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Compile Data Set for Download or QSAR

Found 160 hits with Last Name = 'balaux' and Initial = 'e'   
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))
BDBM50244317
PNG
(2-(4-ethoxybenzyl)-1-(cyclopentylmethyl)-N,N-dieth...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CCCC2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C27H35N3O2/c1-4-29(5-2)27(31)22-13-16-25-24(18-22)28-26(30(25)19-21-9-7-8-10-21)17-20-11-14-23(15-12-20)32-6-3/h11-16,18,21H,4-10,17,19H2,1-3H3
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1n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50085448
PNG
((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C22H27N5O2/c23-18(13-15-5-2-1-3-6-15)22(29)27-12-4-7-19(27)21(28)26-14-16-8-10-17(11-9-16)20(24)25/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H3,24,25)(H,26,28)/t18-,19+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against Prothrombin


Bioorg Med Chem Lett 10: 243-7 (2000)


Article DOI: 10.1016/s0960-894x(99)00669-1
BindingDB Entry DOI: 10.7270/Q2K9381W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244316
PNG
(2-(4-ethoxybenzyl)-1-(cyclobutylmethyl)-N,N-diethy...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CCC2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C26H33N3O2/c1-4-28(5-2)26(30)21-12-15-24-23(17-21)27-25(29(24)18-20-8-7-9-20)16-19-10-13-22(14-11-19)31-6-3/h10-15,17,20H,4-9,16,18H2,1-3H3
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1.60n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244060
PNG
(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-N,N-dipro...)
Show SMILES CCCN(CCC)C(=O)c1ccc2n(CC3CC3)c(Cc3ccc(OCC)cc3)nc2c1
Show InChI InChI=1S/C27H35N3O2/c1-4-15-29(16-5-2)27(31)22-11-14-25-24(18-22)28-26(30(25)19-21-7-8-21)17-20-9-12-23(13-10-20)32-6-3/h9-14,18,21H,4-8,15-17,19H2,1-3H3
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2.80n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244319
PNG
(1-adamantan-1-ylmethyl-2-(4-ethoxy-benzyl)-1H-benz...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC23CC4CC(CC(C4)C2)C3)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C32H41N3O2/c1-4-34(5-2)31(36)26-9-12-29-28(17-26)33-30(16-22-7-10-27(11-8-22)37-6-3)35(29)21-32-18-23-13-24(19-32)15-25(14-23)20-32/h7-12,17,23-25H,4-6,13-16,18-21H2,1-3H3
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2.80n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/s2
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2.90n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244318
PNG
(2-(4-ethoxybenzyl)-1-(cyclohexylmethyl)-N,N-diethy...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CCCCC2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C28H37N3O2/c1-4-30(5-2)28(32)23-14-17-26-25(19-23)29-27(31(26)20-22-10-8-7-9-11-22)18-21-12-15-24(16-13-21)33-6-3/h12-17,19,22H,4-11,18,20H2,1-3H3
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3.70n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50243706
PNG
(2-(4-ethoxybenzyl)-N,N-diethyl-1-((tetrahydro-2H-p...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CCOCC2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C27H35N3O3/c1-4-29(5-2)27(31)22-9-12-25-24(18-22)28-26(30(25)19-21-13-15-32-16-14-21)17-20-7-10-23(11-8-20)33-6-3/h7-12,18,21H,4-6,13-17,19H2,1-3H3
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3.90n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244140
PNG
(CHEMBL517283 | N-(2-(4-ethoxybenzyl)-1-(cyclopropy...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(=O)CC(C)C)cc1
Show InChI InChI=1S/C26H33N3O2/c1-5-31-22-11-8-19(9-12-22)15-25-27-23-16-21(28(4)26(30)14-18(2)3)10-13-24(23)29(25)17-20-6-7-20/h8-13,16,18,20H,5-7,14-15,17H2,1-4H3
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4n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244214
PNG
(CHEMBL458142 | N-(2-(4-ethoxybenzyl)-1-(cyclopropy...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C27H34N4O2/c1-3-33-23-12-9-20(10-13-23)17-26-28-24-18-22(11-14-25(24)31(26)19-21-7-8-21)29(2)27(32)30-15-5-4-6-16-30/h9-14,18,21H,3-8,15-17,19H2,1-2H3
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4n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244277
PNG
(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-N,N-dieth...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C25H31N3O2/c1-4-27(5-2)25(29)20-11-14-23-22(16-20)26-24(28(23)17-19-7-8-19)15-18-9-12-21(13-10-18)30-6-3/h9-14,16,19H,4-8,15,17H2,1-3H3
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4.10n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244276
PNG
(2-(4-ethoxybenzyl)-N,N-diethyl-1-isopentyl-1H-benz...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C26H35N3O2/c1-6-28(7-2)26(30)21-11-14-24-23(18-21)27-25(29(24)16-15-19(4)5)17-20-9-12-22(13-10-20)31-8-3/h9-14,18-19H,6-8,15-17H2,1-5H3
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4.5n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50243961
PNG
(2-(4-isopropoxybenzyl)-N,N-diethyl-1-isopentyl-1H-...)
Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OC(C)C)cc3)nc2c1
Show InChI InChI=1S/C27H37N3O2/c1-7-29(8-2)27(31)22-11-14-25-24(18-22)28-26(30(25)16-15-19(3)4)17-21-9-12-23(13-10-21)32-20(5)6/h9-14,18-20H,7-8,15-17H2,1-6H3
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4.5n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244010
PNG
(2-(4-phenoxybenzyl)-N,N-diethyl-1-isopentyl-1H-ben...)
Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(Oc4ccccc4)cc3)nc2c1
Show InChI InChI=1S/C30H35N3O2/c1-5-32(6-2)30(34)24-14-17-28-27(21-24)31-29(33(28)19-18-22(3)4)20-23-12-15-26(16-13-23)35-25-10-8-7-9-11-25/h7-17,21-22H,5-6,18-20H2,1-4H3
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4.90n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244178
PNG
(CHEMBL518206 | N-(2-(4-ethoxybenzyl)-1-(cyclopropy...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(=O)c2cccs2)cc1
Show InChI InChI=1S/C26H27N3O2S/c1-3-31-21-11-8-18(9-12-21)15-25-27-22-16-20(28(2)26(30)24-5-4-14-32-24)10-13-23(22)29(25)17-19-6-7-19/h4-5,8-14,16,19H,3,6-7,15,17H2,1-2H3
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5n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244098
PNG
(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-N,N-bis(2...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)C(=O)N(CC(F)(F)F)CC(F)(F)F)cc1
Show InChI InChI=1S/C25H25F6N3O2/c1-2-36-19-8-5-16(6-9-19)11-22-32-20-12-18(7-10-21(20)34(22)13-17-3-4-17)23(35)33(14-24(26,27)28)15-25(29,30)31/h5-10,12,17H,2-4,11,13-15H2,1H3
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5.60n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244181
PNG
(1-(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-1H-ben...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(=O)NC(C)C)cc1
Show InChI InChI=1S/C25H32N4O2/c1-5-31-21-11-8-18(9-12-21)14-24-27-22-15-20(28(4)25(30)26-17(2)3)10-13-23(22)29(24)16-19-6-7-19/h8-13,15,17,19H,5-7,14,16H2,1-4H3,(H,26,30)
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5.70n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244180
PNG
(1-(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-1H-ben...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C26H34N4O2/c1-5-29(6-2)26(31)28(4)21-12-15-24-23(17-21)27-25(30(24)18-20-8-9-20)16-19-10-13-22(14-11-19)32-7-3/h10-15,17,20H,5-9,16,18H2,1-4H3
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5.90n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244096
PNG
((2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-1H-benzo...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C26H31N3O2/c1-2-31-22-11-8-19(9-12-22)16-25-27-23-17-21(26(30)28-14-4-3-5-15-28)10-13-24(23)29(25)18-20-6-7-20/h8-13,17,20H,2-7,14-16,18H2,1H3
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6.90n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244059
PNG
(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-N-methyl-...)
Show SMILES CCCN(C)C(=O)c1ccc2n(CC3CC3)c(Cc3ccc(OCC)cc3)nc2c1
Show InChI InChI=1S/C25H31N3O2/c1-4-14-27(3)25(29)20-10-13-23-22(16-20)26-24(28(23)17-19-6-7-19)15-18-8-11-21(12-9-18)30-5-2/h8-13,16,19H,4-7,14-15,17H2,1-3H3
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7.60n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50243861
PNG
((R)-2-(4-ethoxybenzyl)-N,N-diethyl-1-((1-methylpip...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2C[C@H]2CCCCN2C)C(=O)N(CC)CC)cc1
Show InChI InChI=1/C28H38N4O2/c1-5-31(6-2)28(33)22-13-16-26-25(19-22)29-27(18-21-11-14-24(15-12-21)34-7-3)32(26)20-23-10-8-9-17-30(23)4/h11-16,19,23H,5-10,17-18,20H2,1-4H3/t23-/s2
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8.90n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50085451
PNG
((3S,6R,8aS)-6-Benzyl-6-hydroxy-5-oxo-octahydro-ind...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CC[C@H]3CC[C@@](O)(Cc4ccccc4)C(=O)N23)cc1
Show InChI InChI=1S/C24H28N4O3/c25-21(26)18-8-6-17(7-9-18)15-27-22(29)20-11-10-19-12-13-24(31,23(30)28(19)20)14-16-4-2-1-3-5-16/h1-9,19-20,31H,10-15H2,(H3,25,26)(H,27,29)/t19-,20-,24+/m0/s1
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9n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against Prothrombin


Bioorg Med Chem Lett 10: 243-7 (2000)


Article DOI: 10.1016/s0960-894x(99)00669-1
BindingDB Entry DOI: 10.7270/Q2K9381W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50243705
PNG
(2-(4-ethoxybenzyl)-N,N-diethyl-1-(furan-2-ylmethyl...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2Cc2ccco2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C26H29N3O3/c1-4-28(5-2)26(30)20-11-14-24-23(17-20)27-25(29(24)18-22-8-7-15-32-22)16-19-9-12-21(13-10-19)31-6-3/h7-15,17H,4-6,16,18H2,1-3H3
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11n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244097
PNG
(2-(4-ethoxybenzyl)-N-cyclohexyl-1-(cyclopropylmeth...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)C(=O)N(C)C2CCCCC2)cc1
Show InChI InChI=1S/C28H35N3O2/c1-3-33-24-14-11-20(12-15-24)17-27-29-25-18-22(13-16-26(25)31(27)19-21-9-10-21)28(32)30(2)23-7-5-4-6-8-23/h11-16,18,21,23H,3-10,17,19H2,1-2H3
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11n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244351
PNG
(2-(4-ethoxybenzyl)-1-benzyl-N,N-diethyl-1H-benzo[d...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2Cc2ccccc2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C28H31N3O2/c1-4-30(5-2)28(32)23-14-17-26-25(19-23)29-27(31(26)20-22-10-8-7-9-11-22)18-21-12-15-24(16-13-21)33-6-3/h7-17,19H,4-6,18,20H2,1-3H3
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12n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50243862
PNG
((S)-2-(4-ethoxybenzyl)-N,N-diethyl-1-((1-methylpyr...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2C[C@@H]2CCCN2C)C(=O)N(CC)CC)cc1
Show InChI InChI=1/C27H36N4O2/c1-5-30(6-2)27(32)21-12-15-25-24(18-21)28-26(31(25)19-22-9-8-16-29(22)4)17-20-10-13-23(14-11-20)33-7-3/h10-15,18,22H,5-9,16-17,19H2,1-4H3/t22-/s2
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12n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244061
PNG
((2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-1H-benzo...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)C(=O)N2CCCC2)cc1
Show InChI InChI=1S/C25H29N3O2/c1-2-30-21-10-7-18(8-11-21)15-24-26-22-16-20(25(29)27-13-3-4-14-27)9-12-23(22)28(24)17-19-5-6-19/h7-12,16,19H,2-6,13-15,17H2,1H3
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14n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50243707
PNG
((S)-2-(4-ethoxybenzyl)-N,N-diethyl-1-((tetrahydrof...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2C[C@@H]2CCCO2)C(=O)N(CC)CC)cc1
Show InChI InChI=1/C26H33N3O3/c1-4-28(5-2)26(30)20-11-14-24-23(17-20)27-25(29(24)18-22-8-7-15-32-22)16-19-9-12-21(13-10-19)31-6-3/h9-14,17,22H,4-8,15-16,18H2,1-3H3/t22-/s2
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15n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244353
PNG
(2-(4-ethoxybenzyl)-N,N-diethyl-1-(pyridin-4-ylmeth...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2Cc2ccncc2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C27H30N4O2/c1-4-30(5-2)27(32)22-9-12-25-24(18-22)29-26(31(25)19-21-13-15-28-16-14-21)17-20-7-10-23(11-8-20)33-6-3/h7-16,18H,4-6,17,19H2,1-3H3
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16n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50243913
PNG
(2-(4-methoxybenzyl)-N,N-diethyl-1-isopentyl-1H-ben...)
Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OC)cc3)nc2c1
Show InChI InChI=1S/C25H33N3O2/c1-6-27(7-2)25(29)20-10-13-23-22(17-20)26-24(28(23)15-14-18(3)4)16-19-8-11-21(30-5)12-9-19/h8-13,17-18H,6-7,14-16H2,1-5H3
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17n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23
Show InChI InChI=1/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/s2
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20n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50243708
PNG
((R)-2-(4-ethoxybenzyl)-N,N-diethyl-1-((tetrahydrof...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2C[C@H]2CCCO2)C(=O)N(CC)CC)cc1
Show InChI InChI=1/C26H33N3O3/c1-4-28(5-2)26(30)20-11-14-24-23(17-20)27-25(29(24)18-22-8-7-15-32-22)16-19-9-12-21(13-10-19)31-6-3/h9-14,17,22H,4-8,15-16,18H2,1-3H3/t22-/s2
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23n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244007
PNG
(2-(4-(trifluoromethoxy)benzyl)-N,N-diethyl-1-isope...)
Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OC(F)(F)F)cc3)nc2c1
Show InChI InChI=1S/C25H30F3N3O2/c1-5-30(6-2)24(32)19-9-12-22-21(16-19)29-23(31(22)14-13-17(3)4)15-18-7-10-20(11-8-18)33-25(26,27)28/h7-12,16-17H,5-6,13-15H2,1-4H3
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25n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244099
PNG
(1-(cyclopropylmethyl)-2-((5-ethoxypyridin-2-yl)met...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)C(=O)N(CC)CC)nc1
Show InChI InChI=1S/C24H30N4O2/c1-4-27(5-2)24(29)18-9-12-22-21(13-18)26-23(28(22)16-17-7-8-17)14-19-10-11-20(15-25-19)30-6-3/h9-13,15,17H,4-8,14,16H2,1-3H3
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27n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50243860
PNG
((R)-2-(4-ethoxybenzyl)-N,N-diethyl-1-(piperidin-2-...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2C[C@H]2CCCCN2)C(=O)N(CC)CC)cc1
Show InChI InChI=1/C27H36N4O2/c1-4-30(5-2)27(32)21-12-15-25-24(18-21)29-26(31(25)19-22-9-7-8-16-28-22)17-20-10-13-23(14-11-20)33-6-3/h10-15,18,22,28H,4-9,16-17,19H2,1-3H3/t22-/s2
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35n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50243910
PNG
(2-(4-ethoxybenzoyl)-N,N-diethyl-1-isopentyl-1H-ben...)
Show SMILES CCOc1ccc(cc1)C(=O)c1nc2cc(ccc2n1CCC(C)C)C(=O)N(CC)CC
Show InChI InChI=1S/C26H33N3O3/c1-6-28(7-2)26(31)20-11-14-23-22(17-20)27-25(29(23)16-15-18(4)5)24(30)19-9-12-21(13-10-19)32-8-3/h9-14,17-18H,6-8,15-16H2,1-5H3
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35n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244215
PNG
(2-(4-ethoxybenzyl)-1-(2-(dimethylamino)ethyl)-N,N-...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(C)C)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C25H34N4O2/c1-6-28(7-2)25(30)20-11-14-23-22(18-20)26-24(29(23)16-15-27(4)5)17-19-9-12-21(13-10-19)31-8-3/h9-14,18H,6-8,15-17H2,1-5H3
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36n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244352
PNG
(2-(4-ethoxybenzyl)-N,N-diethyl-1-(pyridin-2-ylmeth...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2Cc2ccccn2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C27H30N4O2/c1-4-30(5-2)27(32)21-12-15-25-24(18-21)29-26(31(25)19-22-9-7-8-16-28-22)17-20-10-13-23(14-11-20)33-6-3/h7-16,18H,4-6,17,19H2,1-3H3
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39n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/s2
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41n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244179
PNG
(1-(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-1H-ben...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(=O)N(C)C)cc1
Show InChI InChI=1S/C24H30N4O2/c1-5-30-20-11-8-17(9-12-20)14-23-25-21-15-19(27(4)24(29)26(2)3)10-13-22(21)28(23)16-18-6-7-18/h8-13,15,18H,5-7,14,16H2,1-4H3
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41n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50243963
PNG
(2-(4-(cyclopentyloxy)benzyl)-N,N-diethyl-1-isopent...)
Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OC4CCCC4)cc3)nc2c1
Show InChI InChI=1S/C29H39N3O2/c1-5-31(6-2)29(33)23-13-16-27-26(20-23)30-28(32(27)18-17-21(3)4)19-22-11-14-25(15-12-22)34-24-9-7-8-10-24/h11-16,20-21,24H,5-10,17-19H2,1-4H3
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43n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50243962
PNG
(2-(4-cyclobutoxybenzyl)-N,N-diethyl-1-isopentyl-1H...)
Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OC4CCC4)cc3)nc2c1
Show InChI InChI=1S/C28H37N3O2/c1-5-30(6-2)28(32)22-12-15-26-25(19-22)29-27(31(26)17-16-20(3)4)18-21-10-13-24(14-11-21)33-23-8-7-9-23/h10-15,19-20,23H,5-9,16-18H2,1-4H3
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44n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244009
PNG
(2-(4-(cyclopropylmethoxy)benzyl)-N,N-diethyl-1-iso...)
Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OCC4CC4)cc3)nc2c1
Show InChI InChI=1S/C28H37N3O2/c1-5-30(6-2)28(32)23-11-14-26-25(18-23)29-27(31(26)16-15-20(3)4)17-21-9-12-24(13-10-21)33-19-22-7-8-22/h9-14,18,20,22H,5-8,15-17,19H2,1-4H3
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53n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50243911
PNG
(2-((4-ethoxyphenyl)(hydroxy)methyl)-N,N-diethyl-1-...)
Show SMILES CCOc1ccc(cc1)C(O)c1nc2cc(ccc2n1CCC(C)C)C(=O)N(CC)CC
Show InChI InChI=1/C26H35N3O3/c1-6-28(7-2)26(31)20-11-14-23-22(17-20)27-25(29(23)16-15-18(4)5)24(30)19-9-12-21(13-10-19)32-8-3/h9-14,17-18,24,30H,6-8,15-16H2,1-5H3
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57n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244008
PNG
(2-(4-(2,2,2-trifluoroethoxy)benzyl)-N,N-diethyl-1-...)
Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OCC(F)(F)F)cc3)nc2c1
Show InChI InChI=1S/C26H32F3N3O2/c1-5-31(6-2)25(33)20-9-12-23-22(16-20)30-24(32(23)14-13-18(3)4)15-19-7-10-21(11-8-19)34-17-26(27,28)29/h7-12,16,18H,5-6,13-15,17H2,1-4H3
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57n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244057
PNG
(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-N-ethyl-1...)
Show SMILES CCNC(=O)c1ccc2n(CC3CC3)c(Cc3ccc(OCC)cc3)nc2c1
Show InChI InChI=1S/C23H27N3O2/c1-3-24-23(27)18-9-12-21-20(14-18)25-22(26(21)15-17-5-6-17)13-16-7-10-19(11-8-16)28-4-2/h7-12,14,17H,3-6,13,15H2,1-2H3,(H,24,27)
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63n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50243859
PNG
((S)-2-(4-ethoxybenzyl)-N,N-diethyl-1-(piperidin-2-...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2C[C@@H]2CCCCN2)C(=O)N(CC)CC)cc1
Show InChI InChI=1/C27H36N4O2/c1-4-30(5-2)27(32)21-12-15-25-24(18-21)29-26(31(25)19-22-9-7-8-16-28-22)17-20-10-13-23(14-11-20)33-6-3/h10-15,18,22,28H,4-9,16-17,19H2,1-3H3/t22-/s2
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75n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244318
PNG
(2-(4-ethoxybenzyl)-1-(cyclohexylmethyl)-N,N-diethy...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CCCCC2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C28H37N3O2/c1-4-30(5-2)28(32)23-14-17-26-25(19-23)29-27(31(26)20-22-10-8-7-9-11-22)18-21-12-15-24(16-13-21)33-6-3/h12-17,19,22H,4-11,18,20H2,1-3H3
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110n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50085450
PNG
((3S,6S,8aS)-6-Hydroxy-6-methyl-5-oxo-octahydro-ind...)
Show SMILES C[C@]1(O)CC[C@@H]2CC[C@H](N2C1=O)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C18H24N4O3/c1-18(25)9-8-13-6-7-14(22(13)17(18)24)16(23)21-10-11-2-4-12(5-3-11)15(19)20/h2-5,13-14,25H,6-10H2,1H3,(H3,19,20)(H,21,23)/t13-,14-,18-/m0/s1
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125n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against Prothrombin


Bioorg Med Chem Lett 10: 243-7 (2000)


Article DOI: 10.1016/s0960-894x(99)00669-1
BindingDB Entry DOI: 10.7270/Q2K9381W
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50085449
PNG
((3S,6S,8S,8aS)-6-Benzyl-6-hydroxy-8-methoxy-5-oxo-...)
Show SMILES CO[C@H]1C[C@@](O)(Cc2ccccc2)C(=O)N2[C@H]1CC[C@H]2C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C25H30N4O4/c1-33-21-14-25(32,13-16-5-3-2-4-6-16)24(31)29-19(21)11-12-20(29)23(30)28-15-17-7-9-18(10-8-17)22(26)27/h2-10,19-21,32H,11-15H2,1H3,(H3,26,27)(H,28,30)/t19-,20-,21-,25-/m0/s1
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125n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Concentration required for 50 percent inhibition of Prothrombin


Bioorg Med Chem Lett 10: 243-7 (2000)


Article DOI: 10.1016/s0960-894x(99)00669-1
BindingDB Entry DOI: 10.7270/Q2K9381W
More data for this
Ligand-Target Pair
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