Compile Data Set for Download or QSAR

Found 58 hits Enz. Inhib. hit(s) with all data for entry = 50032179   

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))	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 UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (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 NCI pathway 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	1.36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325599 (3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC(C)(C)c1ccccc1 |t:5| Show InChI InChI=1S/C24H31N3O/c1-4-5-8-17-22-21(19-13-9-6-10-14-19)18-27(26-22)23(28)25-24(2,3)20-15-11-7-12-16-20/h6-7,9-16,21H,4-5,8,17-18H2,1-3H3,(H,25,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325587 (3-butyl-5,5-dimethyl-4-phenyl-N-((1R,2S,4R)-1,7,7-...) Show SMILES CCCCC1=NN(C(=O)N[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)C(C)(C)C1c1ccccc1 |r,t:4| Show InChI InChI=1S/C26H39N3O/c1-7-8-14-20-22(18-12-10-9-11-13-18)25(4,5)29(28-20)23(30)27-21-17-19-15-16-26(21,6)24(19,2)3/h9-13,19,21-22H,7-8,14-17H2,1-6H3,(H,27,30)/t19-,21+,22?,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325590 (1-pentyl-5-phenyl-N-((1R,2S,4R)-1,7,7-trimethylbic...) Show SMILES CCCCCN1N=C(CC1c1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,c:6,THB:18:19:26:22.23| Show InChI InChI=1S/C25H37N3O/c1-5-6-10-15-28-21(18-11-8-7-9-12-18)17-20(27-28)23(29)26-22-16-19-13-14-25(22,4)24(19,2)3/h7-9,11-12,19,21-22H,5-6,10,13-17H2,1-4H3,(H,26,29)/t19-,21?,22+,25+/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	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325584 ((+)-3-pentyl-4-phenyl-N-((1R,2S,4S)-1,7,7-trimethy...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,t:5| Show InChI InChI=1S/C25H37N3O/c1-5-6-8-13-21-20(18-11-9-7-10-12-18)17-28(27-21)23(29)26-22-16-19-14-15-25(22,4)24(19,2)3/h7,9-12,19-20,22H,5-6,8,13-17H2,1-4H3,(H,26,29)/t19-,20?,22+,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325591 (5-(2-fluorophenyl)-1-pentyl-N-((1R,2S,4R)-1,7,7-tr...) Show SMILES CCCCCN1N=C(CC1c1ccccc1F)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,c:6,THB:19:20:27:23.24| Show InChI InChI=1S/C25H36FN3O/c1-5-6-9-14-29-21(18-10-7-8-11-19(18)26)16-20(28-29)23(30)27-22-15-17-12-13-25(22,4)24(17,2)3/h7-8,10-11,17,21-22H,5-6,9,12-16H2,1-4H3,(H,27,30)/t17-,21?,22+,25+/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	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325597 (3-Pentyl-4-phenyl-4,5-dihydro-pyraz ole-1-carboxyl...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 |t:5,TLB:28:27:25:21.22.23,THB:28:22:19.27.26:25,23:22:19:26.24.25,23:24:19:21.28.22,18:19:25:21.22.23,(10.83,-.95,;12.36,-.79,;13.27,-2.03,;14.8,-1.87,;15.71,-3.12,;17.24,-2.96,;18.27,-4.1,;19.67,-3.48,;19.51,-1.94,;18.01,-1.62,;17.38,-.22,;18.29,1.03,;17.66,2.44,;16.13,2.6,;15.22,1.35,;15.85,-.06,;21.01,-4.25,;21.01,-5.79,;22.34,-3.47,;23.84,-3.82,;25.59,-3.75,;26.2,-5.02,;27.44,-5.75,;28.52,-4.67,;27.92,-3.29,;26.63,-2.68,;26.32,-3.44,;25.21,-4.58,;25.82,-5.96,)| Show InChI InChI=1S/C25H35N3O/c1-2-3-5-10-23-22(19-8-6-4-7-9-19)16-28(27-23)25(29)26-24-20-12-17-11-18(14-20)15-21(24)13-17/h4,6-9,17-18,20-22,24H,2-3,5,10-16H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325597 (3-Pentyl-4-phenyl-4,5-dihydro-pyraz ole-1-carboxyl...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 |t:5,TLB:28:27:25:21.22.23,THB:28:22:19.27.26:25,23:22:19:26.24.25,23:24:19:21.28.22,18:19:25:21.22.23,(10.83,-.95,;12.36,-.79,;13.27,-2.03,;14.8,-1.87,;15.71,-3.12,;17.24,-2.96,;18.27,-4.1,;19.67,-3.48,;19.51,-1.94,;18.01,-1.62,;17.38,-.22,;18.29,1.03,;17.66,2.44,;16.13,2.6,;15.22,1.35,;15.85,-.06,;21.01,-4.25,;21.01,-5.79,;22.34,-3.47,;23.84,-3.82,;25.59,-3.75,;26.2,-5.02,;27.44,-5.75,;28.52,-4.67,;27.92,-3.29,;26.63,-2.68,;26.32,-3.44,;25.21,-4.58,;25.82,-5.96,)| Show InChI InChI=1S/C25H35N3O/c1-2-3-5-10-23-22(19-8-6-4-7-9-19)16-28(27-23)25(29)26-24-20-12-17-11-18(14-20)15-21(24)13-17/h4,6-9,17-18,20-22,24H,2-3,5,10-16H2,1H3,(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325588 (1-Pentyl-5-phenyl-4,5-dihydro-1H-pyrazole-3-carbox...) Show SMILES CCCCCN1N=C(CC1c1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 |c:6,TLB:25:24:28:21.20.19,25:20:23.24.26:28,THB:19:20:23:26.27.28,19:27:23:21.25.20,18:19:23.24.26:28,(-3.84,1.82,;-2.42,1.21,;-2.25,-.31,;-.85,-.92,;-.67,-2.44,;.73,-3.05,;1.06,-4.55,;2.6,-4.7,;3.23,-3.3,;2.07,-2.26,;2.22,-.73,;3.64,-.09,;3.79,1.45,;2.53,2.36,;1.1,1.71,;.96,.17,;3.36,-6.02,;2.6,-7.35,;4.9,-6.02,;6.11,-6.95,;7.55,-6.46,;8.33,-7.66,;8.3,-9.07,;9.89,-9.77,;9.01,-8.5,;9.08,-7,;7.52,-9.02,;6.03,-8.45,;6.91,-9.56,)| Show InChI InChI=1S/C25H35N3O/c1-2-3-7-10-28-23(19-8-5-4-6-9-19)16-22(27-28)25(29)26-24-20-12-17-11-18(14-20)15-21(24)13-17/h4-6,8-9,17-18,20-21,23-24H,2-3,7,10-16H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325584 ((+)-3-pentyl-4-phenyl-N-((1R,2S,4S)-1,7,7-trimethy...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,t:5| Show InChI InChI=1S/C25H37N3O/c1-5-6-8-13-21-20(18-11-9-7-10-12-18)17-28(27-21)23(29)26-22-16-19-14-15-25(22,4)24(19,2)3/h7,9-12,19-20,22H,5-6,8,13-17H2,1-4H3,(H,26,29)/t19-,20?,22+,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325592 (3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)Nc1cccc2ccccc12 |t:5| Show InChI InChI=1S/C25H27N3O/c1-2-3-5-16-24-22(20-11-6-4-7-12-20)18-28(27-24)25(29)26-23-17-10-14-19-13-8-9-15-21(19)23/h4,6-15,17,22H,2-3,5,16,18H2,1H3,(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325584 ((+)-3-pentyl-4-phenyl-N-((1R,2S,4S)-1,7,7-trimethy...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,t:5| Show InChI InChI=1S/C25H37N3O/c1-5-6-8-13-21-20(18-11-9-7-10-12-18)17-28(27-21)23(29)26-22-16-19-14-15-25(22,4)24(19,2)3/h7,9-12,19-20,22H,5-6,8,13-17H2,1-4H3,(H,26,29)/t19-,20?,22+,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325595 (3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |t:5,THB:19:20:23:27.25.26,25:24:21:27.26.28,25:26:23.24.29:21,28:26:23:29.20.21,28:20:23:27.25.26| Show InChI InChI=1S/C26H37N3O/c1-2-3-5-10-24-23(22-8-6-4-7-9-22)17-29(28-24)25(30)27-18-26-14-19-11-20(15-26)13-21(12-19)16-26/h4,6-9,19-21,23H,2-3,5,10-18H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325584 ((+)-3-pentyl-4-phenyl-N-((1R,2S,4S)-1,7,7-trimethy...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,t:5| Show InChI InChI=1S/C25H37N3O/c1-5-6-8-13-21-20(18-11-9-7-10-12-18)17-28(27-21)23(29)26-22-16-19-14-15-25(22,4)24(19,2)3/h7,9-12,19-20,22H,5-6,8,13-17H2,1-4H3,(H,26,29)/t19-,20?,22+,25+/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	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325586 (3-butyl-5,5-dimethyl-4-phenyl-N-(2-phenylpropan-2-...) Show SMILES CCCCC1=NN(C(=O)NC(C)(C)c2ccccc2)C(C)(C)C1c1ccccc1 |t:4| Show InChI InChI=1S/C25H33N3O/c1-6-7-18-21-22(19-14-10-8-11-15-19)25(4,5)28(27-21)23(29)26-24(2,3)20-16-12-9-13-17-20/h8-17,22H,6-7,18H2,1-5H3,(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					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	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325591 (5-(2-fluorophenyl)-1-pentyl-N-((1R,2S,4R)-1,7,7-tr...) Show SMILES CCCCCN1N=C(CC1c1ccccc1F)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,c:6,THB:19:20:27:23.24| Show InChI InChI=1S/C25H36FN3O/c1-5-6-9-14-29-21(18-10-7-8-11-19(18)26)16-20(28-29)23(30)27-22-15-17-12-13-25(22,4)24(17,2)3/h7-8,10-11,17,21-22H,5-6,9,12-16H2,1-4H3,(H,27,30)/t17-,21?,22+,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325588 (1-Pentyl-5-phenyl-4,5-dihydro-1H-pyrazole-3-carbox...) Show SMILES CCCCCN1N=C(CC1c1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 |c:6,TLB:25:24:28:21.20.19,25:20:23.24.26:28,THB:19:20:23:26.27.28,19:27:23:21.25.20,18:19:23.24.26:28,(-3.84,1.82,;-2.42,1.21,;-2.25,-.31,;-.85,-.92,;-.67,-2.44,;.73,-3.05,;1.06,-4.55,;2.6,-4.7,;3.23,-3.3,;2.07,-2.26,;2.22,-.73,;3.64,-.09,;3.79,1.45,;2.53,2.36,;1.1,1.71,;.96,.17,;3.36,-6.02,;2.6,-7.35,;4.9,-6.02,;6.11,-6.95,;7.55,-6.46,;8.33,-7.66,;8.3,-9.07,;9.89,-9.77,;9.01,-8.5,;9.08,-7,;7.52,-9.02,;6.03,-8.45,;6.91,-9.56,)| Show InChI InChI=1S/C25H35N3O/c1-2-3-7-10-28-23(19-8-5-4-6-9-19)16-22(27-28)25(29)26-24-20-12-17-11-18(14-20)15-21(24)13-17/h4-6,8-9,17-18,20-21,23-24H,2-3,7,10-16H2,1H3,(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325581 (CHEMBL1223648 | N-cyclooctyl-3-pentyl-4-phenyl-4,5...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC1CCCCCCC1 |t:5| Show InChI InChI=1S/C23H35N3O/c1-2-3-8-17-22-21(19-13-9-7-10-14-19)18-26(25-22)23(27)24-20-15-11-5-4-6-12-16-20/h7,9-10,13-14,20-21H,2-6,8,11-12,15-18H2,1H3,(H,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325586 (3-butyl-5,5-dimethyl-4-phenyl-N-(2-phenylpropan-2-...) Show SMILES CCCCC1=NN(C(=O)NC(C)(C)c2ccccc2)C(C)(C)C1c1ccccc1 |t:4| Show InChI InChI=1S/C25H33N3O/c1-6-7-18-21-22(19-14-10-8-11-15-19)25(4,5)28(27-21)23(29)26-24(2,3)20-16-12-9-13-17-20/h8-17,22H,6-7,18H2,1-5H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325596 (CHEMBL1224631 | N-(((1S,2R,5S)-6,6-dimethylbicyclo...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C |r,t:5,TLB:19:20:24:26| Show InChI InChI=1S/C25H37N3O/c1-4-5-7-12-23-21(18-10-8-6-9-11-18)17-28(27-23)24(29)26-16-19-13-14-20-15-22(19)25(20,2)3/h6,8-11,19-22H,4-5,7,12-17H2,1-3H3,(H,26,29)/t19-,20-,21?,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325575 (3-butyl-4-phenyl-N-(2-phenylpropan-2-yl)-4,5-dihyd...) Show SMILES CCCCC1=NN(CC1c1ccccc1)C(=O)NC(C)(C)c1ccccc1 |t:4| Show InChI InChI=1S/C23H29N3O/c1-4-5-16-21-20(18-12-8-6-9-13-18)17-26(25-21)22(27)24-23(2,3)19-14-10-7-11-15-19/h6-15,20H,4-5,16-17H2,1-3H3,(H,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325598 (3-Pentyl-4-phenyl-4,5-dihydro-pyraz ole-1-carboxyl...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |t:5,THB:18:19:22:26.24.25,24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25| Show InChI InChI=1S/C25H35N3O/c1-2-3-5-10-23-22(21-8-6-4-7-9-21)17-28(27-23)24(29)26-25-14-18-11-19(15-25)13-20(12-18)16-25/h4,6-9,18-20,22H,2-3,5,10-17H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325583 (3-pentyl-4-phenyl-N-(2-(trifluoromethyl)phenyl)-4,...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)Nc1ccccc1C(F)(F)F |t:5| Show InChI InChI=1S/C22H24F3N3O/c1-2-3-5-13-19-17(16-10-6-4-7-11-16)15-28(27-19)21(29)26-20-14-9-8-12-18(20)22(23,24)25/h4,6-12,14,17H,2-3,5,13,15H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325580 (CHEMBL1223647 | N-cycloheptyl-3-pentyl-4-phenyl-4,...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC1CCCCCC1 |t:5| Show InChI InChI=1S/C22H33N3O/c1-2-3-7-16-21-20(18-12-8-6-9-13-18)17-25(24-21)22(26)23-19-14-10-4-5-11-15-19/h6,8-9,12-13,19-20H,2-5,7,10-11,14-17H2,1H3,(H,23,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325594 (3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NCC1CCCCC1 |t:5| Show InChI InChI=1S/C22H33N3O/c1-2-3-6-15-21-20(19-13-9-5-10-14-19)17-25(24-21)22(26)23-16-18-11-7-4-8-12-18/h5,9-10,13-14,18,20H,2-4,6-8,11-12,15-17H2,1H3,(H,23,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325596 (CHEMBL1224631 | N-(((1S,2R,5S)-6,6-dimethylbicyclo...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C |r,t:5,TLB:19:20:24:26| Show InChI InChI=1S/C25H37N3O/c1-4-5-7-12-23-21(18-10-8-6-9-11-18)17-28(27-23)24(29)26-16-19-13-14-20-15-22(19)25(20,2)3/h6,8-11,19-22H,4-5,7,12-17H2,1-3H3,(H,26,29)/t19-,20-,21?,22-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325587 (3-butyl-5,5-dimethyl-4-phenyl-N-((1R,2S,4R)-1,7,7-...) Show SMILES CCCCC1=NN(C(=O)N[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)C(C)(C)C1c1ccccc1 |r,t:4| Show InChI InChI=1S/C26H39N3O/c1-7-8-14-20-22(18-12-10-9-11-13-18)25(4,5)29(28-20)23(30)27-21-17-19-15-16-26(21,6)24(19,2)3/h9-13,19,21-22H,7-8,14-17H2,1-6H3,(H,27,30)/t19-,21+,22?,26+/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	16.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325595 (3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |t:5,THB:19:20:23:27.25.26,25:24:21:27.26.28,25:26:23.24.29:21,28:26:23:29.20.21,28:20:23:27.25.26| Show InChI InChI=1S/C26H37N3O/c1-2-3-5-10-24-23(22-8-6-4-7-9-22)17-29(28-24)25(30)27-18-26-14-19-11-20(15-26)13-21(12-19)16-26/h4,6-9,19-21,23H,2-3,5,10-18H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325599 (3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC(C)(C)c1ccccc1 |t:5| Show InChI InChI=1S/C24H31N3O/c1-4-5-8-17-22-21(19-13-9-6-10-14-19)18-27(26-22)23(28)25-24(2,3)20-15-11-7-12-16-20/h6-7,9-16,21H,4-5,8,17-18H2,1-3H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325578 (3-butyl-N-(2-phenylpropan-2-yl)-4-(thiophen-3-yl)-...) Show SMILES CCCCC1=NN(CC1c1ccsc1)C(=O)NC(C)(C)c1ccccc1 |t:4| Show InChI InChI=1S/C21H27N3OS/c1-4-5-11-19-18(16-12-13-26-15-16)14-24(23-19)20(25)22-21(2,3)17-9-7-6-8-10-17/h6-10,12-13,15,18H,4-5,11,14H2,1-3H3,(H,22,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	19.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325580 (CHEMBL1223647 | N-cycloheptyl-3-pentyl-4-phenyl-4,...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC1CCCCCC1 |t:5| Show InChI InChI=1S/C22H33N3O/c1-2-3-7-16-21-20(18-12-8-6-9-13-18)17-25(24-21)22(26)23-19-14-10-4-5-11-15-19/h6,8-9,12-13,19-20H,2-5,7,10-11,14-17H2,1H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	19.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325590 (1-pentyl-5-phenyl-N-((1R,2S,4R)-1,7,7-trimethylbic...) Show SMILES CCCCCN1N=C(CC1c1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,c:6,THB:18:19:26:22.23| Show InChI InChI=1S/C25H37N3O/c1-5-6-10-15-28-21(18-11-8-7-9-12-18)17-20(27-28)23(29)26-22-16-19-13-14-25(22,4)24(19,2)3/h7-9,11-12,19,21-22H,5-6,10,13-17H2,1-4H3,(H,26,29)/t19-,21?,22+,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325582 (3-pentyl-4-phenyl-N-(1,2,3,4-tetrahydronaphthalen-...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC1CCCc2ccccc12 |t:5| Show InChI InChI=1S/C25H31N3O/c1-2-3-5-16-24-22(20-11-6-4-7-12-20)18-28(27-24)25(29)26-23-17-10-14-19-13-8-9-15-21(19)23/h4,6-9,11-13,15,22-23H,2-3,5,10,14,16-18H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325581 (CHEMBL1223648 | N-cyclooctyl-3-pentyl-4-phenyl-4,5...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC1CCCCCCC1 |t:5| Show InChI InChI=1S/C23H35N3O/c1-2-3-8-17-22-21(19-13-9-7-10-14-19)18-26(25-22)23(27)24-20-15-11-5-4-6-12-16-20/h7,9-10,13-14,20-21H,2-6,8,11-12,15-18H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	26.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325584 ((+)-3-pentyl-4-phenyl-N-((1R,2S,4S)-1,7,7-trimethy...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,t:5| Show InChI InChI=1S/C25H37N3O/c1-5-6-8-13-21-20(18-11-9-7-10-12-18)17-28(27-21)23(29)26-22-16-19-14-15-25(22,4)24(19,2)3/h7,9-12,19-20,22H,5-6,8,13-17H2,1-4H3,(H,26,29)/t19-,20?,22+,25+/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	28.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325584 ((+)-3-pentyl-4-phenyl-N-((1R,2S,4S)-1,7,7-trimethy...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,t:5| Show InChI InChI=1S/C25H37N3O/c1-5-6-8-13-21-20(18-11-9-7-10-12-18)17-28(27-21)23(29)26-22-16-19-14-15-25(22,4)24(19,2)3/h7,9-12,19-20,22H,5-6,8,13-17H2,1-4H3,(H,26,29)/t19-,20?,22+,25+/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	28.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325577 (3-butyl-4-(2-fluorophenyl)-N-(2-(4-fluorophenyl)pr...) Show SMILES CCCCC1=NN(CC1c1ccccc1F)C(=O)NC(C)(C)c1ccc(F)cc1 |t:4| Show InChI InChI=1S/C23H27F2N3O/c1-4-5-10-21-19(18-8-6-7-9-20(18)25)15-28(27-21)22(29)26-23(2,3)16-11-13-17(24)14-12-16/h6-9,11-14,19H,4-5,10,15H2,1-3H3,(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325582 (3-pentyl-4-phenyl-N-(1,2,3,4-tetrahydronaphthalen-...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC1CCCc2ccccc12 |t:5| Show InChI InChI=1S/C25H31N3O/c1-2-3-5-16-24-22(20-11-6-4-7-12-20)18-28(27-24)25(29)26-23-17-10-14-19-13-8-9-15-21(19)23/h4,6-9,11-13,15,22-23H,2-3,5,10,14,16-18H2,1H3,(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	33.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325575 (3-butyl-4-phenyl-N-(2-phenylpropan-2-yl)-4,5-dihyd...) Show SMILES CCCCC1=NN(CC1c1ccccc1)C(=O)NC(C)(C)c1ccccc1 |t:4| Show InChI InChI=1S/C23H29N3O/c1-4-5-16-21-20(18-12-8-6-9-13-18)17-26(25-21)22(27)24-23(2,3)19-14-10-7-11-15-19/h6-15,20H,4-5,16-17H2,1-3H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	35.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325592 (3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)Nc1cccc2ccccc12 |t:5| Show InChI InChI=1S/C25H27N3O/c1-2-3-5-16-24-22(20-11-6-4-7-12-20)18-28(27-24)25(29)26-23-17-10-14-19-13-8-9-15-21(19)23/h4,6-15,17,22H,2-3,5,16,18H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	36.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325576 (3-butyl-4-(3-fluorophenyl)-N-(2-(4-fluorophenyl)pr...) Show SMILES CCCCC1=NN(CC1c1cccc(F)c1)C(=O)NC(C)(C)c1ccc(F)cc1 |t:4| Show InChI InChI=1S/C23H27F2N3O/c1-4-5-9-21-20(16-7-6-8-19(25)14-16)15-28(27-21)22(29)26-23(2,3)17-10-12-18(24)13-11-17/h6-8,10-14,20H,4-5,9,15H2,1-3H3,(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	44.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325593 (3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NCc1ccccc1 |t:5| Show InChI InChI=1S/C22H27N3O/c1-2-3-6-15-21-20(19-13-9-5-10-14-19)17-25(24-21)22(26)23-16-18-11-7-4-8-12-18/h4-5,7-14,20H,2-3,6,15-17H2,1H3,(H,23,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325579 (CHEMBL1223646 | N-cyclohexyl-3-pentyl-4-phenyl-4,5...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC1CCCCC1 |t:5| Show InChI InChI=1S/C21H31N3O/c1-2-3-6-15-20-19(17-11-7-4-8-12-17)16-24(23-20)21(25)22-18-13-9-5-10-14-18/h4,7-8,11-12,18-19H,2-3,5-6,9-10,13-16H2,1H3,(H,22,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325594 (3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NCC1CCCCC1 |t:5| Show InChI InChI=1S/C22H33N3O/c1-2-3-6-15-21-20(19-13-9-5-10-14-19)17-25(24-21)22(26)23-16-18-11-7-4-8-12-18/h5,9-10,13-14,18,20H,2-4,6-8,11-12,15-17H2,1H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325578 (3-butyl-N-(2-phenylpropan-2-yl)-4-(thiophen-3-yl)-...) Show SMILES CCCCC1=NN(CC1c1ccsc1)C(=O)NC(C)(C)c1ccccc1 |t:4| Show InChI InChI=1S/C21H27N3OS/c1-4-5-11-19-18(16-12-13-26-15-16)14-24(23-19)20(25)22-21(2,3)17-9-7-6-8-10-17/h6-10,12-13,15,18H,4-5,11,14H2,1-3H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325598 (3-Pentyl-4-phenyl-4,5-dihydro-pyraz ole-1-carboxyl...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |t:5,THB:18:19:22:26.24.25,24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25| Show InChI InChI=1S/C25H35N3O/c1-2-3-5-10-23-22(21-8-6-4-7-9-21)17-28(27-23)24(29)26-25-14-18-11-19(15-25)13-20(12-18)16-25/h4,6-9,18-20,22H,2-3,5,10-17H2,1H3,(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325583 (3-pentyl-4-phenyl-N-(2-(trifluoromethyl)phenyl)-4,...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)Nc1ccccc1C(F)(F)F |t:5| Show InChI InChI=1S/C22H24F3N3O/c1-2-3-5-13-19-17(16-10-6-4-7-11-16)15-28(27-19)21(29)26-20-14-9-8-12-18(20)22(23,24)25/h4,6-12,14,17H,2-3,5,13,15H2,1H3,(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	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50325576 (3-butyl-4-(3-fluorophenyl)-N-(2-(4-fluorophenyl)pr...) Show SMILES CCCCC1=NN(CC1c1cccc(F)c1)C(=O)NC(C)(C)c1ccc(F)cc1 |t:4| Show InChI InChI=1S/C23H27F2N3O/c1-4-5-9-21-20(16-7-6-8-19(25)14-16)15-28(27-21)22(29)26-23(2,3)17-10-12-18(24)13-11-17/h6-8,10-14,20H,4-5,9,15H2,1-3H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
					More data for this Ligand-Target Pair

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