)c1-c1ccc(I)cc1
Show InChI InChI=1S/C21H19Cl2IN4O/c22-15-6-9-19(18(23)12-15)28-20(14-4-7-16(24)8-5-14)17(13-25-28)21(29)26-27-10-2-1-3-11-27/h4-9,12-13H,1-3,10-11H2,(H,26,29)
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1.30E+3n/an/an/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


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


Eur J Med Chem 43: 2627-38 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.043
BindingDB Entry DOI: 10.7270/Q2ZS2W9S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354134
PNG
(CHEMBL1836188)
Show SMILES CCOC(=O)C(=C\c1cn(CCN2CCCCC2)c2ccccc12)\C(=O)c1ccccc1
Show InChI InChI=1S/C27H30N2O3/c1-2-32-27(31)24(26(30)21-11-5-3-6-12-21)19-22-20-29(25-14-8-7-13-23(22)25)18-17-28-15-9-4-10-16-28/h3,5-8,11-14,19-20H,2,4,9-10,15-18H2,1H3/b24-19+
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1.39E+3n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50224381
PNG
(1-(2-chloro-2-phenylethyl)-N-(3-fluorophenyl)-6-(m...)
Show SMILES CSc1nc(Nc2cccc(F)c2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1S/C20H17ClFN5S/c1-28-20-25-18(24-15-9-5-8-14(22)10-15)16-11-23-27(19(16)26-20)12-17(21)13-6-3-2-4-7-13/h2-11,17H,12H2,1H3,(H,24,25,26)
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1.40E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50299568
PNG
(3-(Cyclopentyloxy)-4-methoxybenzaldehyde O-[3-(2,6...)
Show SMILES COc1ccc(\C=N\OCC(O)CN2CC(C)OC(C)C2)cc1OC1CCCC1
Show InChI InChI=1S/C22H34N2O5/c1-16-12-24(13-17(2)28-16)14-19(25)15-27-23-11-18-8-9-21(26-3)22(10-18)29-20-6-4-5-7-20/h8-11,16-17,19-20,25H,4-7,12-15H2,1-3H3/b23-11+
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1.55E+3n/an/an/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D3 expressed in baculovirus system by radiometric assay


J Med Chem 52: 6546-57 (2009)


Article DOI: 10.1021/jm900977c
BindingDB Entry DOI: 10.7270/Q2N879VV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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1.58E+3n/an/an/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHO cells


Eur J Med Chem 43: 2627-38 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.043
BindingDB Entry DOI: 10.7270/Q2ZS2W9S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354136
PNG
(CHEMBL1836121)
Show SMILES CCOC(=O)C(=C\c1cn(CCN2CCOCC2)c2ccccc12)\C(=O)c1ccccc1
Show InChI InChI=1S/C26H28N2O4/c1-2-32-26(30)23(25(29)20-8-4-3-5-9-20)18-21-19-28(24-11-7-6-10-22(21)24)13-12-27-14-16-31-17-15-27/h3-11,18-19H,2,12-17H2,1H3/b23-18+
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1.58E+3n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50224388
PNG
(CHEMBL238561 | N-(3-bromophenyl)-1-(2-chloro-2-phe...)
Show SMILES CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:18.19|
Show InChI InChI=1S/C20H17BrClN5S/c1-28-20-25-18(24-15-9-5-8-14(21)10-15)16-11-23-27(19(16)26-20)12-17(22)13-6-3-2-4-7-13/h2-11,17H,12H2,1H3,(H,24,25,26)
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1.80E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50247430
PNG
(1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-N-piperidi...)
Show SMILES Clc1ccc(c(Cl)c1)-n1ncc(C(=O)NN2CCCCC2)c1-c1ccc(I)cc1
Show InChI InChI=1S/C21H19Cl2IN4O/c22-15-6-9-19(18(23)12-15)28-20(14-4-7-16(24)8-5-14)17(13-25-28)21(29)26-27-10-2-1-3-11-27/h4-9,12-13H,1-3,10-11H2,(H,26,29)
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1.90E+3n/an/an/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHO cells


Eur J Med Chem 43: 2627-38 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.043
BindingDB Entry DOI: 10.7270/Q2ZS2W9S
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50247416
PNG
(5-(4-Bromophenyl)-1-(2,4-dichlorophenyl)-N-(4-meth...)
Show SMILES CN1CCN(CC1)NC(=O)c1cnn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H20BrCl2N5O/c1-27-8-10-28(11-9-27)26-21(30)17-13-25-29(19-7-6-16(23)12-18(19)24)20(17)14-2-4-15(22)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,26,30)
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2.60E+3n/an/an/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


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


Eur J Med Chem 43: 2627-38 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.043
BindingDB Entry DOI: 10.7270/Q2ZS2W9S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50224383
PNG
(1-(2-chloro-2-(4-chlorophenyl)ethyl)-6-(methylthio...)
Show SMILES CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccc(Cl)cc3)c2n1 |w:19.20|
Show InChI InChI=1S/C22H21Cl2N5S/c1-30-22-27-20(25-12-11-15-5-3-2-4-6-15)18-13-26-29(21(18)28-22)14-19(24)16-7-9-17(23)10-8-16/h2-10,13,19H,11-12,14H2,1H3,(H,25,27,28)
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2.80E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50224374
PNG
(CHEMBL241749 | N-benzyl-1-(2-chloro-2-(4-chlorophe...)
Show SMILES CSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccc(Cl)cc3)c2n1 |w:18.19|
Show InChI InChI=1S/C21H19Cl2N5S/c1-29-21-26-19(24-11-14-5-3-2-4-6-14)17-12-25-28(20(17)27-21)13-18(23)15-7-9-16(22)10-8-15/h2-10,12,18H,11,13H2,1H3,(H,24,26,27)
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3.00E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50224387
PNG
(1-(2-chloro-2-phenylethyl)-N-(2-chlorobenzyl)-6-(m...)
Show SMILES CSc1nc(NCc2ccccc2Cl)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:19.20|
Show InChI InChI=1S/C21H19Cl2N5S/c1-29-21-26-19(24-11-15-9-5-6-10-17(15)22)16-12-25-28(20(16)27-21)13-18(23)14-7-3-2-4-8-14/h2-10,12,18H,11,13H2,1H3,(H,24,26,27)
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3.10E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50142885
PNG
(Benzyl-[1-(2-chloro-2-phenyl-ethyl)-6-methylsulfan...)
Show SMILES CSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1S/C21H20ClN5S/c1-28-21-25-19(23-12-15-8-4-2-5-9-15)17-13-24-27(20(17)26-21)14-18(22)16-10-6-3-7-11-16/h2-11,13,18H,12,14H2,1H3,(H,23,25,26)
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3.70E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50224366
PNG
(1-(2-chloro-2-phenylethyl)-N-(3-chlorophenyl)-1H-p...)
Show SMILES ClC(Cn1ncc2c(Nc3cccc(Cl)c3)ncnc12)c1ccccc1 |w:1.0|
Show InChI InChI=1S/C19H15Cl2N5/c20-14-7-4-8-15(9-14)25-18-16-10-24-26(19(16)23-12-22-18)11-17(21)13-5-2-1-3-6-13/h1-10,12,17H,11H2,(H,22,23,25)
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3.80E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50299568
PNG
(3-(Cyclopentyloxy)-4-methoxybenzaldehyde O-[3-(2,6...)
Show SMILES COc1ccc(\C=N\OCC(O)CN2CC(C)OC(C)C2)cc1OC1CCCC1
Show InChI InChI=1S/C22H34N2O5/c1-16-12-24(13-17(2)28-16)14-19(25)15-27-23-11-18-8-9-21(26-3)22(10-18)29-20-6-4-5-7-20/h8-11,16-17,19-20,25H,4-7,12-15H2,1-3H3/b23-11+
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3.86E+3n/an/an/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D1 expressed in baculovirus system by radiometric assay


J Med Chem 52: 6546-57 (2009)


Article DOI: 10.1021/jm900977c
BindingDB Entry DOI: 10.7270/Q2N879VV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50224386
PNG
(CHEMBL399813 | N-(4-methoxyphenethyl)-1-(2-chloro-...)
Show SMILES COc1ccc(CCNc2nc(SC)nc3n(CC(Cl)c4ccccc4)ncc23)cc1 |w:18.18|
Show InChI InChI=1S/C23H24ClN5OS/c1-30-18-10-8-16(9-11-18)12-13-25-21-19-14-26-29(22(19)28-23(27-21)31-2)15-20(24)17-6-4-3-5-7-17/h3-11,14,20H,12-13,15H2,1-2H3,(H,25,27,28)
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4.00E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50224367
PNG
(1-(2-chloro-2-phenylethyl)-N-(2-chlorophenethyl)-6...)
Show SMILES CSc1nc(NCCc2ccccc2Cl)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:20.21|
Show InChI InChI=1S/C22H21Cl2N5S/c1-30-22-27-20(25-12-11-16-9-5-6-10-18(16)23)17-13-26-29(21(17)28-22)14-19(24)15-7-3-2-4-8-15/h2-10,13,19H,11-12,14H2,1H3,(H,25,27,28)
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4.00E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50224382
PNG
(CHEMBL399627 | N-(3-bromophenyl)-1-(2-chloro-2-(4-...)
Show SMILES CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(Cl)c3ccc(F)cc3)c2n1 |w:18.19|
Show InChI InChI=1S/C20H16BrClFN5S/c1-29-20-26-18(25-15-4-2-3-13(21)9-15)16-10-24-28(19(16)27-20)11-17(22)12-5-7-14(23)8-6-12/h2-10,17H,11H2,1H3,(H,25,26,27)
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4.10E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50224372
PNG
(1-(2-chloro-2-phenylethyl)-N-(4-fluorobenzyl)-6-(m...)
Show SMILES CSc1nc(NCc2ccc(F)cc2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:19.20|
Show InChI InChI=1S/C21H19ClFN5S/c1-29-21-26-19(24-11-14-7-9-16(23)10-8-14)17-12-25-28(20(17)27-21)13-18(22)15-5-3-2-4-6-15/h2-10,12,18H,11,13H2,1H3,(H,24,26,27)
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4.60E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50224384
PNG
(1-(2-chloro-2-phenylethyl)-N-(3-fluorobenzyl)-6-(m...)
Show SMILES CSc1nc(NCc2cccc(F)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:19.20|
Show InChI InChI=1S/C21H19ClFN5S/c1-29-21-26-19(24-11-14-6-5-9-16(23)10-14)17-12-25-28(20(17)27-21)13-18(22)15-7-3-2-4-8-15/h2-10,12,18H,11,13H2,1H3,(H,24,26,27)
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5.20E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50224380
PNG
(1-(2-chloro-2-phenylethyl)-N-(3-chlorophenethyl)-6...)
Show SMILES CSc1nc(NCCc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:20.21|
Show InChI InChI=1S/C22H21Cl2N5S/c1-30-22-27-20(25-11-10-15-6-5-9-17(23)12-15)18-13-26-29(21(18)28-22)14-19(24)16-7-3-2-4-8-16/h2-9,12-13,19H,10-11,14H2,1H3,(H,25,27,28)
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6.00E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50224369
PNG
(1-(2-chloro-2-phenylethyl)-6-(ethylthio)-N-pheneth...)
Show SMILES CCSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:20.21|
Show InChI InChI=1S/C23H24ClN5S/c1-2-30-23-27-21(25-14-13-17-9-5-3-6-10-17)19-15-26-29(22(19)28-23)16-20(24)18-11-7-4-8-12-18/h3-12,15,20H,2,13-14,16H2,1H3,(H,25,27,28)
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7.50E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50299568
PNG
(3-(Cyclopentyloxy)-4-methoxybenzaldehyde O-[3-(2,6...)
Show SMILES COc1ccc(\C=N\OCC(O)CN2CC(C)OC(C)C2)cc1OC1CCCC1
Show InChI InChI=1S/C22H34N2O5/c1-16-12-24(13-17(2)28-16)14-19(25)15-27-23-11-18-8-9-21(26-3)22(10-18)29-20-6-4-5-7-20/h8-11,16-17,19-20,25H,4-7,12-15H2,1-3H3/b23-11+
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9.18E+3n/an/an/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 expressed in baculovirus system by radiometric assay


J Med Chem 52: 6546-57 (2009)


Article DOI: 10.1021/jm900977c
BindingDB Entry DOI: 10.7270/Q2N879VV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354134
PNG
(CHEMBL1836188)
Show SMILES CCOC(=O)C(=C\c1cn(CCN2CCCCC2)c2ccccc12)\C(=O)c1ccccc1
Show InChI InChI=1S/C27H30N2O3/c1-2-32-27(31)24(26(30)21-11-5-3-6-12-21)19-22-20-29(25-14-8-7-13-23(22)25)18-17-28-15-9-4-10-16-28/h3,5-8,11-14,19-20H,2,4,9-10,15-18H2,1H3/b24-19+
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354136
PNG
(CHEMBL1836121)
Show SMILES CCOC(=O)C(=C\c1cn(CCN2CCOCC2)c2ccccc12)\C(=O)c1ccccc1
Show InChI InChI=1S/C26H28N2O4/c1-2-32-26(30)23(25(29)20-8-4-3-5-9-20)18-21-19-28(24-11-7-6-10-22(21)24)13-12-27-14-16-31-17-15-27/h3-11,18-19H,2,12-17H2,1H3/b23-18+
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50224373
PNG
(1-(2-chloro-2-phenylethyl)-N-(3-fluorophenethyl)-6...)
Show SMILES CSc1nc(NCCc2cccc(F)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:20.21|
Show InChI InChI=1S/C22H21ClFN5S/c1-30-22-27-20(25-11-10-15-6-5-9-17(24)12-15)18-13-26-29(21(18)28-22)14-19(23)16-7-3-2-4-8-16/h2-9,12-13,19H,10-11,14H2,1H3,(H,25,27,28)
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1.30E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50224379
PNG
(1-(2-chloro-2-phenylethyl)-N-(4-methylphenethyl)-6...)
Show SMILES CSc1nc(NCCc2ccc(C)cc2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:20.21|
Show InChI InChI=1S/C23H24ClN5S/c1-16-8-10-17(11-9-16)12-13-25-21-19-14-26-29(22(19)28-23(27-21)30-2)15-20(24)18-6-4-3-5-7-18/h3-11,14,20H,12-13,15H2,1-2H3,(H,25,27,28)
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1.50E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50247390
PNG
(5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-met...)
Show SMILES CN1CCN(CC1)NC(=O)c1cnn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H20Cl3N5O/c1-27-8-10-28(11-9-27)26-21(30)17-13-25-29(19-7-6-16(23)12-18(19)24)20(17)14-2-4-15(22)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,26,30)
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1.60E+4n/an/an/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


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


Eur J Med Chem 43: 2627-38 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.043
BindingDB Entry DOI: 10.7270/Q2ZS2W9S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50224377
PNG
(1-(2-chloro-2-phenylethyl)-N-(2-fluorobenzyl)-6-(m...)
Show SMILES CSc1nc(NCc2ccccc2F)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:19.20|
Show InChI InChI=1S/C21H19ClFN5S/c1-29-21-26-19(24-11-15-9-5-6-10-18(15)23)16-12-25-28(20(16)27-21)13-17(22)14-7-3-2-4-8-14/h2-10,12,17H,11,13H2,1H3,(H,24,26,27)
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2.10E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50247415
PNG
(5-(4-Chlorophenyl)-N-cyclopropyl-1-(2,4-dichloroph...)
Show SMILES Clc1ccc(cc1)-c1c(cnn1-c1ccc(Cl)cc1Cl)C(=O)NC1CC1
Show InChI InChI=1S/C19H14Cl3N3O/c20-12-3-1-11(2-4-12)18-15(19(26)24-14-6-7-14)10-23-25(18)17-8-5-13(21)9-16(17)22/h1-5,8-10,14H,6-7H2,(H,24,26)
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2.10E+4n/an/an/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHO cells


Eur J Med Chem 43: 2627-38 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.043
BindingDB Entry DOI: 10.7270/Q2ZS2W9S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50224378
PNG
(CHEMBL239192 | N-(4-chlorobenzyl)-1-(2-chloro-2-ph...)
Show SMILES CSc1nc(NCc2ccc(Cl)cc2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:19.20|
Show InChI InChI=1S/C21H19Cl2N5S/c1-29-21-26-19(24-11-14-7-9-16(22)10-8-14)17-12-25-28(20(17)27-21)13-18(23)15-5-3-2-4-6-15/h2-10,12,18H,11,13H2,1H3,(H,24,26,27)
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2.40E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50224375
PNG
(CHEMBL401038 | N-(4-chlorophenethyl)-7-(2-chloro-2...)
Show SMILES CSc1nc(NCCc2ccc(Cl)cc2)c2ccn(CC(Cl)c3ccccc3)c2n1 |w:20.21|
Show InChI InChI=1S/C23H22Cl2N4S/c1-30-23-27-21(26-13-11-16-7-9-18(24)10-8-16)19-12-14-29(22(19)28-23)15-20(25)17-5-3-2-4-6-17/h2-10,12,14,20H,11,13,15H2,1H3,(H,26,27,28)
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2.50E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
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