Compile Data Set for Download or QSAR

Found 83 hits Enz. Inhib. hit(s) with all data for entry = 50032781   

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))	BDBM50334590 (CHEMBL1641956 | N3-(1-Adamantyl)-6-(2-chlorophenyl...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1Cl |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19| Show InChI InChI=1S/C27H33ClN2O2/c1-2-3-6-9-30-17-22(25(31)13-24(30)21-7-4-5-8-23(21)28)26(32)29-27-14-18-10-19(15-27)12-20(11-18)16-27/h4-5,7-8,13,17-20H,2-3,6,9-12,14-16H2,1H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50334589 (CHEMBL1641955 | N3-(1-Adamantyl)-6-(3-chlorophenyl...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1cccc(Cl)c1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19| Show InChI InChI=1S/C27H33ClN2O2/c1-2-3-4-8-30-17-23(25(31)13-24(30)21-6-5-7-22(28)12-21)26(32)29-27-14-18-9-19(15-27)11-20(10-18)16-27/h5-7,12-13,17-20H,2-4,8-11,14-16H2,1H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50334567 (CHEMBL1641945 | N3-(1-Adamantyl)-4-oxo-1-pentyl-6-...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19| Show InChI InChI=1S/C27H34N2O2/c1-2-3-7-10-29-18-23(25(30)14-24(29)22-8-5-4-6-9-22)26(31)28-27-15-19-11-20(16-27)13-21(12-19)17-27/h4-6,8-9,14,18-21H,2-3,7,10-13,15-17H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50334565 (CHEMBL1641943 | N3-(1-(3,5-Dimethyl)adamantyl)-4-o...) Show SMILES CCCCCn1cc(C(=O)NCC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)cc1-c1ccccc1 |TLB:20:19:15:23.13.12,11:12:15.14.21:18,THB:13:14:18:23.12.22,13:12:15.14.21:18,11:12:15:21.19.18,22:12:15:21.19.18,22:19:15:23.13.12| Show InChI InChI=1S/C30H40N2O2/c1-4-5-9-12-32-17-24(26(33)13-25(32)23-10-7-6-8-11-23)27(34)31-21-30-16-22-14-28(2,19-30)18-29(3,15-22)20-30/h6-8,10-11,13,17,22H,4-5,9,12,14-16,18-21H2,1-3H3,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					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	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50334570 ((R)-4-Oxo-1-pentyl-6-phenyl-N3-(1-(1,2,3,4-tetrahy...) Show SMILES CCCCCn1cc(C(=O)N[C@@H]2CCCc3ccccc23)c(=O)cc1-c1ccccc1 |r| Show InChI InChI=1S/C27H30N2O2/c1-2-3-9-17-29-19-23(26(30)18-25(29)21-12-5-4-6-13-21)27(31)28-24-16-10-14-20-11-7-8-15-22(20)24/h4-8,11-13,15,18-19,24H,2-3,9-10,14,16-17H2,1H3,(H,28,31)/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50334569 (CHEMBL1641947 | N3-(Cyclohexyl)-4-oxo-1-pentyl-6-p...) Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)cc1-c1ccccc1 Show InChI InChI=1S/C23H30N2O2/c1-2-3-10-15-25-17-20(23(27)24-19-13-8-5-9-14-19)22(26)16-21(25)18-11-6-4-7-12-18/h4,6-7,11-12,16-17,19H,2-3,5,8-10,13-15H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50334591 (CHEMBL1641957 | N3-(1-Adamantyl)-6-(4-methylphenyl...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccc(C)cc1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19| Show InChI InChI=1S/C28H36N2O2/c1-3-4-5-10-30-18-24(26(31)14-25(30)23-8-6-19(2)7-9-23)27(32)29-28-15-20-11-21(16-28)13-22(12-20)17-28/h6-9,14,18,20-22H,3-5,10-13,15-17H2,1-2H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50334568 (CHEMBL1641946 | N3-(1-Adamantyl)-1-hexyl-4-oxo-6-p...) Show SMILES CCCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1 |TLB:15:16:14.13.19:20,THB:17:16:13:19.18.20,17:18:15.16.21:13,15:14:16.21.17:20| Show InChI InChI=1S/C28H36N2O2/c1-2-3-4-8-11-30-19-24(26(31)15-25(30)23-9-6-5-7-10-23)27(32)29-28-16-20-12-21(17-28)14-22(13-20)18-28/h5-7,9-10,15,19-22H,2-4,8,11-14,16-18H2,1H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50334583 ((R,S)-N3-(1-(1-Adamantyl)ethyl)-4-oxo-1-pentyl-6-p...) Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1 |TLB:11:13:16.15.20:18,THB:14:15:18:22.13.21,14:13:16.15.20:18,11:13:16:20.19.18,21:13:16:20.19.18,21:19:16:22.14.13| Show InChI InChI=1S/C29H38N2O2/c1-3-4-8-11-31-19-25(27(32)15-26(31)24-9-6-5-7-10-24)28(33)30-20(2)29-16-21-12-22(17-29)14-23(13-21)18-29/h5-7,9-10,15,19-23H,3-4,8,11-14,16-18H2,1-2H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/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	15.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50334566 (CHEMBL1641944 | N3-(1-Adamantyl)-1-butyl-4-oxo-6-p...) Show SMILES CCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1 |TLB:13:14:12.11.17:18,THB:15:14:11:17.16.18,15:16:13.14.19:11,13:12:14.19.15:18| Show InChI InChI=1S/C26H32N2O2/c1-2-3-9-28-17-22(24(29)13-23(28)21-7-5-4-6-8-21)25(30)27-26-14-18-10-19(15-26)12-20(11-18)16-26/h4-8,13,17-20H,2-3,9-12,14-16H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50334577 (CHEMBL1641959 | N3-(1-Adamantyl)-1-pentyl-6-phenyl...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=S)cc1-c1ccccc1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19| Show InChI InChI=1S/C27H34N2OS/c1-2-3-7-10-29-18-23(25(31)14-24(29)22-8-5-4-6-9-22)26(30)28-27-15-19-11-20(16-27)13-21(12-19)17-27/h4-6,8-9,14,18-21H,2-3,7,10-13,15-17H2,1H3,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50334586 (CHEMBL1641936 | N3-(1-Adamantyl)-6-methyl-1-pentyl...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1C |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19| Show InChI InChI=1S/C22H32N2O2/c1-3-4-5-6-24-14-19(20(25)7-15(24)2)21(26)23-22-11-16-8-17(12-22)10-18(9-16)13-22/h7,14,16-18H,3-6,8-13H2,1-2H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50334581 ((6aR,10aR)-6,6-dimethyl-3-(2-methylpentan-2-yl)-6a...) Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1 |r| Show InChI InChI=1S/C21H30O2/c1-6-11-20(2,3)14-7-9-16-17-13-15(22)8-10-18(17)21(4,5)23-19(16)12-14/h7,9,12,17-18H,6,8,10-11,13H2,1-5H3/t17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50334582 (CHEMBL1641942 | N3-((1-Adamantyl)methyl)-4-oxo-1-p...) Show SMILES CCCCCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1 |TLB:11:12:15.14.19:17,THB:13:14:17:21.12.20,13:12:15.14.19:17,11:12:15:19.18.17,20:12:15:19.18.17,20:18:15:21.13.12| Show InChI InChI=1S/C28H36N2O2/c1-2-3-7-10-30-18-24(26(31)14-25(30)23-8-5-4-6-9-23)27(32)29-19-28-15-20-11-21(16-28)13-22(12-20)17-28/h4-6,8-9,14,18,20-22H,2-3,7,10-13,15-17,19H2,1H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50334573 (4-Oxo-1-pentyl-6-phenyl-N3-(3(trifluoromethyl)phen...) Show SMILES CCCCCn1cc(C(=O)Nc2cccc(c2)C(F)(F)F)c(=O)cc1-c1ccccc1 Show InChI InChI=1S/C24H23F3N2O2/c1-2-3-7-13-29-16-20(22(30)15-21(29)17-9-5-4-6-10-17)23(31)28-19-12-8-11-18(14-19)24(25,26)27/h4-6,8-12,14-16H,2-3,7,13H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50334584 (CHEMBL1641938 | N3-(Cyclohexyl)-6-tert-butyl-1-pen...) Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)cc1C(C)(C)C Show InChI InChI=1S/C21H34N2O2/c1-5-6-10-13-23-15-17(18(24)14-19(23)21(2,3)4)20(25)22-16-11-8-7-9-12-16/h14-16H,5-13H2,1-4H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50334585 (CHEMBL1641937 | N3-(1-Adamantyl)-6-tert-butyl-1-pe...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1C(C)(C)C |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19| Show InChI InChI=1S/C25H38N2O2/c1-5-6-7-8-27-16-20(21(28)12-22(27)24(2,3)4)23(29)26-25-13-17-9-18(14-25)11-19(10-17)15-25/h12,16-19H,5-11,13-15H2,1-4H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50334590 (CHEMBL1641956 | N3-(1-Adamantyl)-6-(2-chlorophenyl...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1Cl |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19| Show InChI InChI=1S/C27H33ClN2O2/c1-2-3-6-9-30-17-22(25(31)13-24(30)21-7-4-5-8-23(21)28)26(32)29-27-14-18-10-19(15-27)12-20(11-18)16-27/h4-5,7-8,13,17-20H,2-3,6,9-12,14-16H2,1H3,(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50334578 (CHEMBL1641960 | N3-(Cyclohexyl)-1-pentyl-6-phenyl-...) Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=S)cc1-c1ccccc1 Show InChI InChI=1S/C23H30N2OS/c1-2-3-10-15-25-17-20(23(26)24-19-13-8-5-9-14-19)22(27)16-21(25)18-11-6-4-7-12-18/h4,6-7,11-12,16-17,19H,2-3,5,8-10,13-15H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50334580 (CHEMBL1641962 | N-(4-Oxo-1-pentyl-6-phenyl-1,4-dih...) Show SMILES CCCCCn1cc(NC(=O)C2CCCCC2)c(=O)cc1-c1ccccc1 Show InChI InChI=1S/C23H30N2O2/c1-2-3-10-15-25-17-20(24-23(27)19-13-8-5-9-14-19)22(26)16-21(25)18-11-6-4-7-12-18/h4,6-7,11-12,16-17,19H,2-3,5,8-10,13-15H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50334589 (CHEMBL1641955 | N3-(1-Adamantyl)-6-(3-chlorophenyl...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1cccc(Cl)c1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19| Show InChI InChI=1S/C27H33ClN2O2/c1-2-3-4-8-30-17-23(25(31)13-24(30)21-6-5-7-22(28)12-21)26(32)29-27-14-18-9-19(15-27)11-20(10-18)16-27/h5-7,12-13,17-20H,2-4,8-11,14-16H2,1H3,(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50180022 (5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...) Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	51.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50334575 (6-(4-Chlorophenyl)-N3-cyclohexyl-4-oxo-1-pentyl-1,...) Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H29ClN2O2/c1-2-3-7-14-26-16-20(23(28)25-19-8-5-4-6-9-19)22(27)15-21(26)17-10-12-18(24)13-11-17/h10-13,15-16,19H,2-9,14H2,1H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50334574 (CHEMBL1641952 | N3-(1-Adamantyl)-6-(4-chlorophenyl...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccc(Cl)cc1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19| Show InChI InChI=1S/C27H33ClN2O2/c1-2-3-4-9-30-17-23(25(31)13-24(30)21-5-7-22(28)8-6-21)26(32)29-27-14-18-10-19(15-27)12-20(11-18)16-27/h5-8,13,17-20H,2-4,9-12,14-16H2,1H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50334592 (CHEMBL1641958 | N3-(1-Adamantyl)-6-(4-methoxypheny...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccc(OC)cc1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19| Show InChI InChI=1S/C28H36N2O3/c1-3-4-5-10-30-18-24(26(31)14-25(30)22-6-8-23(33-2)9-7-22)27(32)29-28-15-19-11-20(16-28)13-21(12-19)17-28/h6-9,14,18-21H,3-5,10-13,15-17H2,1-2H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50334572 (4-Oxo-1-pentyl-6-phenyl-N3-(piperidin-1-yl)-1,4-di...) Show SMILES CCCCCn1cc(C(=O)NN2CCCCC2)c(=O)cc1-c1ccccc1 Show InChI InChI=1S/C22H29N3O2/c1-2-3-8-13-24-17-19(22(27)23-25-14-9-5-10-15-25)21(26)16-20(24)18-11-6-4-7-12-18/h4,6-7,11-12,16-17H,2-3,5,8-10,13-15H2,1H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50334570 ((R)-4-Oxo-1-pentyl-6-phenyl-N3-(1-(1,2,3,4-tetrahy...) Show SMILES CCCCCn1cc(C(=O)N[C@@H]2CCCc3ccccc23)c(=O)cc1-c1ccccc1 |r| Show InChI InChI=1S/C27H30N2O2/c1-2-3-9-17-29-19-23(26(30)18-25(29)21-12-5-4-6-13-21)27(31)28-24-16-10-14-20-11-7-8-15-22(20)24/h4-8,11-13,15,18-19,24H,2-3,9-10,14,16-17H2,1H3,(H,28,31)/t24-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50334591 (CHEMBL1641957 | N3-(1-Adamantyl)-6-(4-methylphenyl...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccc(C)cc1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19| Show InChI InChI=1S/C28H36N2O2/c1-3-4-5-10-30-18-24(26(31)14-25(30)23-8-6-19(2)7-9-23)27(32)29-28-15-20-11-21(16-28)13-22(12-20)17-28/h6-9,14,18,20-22H,3-5,10-13,15-17H2,1-2H3,(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50334579 (CHEMBL1641961 | tert-Butyl 4-Oxo-1-pentyl-6-phenyl...) Show SMILES CCCCCn1cc(NC(=O)OC(C)(C)C)c(=O)cc1-c1ccccc1 Show InChI InChI=1S/C21H28N2O3/c1-5-6-10-13-23-15-17(22-20(25)26-21(2,3)4)19(24)14-18(23)16-11-8-7-9-12-16/h7-9,11-12,14-15H,5-6,10,13H2,1-4H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	209	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50334583 ((R,S)-N3-(1-(1-Adamantyl)ethyl)-4-oxo-1-pentyl-6-p...) Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1 |TLB:11:13:16.15.20:18,THB:14:15:18:22.13.21,14:13:16.15.20:18,11:13:16:20.19.18,21:13:16:20.19.18,21:19:16:22.14.13| Show InChI InChI=1S/C29H38N2O2/c1-3-4-8-11-31-19-25(27(32)15-26(31)24-9-6-5-7-10-24)28(33)30-20(2)29-16-21-12-22(17-29)14-23(13-21)18-29/h5-7,9-10,15,19-23H,3-4,8,11-14,16-18H2,1-2H3,(H,30,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	368	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50334571 ((S)-4-Oxo-1-pentyl-6-phenyl-N3-(1-(1,2,3,4-tetrahy...) Show SMILES CCCCCn1cc(C(=O)N[C@H]2CCCc3ccccc23)c(=O)cc1-c1ccccc1 |r| Show InChI InChI=1S/C27H30N2O2/c1-2-3-9-17-29-19-23(26(30)18-25(29)21-12-5-4-6-13-21)27(31)28-24-16-10-14-20-11-7-8-15-22(20)24/h4-8,11-13,15,18-19,24H,2-3,9-10,14,16-17H2,1H3,(H,28,31)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	369	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50334592 (CHEMBL1641958 | N3-(1-Adamantyl)-6-(4-methoxypheny...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccc(OC)cc1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19| Show InChI InChI=1S/C28H36N2O3/c1-3-4-5-10-30-18-24(26(31)14-25(30)22-6-8-23(33-2)9-7-22)27(32)29-28-15-19-11-20(16-28)13-21(12-19)17-28/h6-9,14,18-21H,3-5,10-13,15-17H2,1-2H3,(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	384	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50334587 ((R,S)-N3-(1-(1-Adamantyl)ethyl)-1-ethyl-4-oxo-6-ph...) Show SMILES CCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1 |TLB:8:10:13.12.17:15,THB:11:12:15:19.10.18,11:10:13.12.17:15,8:10:13:17.16.15,18:10:13:17.16.15,18:16:13:19.11.10| Show InChI InChI=1S/C26H32N2O2/c1-3-28-16-22(24(29)12-23(28)21-7-5-4-6-8-21)25(30)27-17(2)26-13-18-9-19(14-26)11-20(10-18)15-26/h4-8,12,16-20H,3,9-11,13-15H2,1-2H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	414	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50334565 (CHEMBL1641943 | N3-(1-(3,5-Dimethyl)adamantyl)-4-o...) Show SMILES CCCCCn1cc(C(=O)NCC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)cc1-c1ccccc1 |TLB:20:19:15:23.13.12,11:12:15.14.21:18,THB:13:14:18:23.12.22,13:12:15.14.21:18,11:12:15:21.19.18,22:12:15:21.19.18,22:19:15:23.13.12| Show InChI InChI=1S/C30H40N2O2/c1-4-5-9-12-32-17-24(26(33)13-25(32)23-10-7-6-8-11-23)27(34)31-21-30-16-22-14-28(2,19-30)18-29(3,15-22)20-30/h6-8,10-11,13,17,22H,4-5,9,12,14-16,18-21H2,1-3H3,(H,31,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	454	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50334567 (CHEMBL1641945 | N3-(1-Adamantyl)-4-oxo-1-pentyl-6-...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19| Show InChI InChI=1S/C27H34N2O2/c1-2-3-7-10-29-18-23(25(30)14-24(29)22-8-5-4-6-9-22)26(31)28-27-15-19-11-20(16-27)13-21(12-19)17-27/h4-6,8-9,14,18-21H,2-3,7,10-13,15-17H2,1H3,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	592	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50334568 (CHEMBL1641946 | N3-(1-Adamantyl)-1-hexyl-4-oxo-6-p...) Show SMILES CCCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1 |TLB:15:16:14.13.19:20,THB:17:16:13:19.18.20,17:18:15.16.21:13,15:14:16.21.17:20| Show InChI InChI=1S/C28H36N2O2/c1-2-3-4-8-11-30-19-24(26(31)15-25(30)23-9-6-5-7-10-23)27(32)29-28-16-20-12-21(17-28)14-22(13-20)18-28/h5-7,9-10,15,19-22H,2-4,8,11-14,16-18H2,1H3,(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	596	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50334582 (CHEMBL1641942 | N3-((1-Adamantyl)methyl)-4-oxo-1-p...) Show SMILES CCCCCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1 |TLB:11:12:15.14.19:17,THB:13:14:17:21.12.20,13:12:15.14.19:17,11:12:15:19.18.17,20:12:15:19.18.17,20:18:15:21.13.12| Show InChI InChI=1S/C28H36N2O2/c1-2-3-7-10-30-18-24(26(31)14-25(30)23-8-5-4-6-9-23)27(32)29-19-28-15-20-11-21(16-28)13-22(12-20)17-28/h4-6,8-9,14,18,20-22H,2-3,7,10-13,15-17,19H2,1H3,(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	626	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50334569 (CHEMBL1641947 | N3-(Cyclohexyl)-4-oxo-1-pentyl-6-p...) Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)cc1-c1ccccc1 Show InChI InChI=1S/C23H30N2O2/c1-2-3-10-15-25-17-20(23(27)24-19-13-8-5-9-14-19)22(26)16-21(25)18-11-6-4-7-12-18/h4,6-7,11-12,16-17,19H,2-3,5,8-10,13-15H2,1H3,(H,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	929	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50334566 (CHEMBL1641944 | N3-(1-Adamantyl)-1-butyl-4-oxo-6-p...) Show SMILES CCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1 |TLB:13:14:12.11.17:18,THB:15:14:11:17.16.18,15:16:13.14.19:11,13:12:14.19.15:18| Show InChI InChI=1S/C26H32N2O2/c1-2-3-9-28-17-22(24(29)13-23(28)21-7-5-4-6-8-21)25(30)27-26-14-18-10-19(15-26)12-20(11-18)16-26/h4-8,13,17-20H,2-3,9-12,14-16H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50334571 ((S)-4-Oxo-1-pentyl-6-phenyl-N3-(1-(1,2,3,4-tetrahy...) Show SMILES CCCCCn1cc(C(=O)N[C@H]2CCCc3ccccc23)c(=O)cc1-c1ccccc1 |r| Show InChI InChI=1S/C27H30N2O2/c1-2-3-9-17-29-19-23(26(30)18-25(29)21-12-5-4-6-13-21)27(31)28-24-16-10-14-20-11-7-8-15-22(20)24/h4-8,11-13,15,18-19,24H,2-3,9-10,14,16-17H2,1H3,(H,28,31)/t24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50334574 (CHEMBL1641952 | N3-(1-Adamantyl)-6-(4-chlorophenyl...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccc(Cl)cc1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19| Show InChI InChI=1S/C27H33ClN2O2/c1-2-3-4-9-30-17-23(25(31)13-24(30)21-5-7-22(28)8-6-21)26(32)29-27-14-18-10-19(15-27)12-20(11-18)16-27/h5-8,13,17-20H,2-4,9-12,14-16H2,1H3,(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50334575 (6-(4-Chlorophenyl)-N3-cyclohexyl-4-oxo-1-pentyl-1,...) Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H29ClN2O2/c1-2-3-7-14-26-16-20(23(28)25-19-8-5-4-6-9-19)22(27)15-21(26)17-10-12-18(24)13-11-17/h10-13,15-16,19H,2-9,14H2,1H3,(H,25,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50334576 (6-(4-Chlorophenyl)-4-oxo-1-pentyl-N3-(3(trifluorom...) Show SMILES CCCCCn1cc(C(=O)Nc2cccc(c2)C(F)(F)F)c(=O)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H22ClF3N2O2/c1-2-3-4-12-30-15-20(22(31)14-21(30)16-8-10-18(25)11-9-16)23(32)29-19-7-5-6-17(13-19)24(26,27)28/h5-11,13-15H,2-4,12H2,1H3,(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50334577 (CHEMBL1641959 | N3-(1-Adamantyl)-1-pentyl-6-phenyl...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=S)cc1-c1ccccc1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19| Show InChI InChI=1S/C27H34N2OS/c1-2-3-7-10-29-18-23(25(31)14-24(29)22-8-5-4-6-9-22)26(30)28-27-15-19-11-20(16-27)13-21(12-19)17-27/h4-6,8-9,14,18-21H,2-3,7,10-13,15-17H2,1H3,(H,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50334578 (CHEMBL1641960 | N3-(Cyclohexyl)-1-pentyl-6-phenyl-...) Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=S)cc1-c1ccccc1 Show InChI InChI=1S/C23H30N2OS/c1-2-3-10-15-25-17-20(23(26)24-19-13-8-5-9-14-19)22(27)16-21(25)18-11-6-4-7-12-18/h4,6-7,11-12,16-17,19H,2-3,5,8-10,13-15H2,1H3,(H,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50334576 (6-(4-Chlorophenyl)-4-oxo-1-pentyl-N3-(3(trifluorom...) Show SMILES CCCCCn1cc(C(=O)Nc2cccc(c2)C(F)(F)F)c(=O)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H22ClF3N2O2/c1-2-3-4-12-30-15-20(22(31)14-21(30)16-8-10-18(25)11-9-16)23(32)29-19-7-5-6-17(13-19)24(26,27)28/h5-11,13-15H,2-4,12H2,1H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50334580 (CHEMBL1641962 | N-(4-Oxo-1-pentyl-6-phenyl-1,4-dih...) Show SMILES CCCCCn1cc(NC(=O)C2CCCCC2)c(=O)cc1-c1ccccc1 Show InChI InChI=1S/C23H30N2O2/c1-2-3-10-15-25-17-20(24-23(27)19-13-8-5-9-14-19)22(26)16-21(25)18-11-6-4-7-12-18/h4,6-7,11-12,16-17,19H,2-3,5,8-10,13-15H2,1H3,(H,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50334579 (CHEMBL1641961 | tert-Butyl 4-Oxo-1-pentyl-6-phenyl...) Show SMILES CCCCCn1cc(NC(=O)OC(C)(C)C)c(=O)cc1-c1ccccc1 Show InChI InChI=1S/C21H28N2O3/c1-5-6-10-13-23-15-17(22-20(25)26-21(2,3)4)19(24)14-18(23)16-11-8-7-9-12-16/h7-9,11-12,14-15H,5-6,10,13H2,1-4H3,(H,22,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Lille-Nord de France Curated by ChEMBL					Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr				J Med Chem 53: 7918-31 (2010) Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP
					More data for this Ligand-Target Pair

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