Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50049017   

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))	BDBM50232938 (CHEMBL4088509) Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc(nn(Cc2ccc(F)cc2)c1=O)-c1ccc(Cl)c(C)c1 |r,wU:4.7,1.0,(53.55,-14.07,;52.76,-15.39,;53.52,-16.73,;52.74,-18.05,;51.2,-18.03,;50.43,-16.7,;51.22,-15.38,;50.42,-19.36,;48.88,-19.35,;48.12,-18.01,;48.1,-20.68,;46.55,-20.66,;45.78,-21.99,;46.55,-23.33,;48.08,-23.34,;48.84,-24.68,;48.06,-26.01,;46.52,-26,;45.74,-27.32,;46.5,-28.66,;45.72,-29.99,;48.05,-28.67,;48.82,-27.34,;48.86,-22.02,;50.4,-22.03,;44.25,-21.99,;43.48,-20.64,;41.94,-20.64,;41.16,-21.97,;39.62,-21.96,;41.93,-23.31,;41.15,-24.64,;43.47,-23.32,)| Show InChI InChI=1S/C26H27ClFN3O2/c1-16-3-10-21(11-4-16)29-25(32)22-14-24(19-7-12-23(27)17(2)13-19)30-31(26(22)33)15-18-5-8-20(28)9-6-18/h5-9,12-14,16,21H,3-4,10-11,15H2,1-2H3,(H,29,32)/t16-,21+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50232930 (CHEMBL4067246) Show SMILES [H][C@@]12CC[C@@](C)(C1)[C@H](NC(=O)c1cc(nn(Cc3ccc(F)cc3)c1=O)-c1ccc(Cl)c(C)c1)C2(C)C |r| Show InChI InChI=1S/C29H31ClFN3O2/c1-17-13-19(7-10-23(17)30)24-14-22(26(36)34(33-24)16-18-5-8-21(31)9-6-18)25(35)32-27-28(2,3)20-11-12-29(27,4)15-20/h5-10,13-14,20,27H,11-12,15-16H2,1-4H3,(H,32,35)/t20-,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50232931 (CHEMBL4091845) Show SMILES Cc1cc(ccc1Cl)-c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n(Cc2ccc(F)cc2)n1 |THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20| Show InChI InChI=1S/C29H29ClFN3O2/c1-17-8-22(4-7-25(17)30)26-12-24(28(36)34(33-26)16-18-2-5-23(31)6-3-18)27(35)32-29-13-19-9-20(14-29)11-21(10-19)15-29/h2-8,12,19-21H,9-11,13-16H2,1H3,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					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 UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50232936 (CHEMBL4071738) Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(nn(C2CCCC2)c1=O)-c1ccccc1 |THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9| Show InChI InChI=1S/C26H31N3O2/c30-24(27-26-14-17-10-18(15-26)12-19(11-17)16-26)22-13-23(20-6-2-1-3-7-20)28-29(25(22)31)21-8-4-5-9-21/h1-3,6-7,13,17-19,21H,4-5,8-12,14-16H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50232941 (CHEMBL4084087) Show SMILES Cc1cc(ccc1Cl)-c1cc(C(=O)NC2CCCCC2)c(=O)n(Cc2ccc(F)cc2)n1 Show InChI InChI=1S/C25H25ClFN3O2/c1-16-13-18(9-12-22(16)26)23-14-21(24(31)28-20-5-3-2-4-6-20)25(32)30(29-23)15-17-7-10-19(27)11-8-17/h7-14,20H,2-6,15H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50232940 (CHEMBL4071007) Show SMILES Cc1cc(ccc1Cl)-c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)n1 Show InChI InChI=1S/C26H27ClFN3O2/c1-17-14-19(10-13-23(17)27)24-15-22(25(32)29-21-6-4-2-3-5-7-21)26(33)31(30-24)16-18-8-11-20(28)12-9-18/h8-15,21H,2-7,16H2,1H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50232933 (CHEMBL4094388) Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc(nn(Cc2ccc(F)cc2)c1=O)-c1ccccc1 |r,wU:4.7,1.0,(18.4,-15.46,;17.62,-16.78,;18.37,-18.12,;17.59,-19.44,;16.06,-19.42,;15.29,-18.09,;16.08,-16.77,;15.27,-20.75,;13.73,-20.74,;12.97,-19.4,;12.95,-22.07,;11.4,-22.05,;10.64,-23.39,;11.39,-24.73,;12.93,-24.74,;13.69,-26.08,;12.91,-27.41,;11.37,-27.39,;10.59,-28.71,;11.35,-30.05,;10.57,-31.38,;12.9,-30.06,;13.67,-28.73,;13.71,-23.41,;15.25,-23.42,;9.1,-23.38,;8.32,-24.71,;6.78,-24.7,;6.02,-23.36,;6.79,-22.03,;8.32,-22.03,)| Show InChI InChI=1S/C25H26FN3O2/c1-17-7-13-21(14-8-17)27-24(30)22-15-23(19-5-3-2-4-6-19)28-29(25(22)31)16-18-9-11-20(26)12-10-18/h2-6,9-12,15,17,21H,7-8,13-14,16H2,1H3,(H,27,30)/t17-,21+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50232937 (CHEMBL4086649) Show SMILES Cc1ccc(cc1Cl)-c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n(n1)C1CCCC1 |THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20| Show InChI InChI=1S/C27H32ClN3O2/c1-16-6-7-20(11-23(16)28)24-12-22(26(33)31(30-24)21-4-2-3-5-21)25(32)29-27-13-17-8-18(14-27)10-19(9-17)15-27/h6-7,11-12,17-19,21H,2-5,8-10,13-15H2,1H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50232929 (CHEMBL4085733) Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nn(Cc2ccc(F)cc2)c1=O)-c1ccc(Cl)c(C)c1 |r,wU:1.0,wD:4.7,(52.61,-29.16,;51.83,-30.49,;52.58,-31.83,;51.8,-33.15,;50.26,-33.13,;49.5,-31.8,;50.29,-30.47,;49.48,-34.46,;47.94,-34.45,;47.18,-33.11,;47.16,-35.77,;45.62,-35.76,;44.85,-37.09,;45.61,-38.43,;47.14,-38.44,;47.9,-39.78,;47.12,-41.11,;45.58,-41.09,;44.8,-42.42,;45.56,-43.76,;44.79,-45.09,;47.11,-43.77,;47.89,-42.44,;47.93,-37.11,;49.47,-37.13,;43.31,-37.08,;42.54,-35.74,;41,-35.74,;40.23,-37.06,;38.69,-37.06,;40.99,-38.41,;40.21,-39.74,;42.53,-38.42,)| Show InChI InChI=1S/C26H27ClFN3O2/c1-16-3-10-21(11-4-16)29-25(32)22-14-24(19-7-12-23(27)17(2)13-19)30-31(26(22)33)15-18-5-8-20(28)9-6-18/h5-9,12-14,16,21H,3-4,10-11,15H2,1-2H3,(H,29,32)/t16-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50399157 (CHEMBL2179724) Show SMILES CCCCCCC(C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@H]3C[C@@H]2C3(C)C)c(OC)c1 |r,t:16| Show InChI InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50232934 (CHEMBL4098746) Show SMILES O=C(NC1CCCCCC1)c1cc(nn(C2CCCC2)c1=O)-c1ccccc1 Show InChI InChI=1S/C23H29N3O2/c27-22(24-18-12-6-1-2-7-13-18)20-16-21(17-10-4-3-5-11-17)25-26(23(20)28)19-14-8-9-15-19/h3-5,10-11,16,18-19H,1-2,6-9,12-15H2,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50232935 (CHEMBL4102128) Show SMILES Fc1ccc(Cn2nc(cc(C(=O)NC3CCCCCC3)c2=O)-c2ccccc2)cc1 Show InChI InChI=1S/C25H26FN3O2/c26-20-14-12-18(13-15-20)17-29-25(31)22(16-23(28-29)19-8-4-3-5-9-19)24(30)27-21-10-6-1-2-7-11-21/h3-5,8-9,12-16,21H,1-2,6-7,10-11,17H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50232937 (CHEMBL4086649) Show SMILES Cc1ccc(cc1Cl)-c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n(n1)C1CCCC1 |THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20| Show InChI InChI=1S/C27H32ClN3O2/c1-16-6-7-20(11-23(16)28)24-12-22(26(33)31(30-24)21-4-2-3-5-21)25(32)29-27-13-17-8-18(14-27)10-19(9-17)15-27/h6-7,11-12,17-19,21H,2-5,8-10,13-15H2,1H3,(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50232935 (CHEMBL4102128) Show SMILES Fc1ccc(Cn2nc(cc(C(=O)NC3CCCCCC3)c2=O)-c2ccccc2)cc1 Show InChI InChI=1S/C25H26FN3O2/c26-20-14-12-18(13-15-20)17-29-25(31)22(16-23(28-29)19-8-4-3-5-9-19)24(30)27-21-10-6-1-2-7-11-21/h3-5,8-9,12-16,21H,1-2,6-7,10-11,17H2,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50232942 (CHEMBL4077875) Show SMILES Fc1ccc(Cn2nc(cc(C(=O)NC3CCCCC3)c2=O)-c2ccccc2)cc1 Show InChI InChI=1S/C24H24FN3O2/c25-19-13-11-17(12-14-19)16-28-24(30)21(23(29)26-20-9-5-2-6-10-20)15-22(27-28)18-7-3-1-4-8-18/h1,3-4,7-8,11-15,20H,2,5-6,9-10,16H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50232939 (CHEMBL4104545) Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nn(Cc2ccc(F)cc2)c1=O)-c1ccccc1 |r,wU:1.0,wD:4.7,(18.74,-30.37,;17.96,-31.7,;18.71,-33.03,;17.93,-34.35,;16.4,-34.33,;15.63,-33,;16.42,-31.68,;15.61,-35.66,;14.07,-35.65,;13.31,-34.31,;13.29,-36.98,;11.74,-36.97,;10.98,-38.3,;11.74,-39.64,;13.27,-39.65,;14.03,-40.99,;13.25,-42.32,;11.71,-42.3,;10.93,-43.62,;11.69,-44.96,;10.91,-46.29,;13.24,-44.97,;14.01,-43.64,;14.05,-38.32,;15.59,-38.33,;9.44,-38.29,;8.66,-39.62,;7.12,-39.62,;6.36,-38.27,;7.13,-36.94,;8.67,-36.95,)| Show InChI InChI=1S/C25H26FN3O2/c1-17-7-13-21(14-8-17)27-24(30)22-15-23(19-5-3-2-4-6-19)28-29(25(22)31)16-18-9-11-20(26)12-10-18/h2-6,9-12,15,17,21H,7-8,13-14,16H2,1H3,(H,27,30)/t17-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50232933 (CHEMBL4094388) Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc(nn(Cc2ccc(F)cc2)c1=O)-c1ccccc1 |r,wU:4.7,1.0,(18.4,-15.46,;17.62,-16.78,;18.37,-18.12,;17.59,-19.44,;16.06,-19.42,;15.29,-18.09,;16.08,-16.77,;15.27,-20.75,;13.73,-20.74,;12.97,-19.4,;12.95,-22.07,;11.4,-22.05,;10.64,-23.39,;11.39,-24.73,;12.93,-24.74,;13.69,-26.08,;12.91,-27.41,;11.37,-27.39,;10.59,-28.71,;11.35,-30.05,;10.57,-31.38,;12.9,-30.06,;13.67,-28.73,;13.71,-23.41,;15.25,-23.42,;9.1,-23.38,;8.32,-24.71,;6.78,-24.7,;6.02,-23.36,;6.79,-22.03,;8.32,-22.03,)| Show InChI InChI=1S/C25H26FN3O2/c1-17-7-13-21(14-8-17)27-24(30)22-15-23(19-5-3-2-4-6-19)28-29(25(22)31)16-18-9-11-20(26)12-10-18/h2-6,9-12,15,17,21H,7-8,13-14,16H2,1H3,(H,27,30)/t17-,21+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50232944 (CHEMBL4094331) Show SMILES Cc1ccc(Cn2nc(cc(C(=O)NC3CCCCC3)c2=O)-c2ccc(Cl)c(C)c2)cc1 Show InChI InChI=1S/C26H28ClN3O2/c1-17-8-10-19(11-9-17)16-30-26(32)22(25(31)28-21-6-4-3-5-7-21)15-24(29-30)20-12-13-23(27)18(2)14-20/h8-15,21H,3-7,16H2,1-2H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50232936 (CHEMBL4071738) Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(nn(C2CCCC2)c1=O)-c1ccccc1 |THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9| Show InChI InChI=1S/C26H31N3O2/c30-24(27-26-14-17-10-18(15-26)12-19(11-17)16-26)22-13-23(20-6-2-1-3-7-20)28-29(25(22)31)21-8-4-5-9-21/h1-3,6-7,13,17-19,21H,4-5,8-12,14-16H2,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	245	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50232928 (CHEMBL4064165) Show SMILES Cc1cc(ccc1Cl)-c1cc(C(=O)NCCN2CCOCC2)c(=O)n(Cc2ccc(F)cc2)n1 Show InChI InChI=1S/C25H26ClFN4O3/c1-17-14-19(4-7-22(17)26)23-15-21(24(32)28-8-9-30-10-12-34-13-11-30)25(33)31(29-23)16-18-2-5-20(27)6-3-18/h2-7,14-15H,8-13,16H2,1H3,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	311	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50232939 (CHEMBL4104545) Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nn(Cc2ccc(F)cc2)c1=O)-c1ccccc1 |r,wU:1.0,wD:4.7,(18.74,-30.37,;17.96,-31.7,;18.71,-33.03,;17.93,-34.35,;16.4,-34.33,;15.63,-33,;16.42,-31.68,;15.61,-35.66,;14.07,-35.65,;13.31,-34.31,;13.29,-36.98,;11.74,-36.97,;10.98,-38.3,;11.74,-39.64,;13.27,-39.65,;14.03,-40.99,;13.25,-42.32,;11.71,-42.3,;10.93,-43.62,;11.69,-44.96,;10.91,-46.29,;13.24,-44.97,;14.01,-43.64,;14.05,-38.32,;15.59,-38.33,;9.44,-38.29,;8.66,-39.62,;7.12,-39.62,;6.36,-38.27,;7.13,-36.94,;8.67,-36.95,)| Show InChI InChI=1S/C25H26FN3O2/c1-17-7-13-21(14-8-17)27-24(30)22-15-23(19-5-3-2-4-6-19)28-29(25(22)31)16-18-9-11-20(26)12-10-18/h2-6,9-12,15,17,21H,7-8,13-14,16H2,1H3,(H,27,30)/t17-,21-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	322	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50232934 (CHEMBL4098746) Show SMILES O=C(NC1CCCCCC1)c1cc(nn(C2CCCC2)c1=O)-c1ccccc1 Show InChI InChI=1S/C23H29N3O2/c27-22(24-18-12-6-1-2-7-13-18)20-16-21(17-10-4-3-5-11-17)25-26(23(20)28)19-14-8-9-15-19/h3-5,10-11,16,18-19H,1-2,6-9,12-15H2,(H,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	365	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50232942 (CHEMBL4077875) Show SMILES Fc1ccc(Cn2nc(cc(C(=O)NC3CCCCC3)c2=O)-c2ccccc2)cc1 Show InChI InChI=1S/C24H24FN3O2/c25-19-13-11-17(12-14-19)16-28-24(30)21(23(29)26-20-9-5-2-6-10-20)15-22(27-28)18-7-3-1-4-8-18/h1,3-4,7-8,11-15,20H,2,5-6,9-10,16H2,(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	467	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50232944 (CHEMBL4094331) Show SMILES Cc1ccc(Cn2nc(cc(C(=O)NC3CCCCC3)c2=O)-c2ccc(Cl)c(C)c2)cc1 Show InChI InChI=1S/C26H28ClN3O2/c1-17-8-10-19(11-9-17)16-30-26(32)22(25(31)28-21-6-4-3-5-7-21)15-24(29-30)20-12-13-23(27)18(2)14-20/h8-15,21H,3-7,16H2,1-2H3,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50232941 (CHEMBL4084087) Show SMILES Cc1cc(ccc1Cl)-c1cc(C(=O)NC2CCCCC2)c(=O)n(Cc2ccc(F)cc2)n1 Show InChI InChI=1S/C25H25ClFN3O2/c1-16-13-18(9-12-22(16)26)23-14-21(24(31)28-20-5-3-2-4-6-20)25(32)30(29-23)15-17-7-10-19(27)11-8-17/h7-14,20H,2-6,15H2,1H3,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50232930 (CHEMBL4067246) Show SMILES [H][C@@]12CC[C@@](C)(C1)[C@H](NC(=O)c1cc(nn(Cc3ccc(F)cc3)c1=O)-c1ccc(Cl)c(C)c1)C2(C)C |r| Show InChI InChI=1S/C29H31ClFN3O2/c1-17-13-19(7-10-23(17)30)24-14-22(26(36)34(33-24)16-18-5-8-21(31)9-6-18)25(35)32-27-28(2,3)20-11-12-29(27,4)15-20/h5-10,13-14,20,27H,11-12,15-16H2,1-4H3,(H,32,35)/t20-,27-,29+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50232943 (CHEMBL4090242) Show SMILES Fc1ccc(Cn2nc-3c(Cc4ccccc-34)c(C(=O)NC3CCCCCC3)c2=O)cc1 Show InChI InChI=1S/C26H26FN3O2/c27-19-13-11-17(12-14-19)16-30-26(32)23(25(31)28-20-8-3-1-2-4-9-20)22-15-18-7-5-6-10-21(18)24(22)29-30/h5-7,10-14,20H,1-4,8-9,15-16H2,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50232931 (CHEMBL4091845) Show SMILES Cc1cc(ccc1Cl)-c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n(Cc2ccc(F)cc2)n1 |THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20| Show InChI InChI=1S/C29H29ClFN3O2/c1-17-8-22(4-7-25(17)30)26-12-24(28(36)34(33-26)16-18-2-5-23(31)6-3-18)27(35)32-29-13-19-9-20(14-29)11-21(10-19)15-29/h2-8,12,19-21H,9-11,13-16H2,1H3,(H,32,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50232929 (CHEMBL4085733) Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nn(Cc2ccc(F)cc2)c1=O)-c1ccc(Cl)c(C)c1 |r,wU:1.0,wD:4.7,(52.61,-29.16,;51.83,-30.49,;52.58,-31.83,;51.8,-33.15,;50.26,-33.13,;49.5,-31.8,;50.29,-30.47,;49.48,-34.46,;47.94,-34.45,;47.18,-33.11,;47.16,-35.77,;45.62,-35.76,;44.85,-37.09,;45.61,-38.43,;47.14,-38.44,;47.9,-39.78,;47.12,-41.11,;45.58,-41.09,;44.8,-42.42,;45.56,-43.76,;44.79,-45.09,;47.11,-43.77,;47.89,-42.44,;47.93,-37.11,;49.47,-37.13,;43.31,-37.08,;42.54,-35.74,;41,-35.74,;40.23,-37.06,;38.69,-37.06,;40.99,-38.41,;40.21,-39.74,;42.53,-38.42,)| Show InChI InChI=1S/C26H27ClFN3O2/c1-16-3-10-21(11-4-16)29-25(32)22-14-24(19-7-12-23(27)17(2)13-19)30-31(26(22)33)15-18-5-8-20(28)9-6-18/h5-9,12-14,16,21H,3-4,10-11,15H2,1-2H3,(H,29,32)/t16-,21-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50232938 (CHEMBL4088509) Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc(nn(Cc2ccc(F)cc2)c1=O)-c1ccc(Cl)c(C)c1 |r,wU:4.7,1.0,(53.55,-14.07,;52.76,-15.39,;53.52,-16.73,;52.74,-18.05,;51.2,-18.03,;50.43,-16.7,;51.22,-15.38,;50.42,-19.36,;48.88,-19.35,;48.12,-18.01,;48.1,-20.68,;46.55,-20.66,;45.78,-21.99,;46.55,-23.33,;48.08,-23.34,;48.84,-24.68,;48.06,-26.01,;46.52,-26,;45.74,-27.32,;46.5,-28.66,;45.72,-29.99,;48.05,-28.67,;48.82,-27.34,;48.86,-22.02,;50.4,-22.03,;44.25,-21.99,;43.48,-20.64,;41.94,-20.64,;41.16,-21.97,;39.62,-21.96,;41.93,-23.31,;41.15,-24.64,;43.47,-23.32,)| Show InChI InChI=1S/C26H27ClFN3O2/c1-16-3-10-21(11-4-16)29-25(32)22-14-24(19-7-12-23(27)17(2)13-19)30-31(26(22)33)15-18-5-8-20(28)9-6-18/h5-9,12-14,16,21H,3-4,10-11,15H2,1-2H3,(H,29,32)/t16-,21+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50232943 (CHEMBL4090242) Show SMILES Fc1ccc(Cn2nc-3c(Cc4ccccc-34)c(C(=O)NC3CCCCCC3)c2=O)cc1 Show InChI InChI=1S/C26H26FN3O2/c27-19-13-11-17(12-14-19)16-30-26(32)23(25(31)28-20-8-3-1-2-4-9-20)22-15-18-7-5-6-10-21(18)24(22)29-30/h5-7,10-14,20H,1-4,8-9,15-16H2,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50232940 (CHEMBL4071007) Show SMILES Cc1cc(ccc1Cl)-c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)n1 Show InChI InChI=1S/C26H27ClFN3O2/c1-17-14-19(10-13-23(17)27)24-15-22(25(32)29-21-6-4-2-3-5-7-21)26(33)31(30-24)16-18-8-11-20(28)12-9-18/h8-15,21H,2-7,16H2,1H3,(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50232928 (CHEMBL4064165) Show SMILES Cc1cc(ccc1Cl)-c1cc(C(=O)NCCN2CCOCC2)c(=O)n(Cc2ccc(F)cc2)n1 Show InChI InChI=1S/C25H26ClFN4O3/c1-17-14-19(4-7-22(17)26)23-15-21(24(32)28-8-9-30-10-12-34-13-11-30)25(33)31(29-23)16-18-2-5-20(27)6-3-18/h2-7,14-15H,8-13,16H2,1H3,(H,28,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50232938 (CHEMBL4088509) Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc(nn(Cc2ccc(F)cc2)c1=O)-c1ccc(Cl)c(C)c1 |r,wU:4.7,1.0,(53.55,-14.07,;52.76,-15.39,;53.52,-16.73,;52.74,-18.05,;51.2,-18.03,;50.43,-16.7,;51.22,-15.38,;50.42,-19.36,;48.88,-19.35,;48.12,-18.01,;48.1,-20.68,;46.55,-20.66,;45.78,-21.99,;46.55,-23.33,;48.08,-23.34,;48.84,-24.68,;48.06,-26.01,;46.52,-26,;45.74,-27.32,;46.5,-28.66,;45.72,-29.99,;48.05,-28.67,;48.82,-27.34,;48.86,-22.02,;50.4,-22.03,;44.25,-21.99,;43.48,-20.64,;41.94,-20.64,;41.16,-21.97,;39.62,-21.96,;41.93,-23.31,;41.15,-24.64,;43.47,-23.32,)| Show InChI InChI=1S/C26H27ClFN3O2/c1-16-3-10-21(11-4-16)29-25(32)22-14-24(19-7-12-23(27)17(2)13-19)30-31(26(22)33)15-18-5-8-20(28)9-6-18/h5-9,12-14,16,21H,3-4,10-11,15H2,1-2H3,(H,29,32)/t16-,21+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Inverse agonist activity at human CB2 receptor expressed in HEK293 EBNA cell membranes after 30 mins by [35S]-GTPgammaS binding assay				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50232941 (CHEMBL4084087) Show SMILES Cc1cc(ccc1Cl)-c1cc(C(=O)NC2CCCCC2)c(=O)n(Cc2ccc(F)cc2)n1 Show InChI InChI=1S/C25H25ClFN3O2/c1-16-13-18(9-12-22(16)26)23-14-21(24(31)28-20-5-3-2-4-6-20)25(32)30(29-23)15-17-7-10-19(27)11-8-17/h7-14,20H,2-6,15H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Inverse agonist activity at human CB2 receptor expressed in HEK293 EBNA cell membranes after 30 mins by [35S]-GTPgammaS binding assay				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50232933 (CHEMBL4094388) Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc(nn(Cc2ccc(F)cc2)c1=O)-c1ccccc1 |r,wU:4.7,1.0,(18.4,-15.46,;17.62,-16.78,;18.37,-18.12,;17.59,-19.44,;16.06,-19.42,;15.29,-18.09,;16.08,-16.77,;15.27,-20.75,;13.73,-20.74,;12.97,-19.4,;12.95,-22.07,;11.4,-22.05,;10.64,-23.39,;11.39,-24.73,;12.93,-24.74,;13.69,-26.08,;12.91,-27.41,;11.37,-27.39,;10.59,-28.71,;11.35,-30.05,;10.57,-31.38,;12.9,-30.06,;13.67,-28.73,;13.71,-23.41,;15.25,-23.42,;9.1,-23.38,;8.32,-24.71,;6.78,-24.7,;6.02,-23.36,;6.79,-22.03,;8.32,-22.03,)| Show InChI InChI=1S/C25H26FN3O2/c1-17-7-13-21(14-8-17)27-24(30)22-15-23(19-5-3-2-4-6-19)28-29(25(22)31)16-18-9-11-20(26)12-10-18/h2-6,9-12,15,17,21H,7-8,13-14,16H2,1H3,(H,27,30)/t17-,21+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Inverse agonist activity at human CB2 receptor expressed in HEK293 EBNA cell membranes after 30 mins by [35S]-GTPgammaS binding assay				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50232930 (CHEMBL4067246) Show SMILES [H][C@@]12CC[C@@](C)(C1)[C@H](NC(=O)c1cc(nn(Cc3ccc(F)cc3)c1=O)-c1ccc(Cl)c(C)c1)C2(C)C |r| Show InChI InChI=1S/C29H31ClFN3O2/c1-17-13-19(7-10-23(17)30)24-14-22(26(36)34(33-24)16-18-5-8-21(31)9-6-18)25(35)32-27-28(2,3)20-11-12-29(27,4)15-20/h5-10,13-14,20,27H,11-12,15-16H2,1-4H3,(H,32,35)/t20-,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Inverse agonist activity at human CB2 receptor expressed in HEK293 EBNA cell membranes after 30 mins by [35S]-GTPgammaS binding assay				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50232936 (CHEMBL4071738) Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(nn(C2CCCC2)c1=O)-c1ccccc1 |THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9| Show InChI InChI=1S/C26H31N3O2/c30-24(27-26-14-17-10-18(15-26)12-19(11-17)16-26)22-13-23(20-6-2-1-3-7-20)28-29(25(22)31)21-8-4-5-9-21/h1-3,6-7,13,17-19,21H,4-5,8-12,14-16H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Inverse agonist activity at human CB2 receptor expressed in HEK293 EBNA cell membranes after 30 mins by [35S]-GTPgammaS binding assay				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50200170 (5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...) Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](C3)C2(C)C)cc1 |r| 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)/t22-,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Inverse agonist activity at human CB2 receptor expressed in HEK293 EBNA cell membranes after 30 mins by [35S]-GTPgammaS binding assay				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50232937 (CHEMBL4086649) Show SMILES Cc1ccc(cc1Cl)-c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n(n1)C1CCCC1 |THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20| Show InChI InChI=1S/C27H32ClN3O2/c1-16-6-7-20(11-23(16)28)24-12-22(26(33)31(30-24)21-4-2-3-5-21)25(32)29-27-13-17-8-18(14-27)10-19(9-17)15-27/h6-7,11-12,17-19,21H,2-5,8-10,13-15H2,1H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	296	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Inverse agonist activity at human CB2 receptor expressed in HEK293 EBNA cell membranes after 30 mins by [35S]-GTPgammaS binding assay				Eur J Med Chem 127: 398-412 (2017) Article DOI: 10.1016/j.ejmech.2017.01.002 BindingDB Entry DOI: 10.7270/Q26W9D9V
					More data for this Ligand-Target Pair