Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50009983   

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 (MOUSE)	BDBM50200169 (6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...) Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1 Show InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB2 receptor in CD-1 mouse spleen homogenate after 1 hr by liquid scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					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	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human frontal cortex CB2 receptor expressed in CHO cell membrane after 1 hr by scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM82141 (WIN 55212-2) Show SMILES CC1=C(C2C=CC=C3OC[C@@H](CN4CCOCC4)N1C23)C(=O)c1cccc2ccccc12 |r,c:4,t:1,6| Show InChI InChI=1S/C27H28N2O3/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/h2-11,20,23,26H,12-17H2,1H3/t20-,23?,26?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membrane after 60 mins by scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM82141 (WIN 55212-2) Show SMILES CC1=C(C2C=CC=C3OC[C@@H](CN4CCOCC4)N1C23)C(=O)c1cccc2ccccc12 |r,c:4,t:1,6| Show InChI InChI=1S/C27H28N2O3/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/h2-11,20,23,26H,12-17H2,1H3/t20-,23?,26?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO cell membrane after 90 mins by scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50534085 (CHEMBL4458732) Show SMILES Cc1ccc(cc1)-c1cc2ncccc2c2cc(nn12)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:26:27:24.25.30:31,THB:26:25:31:32.27.28,28:27:24:30.29.31,28:29:24:32.26.27| Show InChI InChI=1S/C28H28N4O/c1-17-4-6-21(7-5-17)25-12-23-22(3-2-8-29-23)26-13-24(31-32(25)26)27(33)30-28-14-18-9-19(15-28)11-20(10-18)16-28/h2-8,12-13,18-20H,9-11,14-16H2,1H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membrane after 60 mins by scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM60994 ((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...) Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM60994 ((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...) Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor (unknown origin)				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50534088 (CHEMBL4453164) Show SMILES Cc1ccc(cc1)-c1cc2ncccc2c2cc(nn12)C(=O)N[C@H]1CC2CCC1(C)C2(C)C |r,TLB:22:23:27.26:30| Show InChI InChI=1S/C28H30N4O/c1-17-7-9-18(10-8-17)23-15-21-20(6-5-13-29-21)24-16-22(31-32(23)24)26(33)30-25-14-19-11-12-28(25,4)27(19,2)3/h5-10,13,15-16,19,25H,11-12,14H2,1-4H3,(H,30,33)/t19?,25-,28?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membrane after 60 mins by scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50534082 (CHEMBL4448088) Show SMILES CC1(C)C2CC1[C@H](CNC(=O)c1cc3c4cccnc4cc(-c4ccc(Cl)cc4Cl)n3n1)CC2 |r,TLB:7:6:1:4| Show InChI InChI=1S/C27H26Cl2N4O/c1-27(2)16-6-5-15(20(27)10-16)14-31-26(34)23-13-25-19-4-3-9-30-22(19)12-24(33(25)32-23)18-8-7-17(28)11-21(18)29/h3-4,7-9,11-13,15-16,20H,5-6,10,14H2,1-2H3,(H,31,34)/t15-,16?,20?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membrane after 60 mins by scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM22988 ((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor (unknown origin)				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50534091 (CHEMBL4525460) Show SMILES Cc1ccc(cc1)-c1cc2ncccc2c2cc(nn12)C(=O)NC[C@@H]1CCC2CC1C2(C)C |r,THB:23:24:30:28| Show InChI InChI=1S/C28H30N4O/c1-17-6-8-18(9-7-17)25-14-23-21(5-4-12-29-23)26-15-24(31-32(25)26)27(33)30-16-19-10-11-20-13-22(19)28(20,2)3/h4-9,12,14-15,19-20,22H,10-11,13,16H2,1-3H3,(H,30,33)/t19-,20?,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membrane after 60 mins by scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50534090 (CHEMBL4528488) Show SMILES Cc1ccc(cc1)-c1cc2ncccc2c2cc(nn12)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:22:23:25:29.28.27,THB:23:24:27:32.31.30,23:31:25.24.29:27,30:31:25:29.28.27,30:28:25:32.23.31,(14.71,-21.04,;13.39,-20.25,;12.05,-21,;10.72,-20.21,;10.74,-18.67,;12.1,-17.92,;13.41,-18.71,;9.42,-17.89,;8.08,-18.64,;6.75,-17.85,;5.41,-18.6,;4.09,-17.81,;4.11,-16.27,;5.45,-15.52,;6.78,-16.31,;8.12,-15.56,;8.46,-14.06,;10,-13.92,;10.6,-15.33,;9.44,-16.35,;10.78,-12.6,;10.03,-11.24,;12.31,-12.6,;12.7,-11.11,;14.1,-10.54,;15.6,-10.95,;14.4,-9.68,;14.4,-8.2,;13.05,-7.73,;14.1,-8.96,;11.66,-8.31,;11.68,-9.84,;13.07,-10.18,)| Show InChI InChI=1S/C28H28N4O/c1-16-4-6-19(7-5-16)25-14-23-22(3-2-8-29-23)26-15-24(31-32(25)26)28(33)30-27-20-10-17-9-18(12-20)13-21(27)11-17/h2-8,14-15,17-18,20-21,27H,9-13H2,1H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membrane after 60 mins by scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50534089 (CHEMBL4549921) Show SMILES C[C@H]1CC2CC(C1NC(=O)c1cc3c4cccnc4cc(-c4ccc(C)cc4)n3n1)C2(C)C |r,TLB:7:6:4:30,THB:0:1:4:30| Show InChI InChI=1S/C28H30N4O/c1-16-7-9-18(10-8-16)24-14-22-20(6-5-11-29-22)25-15-23(31-32(24)25)27(33)30-26-17(2)12-19-13-21(26)28(19,3)4/h5-11,14-15,17,19,21,26H,12-13H2,1-4H3,(H,30,33)/t17-,19?,21?,26?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membrane after 60 mins by scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50534087 (CHEMBL4520356) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cc2c3cccnc3cc(-c3ccc(C)cc3)n2n1 |r| Show InChI InChI=1S/C28H32N4O/c1-17(2)21-12-9-19(4)14-24(21)30-28(33)25-16-27-22-6-5-13-29-23(22)15-26(32(27)31-25)20-10-7-18(3)8-11-20/h5-8,10-11,13,15-17,19,21,24H,9,12,14H2,1-4H3,(H,30,33)/t19-,21+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membrane after 60 mins by scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50200169 (6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...) Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1 Show InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	363	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB1 receptor in CD-1 mouse cerebellum membrane after 1 hr by liquid scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM22988 ((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	371	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from rat brain CB1 receptor after 1 hr by scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human U937 cell-derived CB1 receptor expressed in CHO cell membrane after 1 hr by scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM26144 (1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)CO Show InChI InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	472	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor (unknown origin)				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50534083 (CHEMBL4443516) Show SMILES Cc1ccc(cc1)-c1cc2ncccc2c2cc(nn12)C(=O)N[C@H]1C2(C)CCC(C2)C1(C)C |r,TLB:22:23:29:27.26| Show InChI InChI=1S/C28H30N4O/c1-17-7-9-18(10-8-17)23-14-21-20(6-5-13-29-21)24-15-22(31-32(23)24)25(33)30-26-27(2,3)19-11-12-28(26,4)16-19/h5-10,13-15,19,26H,11-12,16H2,1-4H3,(H,30,33)/t19?,26-,28?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membrane after 60 mins by scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50534084 (CHEMBL4467772) Show SMILES Cc1ccc(cc1)-c1cc2ncccc2c2cc(nn12)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H23N5O/c1-16-7-9-17(10-8-16)21-14-19-18(6-5-11-24-19)22-15-20(25-28(21)22)23(29)26-27-12-3-2-4-13-27/h5-11,14-15H,2-4,12-13H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membrane after 60 mins by scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM26144 (1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)CO Show InChI InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50534086 (CHEMBL4461183) Show SMILES Cc1ccc(cc1)-c1cc2ncccc2c2cc(nn12)C(=O)NC1CCCCC1 Show InChI InChI=1S/C24H24N4O/c1-16-9-11-17(12-10-16)22-14-20-19(8-5-13-25-20)23-15-21(27-28(22)23)24(29)26-18-6-3-2-4-7-18/h5,8-15,18H,2-4,6-7H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membrane after 60 mins by scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50534083 (CHEMBL4443516) Show SMILES Cc1ccc(cc1)-c1cc2ncccc2c2cc(nn12)C(=O)N[C@H]1C2(C)CCC(C2)C1(C)C |r,TLB:22:23:29:27.26| Show InChI InChI=1S/C28H30N4O/c1-17-7-9-18(10-8-17)23-14-21-20(6-5-13-29-21)24-15-22(31-32(23)24)25(33)30-26-27(2,3)19-11-12-28(26,4)16-19/h5-10,13-15,19,26H,11-12,16H2,1-4H3,(H,30,33)/t19?,26-,28?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO cell membrane after 90 mins by scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50534087 (CHEMBL4520356) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cc2c3cccnc3cc(-c3ccc(C)cc3)n2n1 |r| Show InChI InChI=1S/C28H32N4O/c1-17(2)21-12-9-19(4)14-24(21)30-28(33)25-16-27-22-6-5-13-29-23(22)15-26(32(27)31-25)20-10-7-18(3)8-11-20/h5-8,10-11,13,15-17,19,21,24H,9,12,14H2,1-4H3,(H,30,33)/t19-,21+,24-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO cell membrane after 90 mins by scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50534085 (CHEMBL4458732) Show SMILES Cc1ccc(cc1)-c1cc2ncccc2c2cc(nn12)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:26:27:24.25.30:31,THB:26:25:31:32.27.28,28:27:24:30.29.31,28:29:24:32.26.27| Show InChI InChI=1S/C28H28N4O/c1-17-4-6-21(7-5-17)25-12-23-22(3-2-8-29-23)26-13-24(31-32(25)26)27(33)30-28-14-18-9-19(15-28)11-20(10-18)16-28/h2-8,12-13,18-20H,9-11,14-16H2,1H3,(H,30,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO cell membrane after 90 mins by scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50534088 (CHEMBL4453164) Show SMILES Cc1ccc(cc1)-c1cc2ncccc2c2cc(nn12)C(=O)N[C@H]1CC2CCC1(C)C2(C)C |r,TLB:22:23:27.26:30| Show InChI InChI=1S/C28H30N4O/c1-17-7-9-18(10-8-17)23-15-21-20(6-5-13-29-21)24-16-22(31-32(23)24)26(33)30-25-14-19-11-12-28(25,4)27(19,2)3/h5-10,13,15-16,19,25H,11-12,14H2,1-4H3,(H,30,33)/t19?,25-,28?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO cell membrane after 90 mins by scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50534090 (CHEMBL4528488) Show SMILES Cc1ccc(cc1)-c1cc2ncccc2c2cc(nn12)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:22:23:25:29.28.27,THB:23:24:27:32.31.30,23:31:25.24.29:27,30:31:25:29.28.27,30:28:25:32.23.31,(14.71,-21.04,;13.39,-20.25,;12.05,-21,;10.72,-20.21,;10.74,-18.67,;12.1,-17.92,;13.41,-18.71,;9.42,-17.89,;8.08,-18.64,;6.75,-17.85,;5.41,-18.6,;4.09,-17.81,;4.11,-16.27,;5.45,-15.52,;6.78,-16.31,;8.12,-15.56,;8.46,-14.06,;10,-13.92,;10.6,-15.33,;9.44,-16.35,;10.78,-12.6,;10.03,-11.24,;12.31,-12.6,;12.7,-11.11,;14.1,-10.54,;15.6,-10.95,;14.4,-9.68,;14.4,-8.2,;13.05,-7.73,;14.1,-8.96,;11.66,-8.31,;11.68,-9.84,;13.07,-10.18,)| Show InChI InChI=1S/C28H28N4O/c1-16-4-6-19(7-5-16)25-14-23-22(3-2-8-29-23)26-15-24(31-32(25)26)28(33)30-27-20-10-17-9-18(12-20)13-21(27)11-17/h2-8,14-15,17-18,20-21,27H,9-13H2,1H3,(H,30,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO cell membrane after 90 mins by scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50534091 (CHEMBL4525460) Show SMILES Cc1ccc(cc1)-c1cc2ncccc2c2cc(nn12)C(=O)NC[C@@H]1CCC2CC1C2(C)C |r,THB:23:24:30:28| Show InChI InChI=1S/C28H30N4O/c1-17-6-8-18(9-7-17)25-14-23-21(5-4-12-29-23)26-15-24(31-32(25)26)27(33)30-16-19-10-11-20-13-22(19)28(20,2)3/h4-9,12,14-15,19-20,22H,10-11,13,16H2,1-3H3,(H,30,33)/t19-,20?,22?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO cell membrane after 90 mins by scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50534086 (CHEMBL4461183) Show SMILES Cc1ccc(cc1)-c1cc2ncccc2c2cc(nn12)C(=O)NC1CCCCC1 Show InChI InChI=1S/C24H24N4O/c1-16-9-11-17(12-10-16)22-14-20-19(8-5-13-25-20)23-15-21(27-28(22)23)24(29)26-18-6-3-2-4-7-18/h5,8-15,18H,2-4,6-7H2,1H3,(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO cell membrane after 90 mins by scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50534089 (CHEMBL4549921) Show SMILES C[C@H]1CC2CC(C1NC(=O)c1cc3c4cccnc4cc(-c4ccc(C)cc4)n3n1)C2(C)C |r,TLB:7:6:4:30,THB:0:1:4:30| Show InChI InChI=1S/C28H30N4O/c1-16-7-9-18(10-8-16)24-14-22-20(6-5-11-29-22)25-15-23(31-32(24)25)27(33)30-26-17(2)12-19-13-21(26)28(19,3)4/h5-11,14-15,17,19,21,26H,12-13H2,1-4H3,(H,30,33)/t17-,19?,21?,26?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO cell membrane after 90 mins by scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50534084 (CHEMBL4467772) Show SMILES Cc1ccc(cc1)-c1cc2ncccc2c2cc(nn12)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H23N5O/c1-16-7-9-17(10-8-16)21-14-19-18(6-5-11-24-19)22-15-20(25-28(21)22)23(29)26-27-12-3-2-4-13-27/h5-11,14-15H,2-4,12-13H2,1H3,(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO cell membrane after 90 mins by scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50534082 (CHEMBL4448088) Show SMILES CC1(C)C2CC1[C@H](CNC(=O)c1cc3c4cccnc4cc(-c4ccc(Cl)cc4Cl)n3n1)CC2 |r,TLB:7:6:1:4| Show InChI InChI=1S/C27H26Cl2N4O/c1-27(2)16-6-5-15(20(27)10-16)14-31-26(34)23-13-25-19-4-3-9-30-22(19)12-24(33(25)32-23)18-8-7-17(28)11-21(18)29/h3-4,7-9,11-13,15-16,20H,5-6,10,14H2,1-2H3,(H,31,34)/t15-,16?,20?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO cell membrane after 90 mins by scintillation counting method				Bioorg Med Chem 24: 5291-5301 (2016) Article DOI: 10.1016/j.bmc.2016.08.055 BindingDB Entry DOI: 10.7270/Q2HT2SV1
					More data for this Ligand-Target Pair