Found 17 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50021278 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222786
((4-(ethylsulfonyl)-2-(tetrahydro-2H-pyran-2-yl)-1,...)Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCCO1 |w:26.29| Show InChI InChI=1S/C24H33N3O4S/c1-3-32(29,30)27-21-8-7-18(24(28)25-11-9-17(2)10-12-25)14-19(21)20-15-26(16-22(20)27)23-6-4-5-13-31-23/h7-8,14,17,23H,3-6,9-13,15-16H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Agonist activity at human CB2 receptor by GTPgamma[35S] assay |
Bioorg Med Chem Lett 17: 6183-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.019 BindingDB Entry DOI: 10.7270/Q2TH8MD3 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222800
((2-allyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydropyrro...)Show SMILES CCS(=O)(=O)n1c2CN(CC=C)Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1 Show InChI InChI=1S/C22H29N3O3S/c1-4-10-23-14-19-18-13-17(22(26)24-11-8-16(3)9-12-24)6-7-20(18)25(21(19)15-23)29(27,28)5-2/h4,6-7,13,16H,1,5,8-12,14-15H2,2-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Agonist activity at human CB2 receptor by GTPgamma[35S] assay |
Bioorg Med Chem Lett 17: 6183-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.019 BindingDB Entry DOI: 10.7270/Q2TH8MD3 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222797
((2-cyclopentyl-4-(methylsulfonyl)-1,2,3,4-tetrahyd...)Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(c3CN(Cc3c2c1)C1CCCC1)S(C)(=O)=O Show InChI InChI=1S/C23H31N3O3S/c1-16-9-11-24(12-10-16)23(27)17-7-8-21-19(13-17)20-14-25(18-5-3-4-6-18)15-22(20)26(21)30(2,28)29/h7-8,13,16,18H,3-6,9-12,14-15H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Agonist activity at human CB2 receptor by GTPgamma[35S] assay |
Bioorg Med Chem Lett 17: 6183-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.019 BindingDB Entry DOI: 10.7270/Q2TH8MD3 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222805
((2-cyclopentyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydr...)Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCC1 Show InChI InChI=1S/C24H33N3O3S/c1-3-31(29,30)27-22-9-8-18(24(28)25-12-10-17(2)11-13-25)14-20(22)21-15-26(16-23(21)27)19-6-4-5-7-19/h8-9,14,17,19H,3-7,10-13,15-16H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Agonist activity at human CB2 receptor by GTPgamma[35S] assay |
Bioorg Med Chem Lett 17: 6183-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.019 BindingDB Entry DOI: 10.7270/Q2TH8MD3 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222804
((2-(cyclopropylmethyl)-4-(ethylsulfonyl)-1,2,3,4-t...)Show SMILES CCS(=O)(=O)n1c2CN(CC3CC3)Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1 Show InChI InChI=1S/C23H31N3O3S/c1-3-30(28,29)26-21-7-6-18(23(27)25-10-8-16(2)9-11-25)12-19(21)20-14-24(15-22(20)26)13-17-4-5-17/h6-7,12,16-17H,3-5,8-11,13-15H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Agonist activity at human CB2 receptor by GTPgamma[35S] assay |
Bioorg Med Chem Lett 17: 6183-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.019 BindingDB Entry DOI: 10.7270/Q2TH8MD3 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222787
((4bR,8aR)-6,9,9-trimethyl-2-pentyl-4b,7,8,8a,9,10-...)Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Cc2c1 |t:11| Show InChI InChI=1S/C22H32O/c1-5-6-7-8-16-12-17-14-22(3,4)19-10-9-15(2)11-18(19)21(17)20(23)13-16/h11-13,18-19,23H,5-10,14H2,1-4H3/t18-,19-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 13.5 | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Agonist activity at human CB2 receptor by GTPgamma[35S] assay |
Bioorg Med Chem Lett 17: 6183-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.019 BindingDB Entry DOI: 10.7270/Q2TH8MD3 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222795
((2-cyclopentyl-4-(propylsulfonyl)-1,2,3,4-tetrahyd...)Show SMILES CCCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCC1 Show InChI InChI=1S/C25H35N3O3S/c1-3-14-32(30,31)28-23-9-8-19(25(29)26-12-10-18(2)11-13-26)15-21(23)22-16-27(17-24(22)28)20-6-4-5-7-20/h8-9,15,18,20H,3-7,10-14,16-17H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 6.70 | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Agonist activity at human CB2 receptor by GTPgamma[35S] assay |
Bioorg Med Chem Lett 17: 6183-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.019 BindingDB Entry DOI: 10.7270/Q2TH8MD3 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/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-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Agonist activity at human CB2 receptor by GTPgamma[35S] assay |
Bioorg Med Chem Lett 17: 6183-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.019 BindingDB Entry DOI: 10.7270/Q2TH8MD3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222793
((4-(ethylsulfonyl)-2-propyl-1,2,3,4-tetrahydropyrr...)Show SMILES CCCN1Cc2c(C1)c1cc(ccc1n2S(=O)(=O)CC)C(=O)N1CCC(C)CC1 Show InChI InChI=1S/C22H31N3O3S/c1-4-10-23-14-19-18-13-17(22(26)24-11-8-16(3)9-12-24)6-7-20(18)25(21(19)15-23)29(27,28)5-2/h6-7,13,16H,4-5,8-12,14-15H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Agonist activity at human CB2 receptor by GTPgamma[35S] assay |
Bioorg Med Chem Lett 17: 6183-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.019 BindingDB Entry DOI: 10.7270/Q2TH8MD3 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222798
((2-cyclopentyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydr...)Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCCCC1)C1CCCC1 Show InChI InChI=1S/C23H31N3O3S/c1-2-30(28,29)26-21-11-10-17(23(27)24-12-6-3-7-13-24)14-19(21)20-15-25(16-22(20)26)18-8-4-5-9-18/h10-11,14,18H,2-9,12-13,15-16H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Agonist activity at human CB2 receptor by GTPgamma[35S] assay |
Bioorg Med Chem Lett 17: 6183-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.019 BindingDB Entry DOI: 10.7270/Q2TH8MD3 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222809
((2-butyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydropyrro...)Show SMILES CCCCN1Cc2c(C1)c1cc(ccc1n2S(=O)(=O)CC)C(=O)N1CCC(C)CC1 Show InChI InChI=1S/C23H33N3O3S/c1-4-6-11-24-15-20-19-14-18(23(27)25-12-9-17(3)10-13-25)7-8-21(19)26(22(20)16-24)30(28,29)5-2/h7-8,14,17H,4-6,9-13,15-16H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Agonist activity at human CB2 receptor by GTPgamma[35S] assay |
Bioorg Med Chem Lett 17: 6183-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.019 BindingDB Entry DOI: 10.7270/Q2TH8MD3 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222807
((4-(ethylsulfonyl)-2-isopropyl-1,2,3,4-tetrahydrop...)Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C(C)C Show InChI InChI=1S/C22H31N3O3S/c1-5-29(27,28)25-20-7-6-17(22(26)23-10-8-16(4)9-11-23)12-18(20)19-13-24(15(2)3)14-21(19)25/h6-7,12,15-16H,5,8-11,13-14H2,1-4H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Agonist activity at human CB2 receptor by GTPgamma[35S] assay |
Bioorg Med Chem Lett 17: 6183-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.019 BindingDB Entry DOI: 10.7270/Q2TH8MD3 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222812
(CHEMBL399949 | N-butyl-2-cyclopentyl-4-(ethylsulfo...)Show SMILES CCCCN(C)C(=O)c1ccc2n(c3CN(Cc3c2c1)C1CCCC1)S(=O)(=O)CC Show InChI InChI=1S/C23H33N3O3S/c1-4-6-13-24(3)23(27)17-11-12-21-19(14-17)20-15-25(18-9-7-8-10-18)16-22(20)26(21)30(28,29)5-2/h11-12,14,18H,4-10,13,15-16H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Agonist activity at human CB2 receptor by GTPgamma[35S] assay |
Bioorg Med Chem Lett 17: 6183-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.019 BindingDB Entry DOI: 10.7270/Q2TH8MD3 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222811
((2-cyclopentyl-4-(cyclopropylsulfonyl)-1,2,3,4-tet...)Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(c3CN(Cc3c2c1)C1CCCC1)S(=O)(=O)C1CC1 Show InChI InChI=1S/C25H33N3O3S/c1-17-10-12-26(13-11-17)25(29)18-6-9-23-21(14-18)22-15-27(19-4-2-3-5-19)16-24(22)28(23)32(30,31)20-7-8-20/h6,9,14,17,19-20H,2-5,7-8,10-13,15-16H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Agonist activity at human CB2 receptor by GTPgamma[35S] assay |
Bioorg Med Chem Lett 17: 6183-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.019 BindingDB Entry DOI: 10.7270/Q2TH8MD3 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222810
((2-cyclopentyl-4-(phenylsulfonyl)-1,2,3,4-tetrahyd...)Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(c3CN(Cc3c2c1)C1CCCC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H33N3O3S/c1-20-13-15-29(16-14-20)28(32)21-11-12-26-24(17-21)25-18-30(22-7-5-6-8-22)19-27(25)31(26)35(33,34)23-9-3-2-4-10-23/h2-4,9-12,17,20,22H,5-8,13-16,18-19H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 15.6 | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Agonist activity at human CB2 receptor by GTPgamma[35S] assay |
Bioorg Med Chem Lett 17: 6183-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.019 BindingDB Entry DOI: 10.7270/Q2TH8MD3 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222785
((2-cyclopentyl-4-(isopropylsulfonyl)-1,2,3,4-tetra...)Show SMILES CC(C)S(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCC1 Show InChI InChI=1S/C25H35N3O3S/c1-17(2)32(30,31)28-23-9-8-19(25(29)26-12-10-18(3)11-13-26)14-21(23)22-15-27(16-24(22)28)20-6-4-5-7-20/h8-9,14,17-18,20H,4-7,10-13,15-16H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Agonist activity at human CB2 receptor by GTPgamma[35S] assay |
Bioorg Med Chem Lett 17: 6183-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.019 BindingDB Entry DOI: 10.7270/Q2TH8MD3 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222790
((4-allyl-2-cyclopentyl-1,2,3,4-tetrahydropyrrolo[3...)Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(CC=C)c3CN(Cc3c2c1)C1CCCC1 Show InChI InChI=1S/C25H33N3O/c1-3-12-28-23-9-8-19(25(29)26-13-10-18(2)11-14-26)15-21(23)22-16-27(17-24(22)28)20-6-4-5-7-20/h3,8-9,15,18,20H,1,4-7,10-14,16-17H2,2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Agonist activity at human CB2 receptor by GTPgamma[35S] assay |
Bioorg Med Chem Lett 17: 6183-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.019 BindingDB Entry DOI: 10.7270/Q2TH8MD3 |
More data for this Ligand-Target Pair | |