Compile Data Set for Download or QSAR

Found 61 hits Enz. Inhib. hit(s) with all data for entry = 50005945   

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))	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£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50495633 (CHEMBL3114181) Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)c1 Show InChI InChI=1S/C27H29FN2O3/c1-33-24-14-10-20(11-15-24)21-16-25(26(31)29-23-6-4-2-3-5-7-23)27(32)30(18-21)17-19-8-12-22(28)13-9-19/h8-16,18,23H,2-7,17H2,1H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50495626 (CHEMBL3114182) Show SMILES Fc1ccc(Cn2cc(cc(C(=O)NC3CCCCCC3)c2=O)-c2ccccc2)cc1 Show InChI InChI=1S/C26H27FN2O2/c27-22-14-12-19(13-15-22)17-29-18-21(20-8-4-3-5-9-20)16-24(26(29)31)25(30)28-23-10-6-1-2-7-11-23/h3-5,8-9,12-16,18,23H,1-2,6-7,10-11,17H2,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50495628 (CHEMBL3114178) Show SMILES Fc1ccc(Cn2cc(Br)cc(C(=O)NC3CCCCCC3)c2=O)cc1 Show InChI InChI=1S/C20H22BrFN2O2/c21-15-11-18(19(25)23-17-5-3-1-2-4-6-17)20(26)24(13-15)12-14-7-9-16(22)10-8-14/h7-11,13,17H,1-6,12H2,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50495632 (CHEMBL3114341) Show SMILES Fc1ccc(Cn2cc(cc(C(=O)NC3CCCCCC3)c2=O)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H26F2N2O2/c27-21-11-7-18(8-12-21)16-30-17-20(19-9-13-22(28)14-10-19)15-24(26(30)32)25(31)29-23-5-3-1-2-4-6-23/h7-15,17,23H,1-6,16H2,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50180036 ((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...) Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50495639 (CHEMBL3114350) Show SMILES Clc1ccc(Cn2cccc(C(=O)NC3CCCCCC3)c2=O)cc1 Show InChI InChI=1S/C20H23ClN2O2/c21-16-11-9-15(10-12-16)14-23-13-5-8-18(20(23)25)19(24)22-17-6-3-1-2-4-7-17/h5,8-13,17H,1-4,6-7,14H2,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50495636 (CHEMBL3114172) Show SMILES CC1CCC(CC1)NC(=O)c1cccn(Cc2ccc(F)cc2)c1=O |(26.39,-29.35,;27.93,-29.35,;28.7,-30.69,;30.24,-30.69,;31.01,-29.35,;30.24,-28.02,;28.7,-28.02,;32.55,-29.35,;33.32,-28.02,;32.55,-26.69,;34.86,-28.02,;35.63,-26.69,;37.17,-26.69,;37.94,-28.02,;37.17,-29.35,;37.94,-30.69,;39.48,-30.69,;40.25,-29.35,;41.79,-29.35,;42.56,-30.69,;44.1,-30.69,;41.79,-32.03,;40.25,-32.03,;35.63,-29.35,;34.86,-30.69,)| Show InChI InChI=1S/C20H23FN2O2/c1-14-4-10-17(11-5-14)22-19(24)18-3-2-12-23(20(18)25)13-15-6-8-16(21)9-7-15/h2-3,6-9,12,14,17H,4-5,10-11,13H2,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50495634 (CHEMBL3114180) Show SMILES CCCCn1cc(Br)cc(C(=O)NC2CCCCCC2)c1=O Show InChI InChI=1S/C17H25BrN2O2/c1-2-3-10-20-12-13(18)11-15(17(20)22)16(21)19-14-8-6-4-5-7-9-14/h11-12,14H,2-10H2,1H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50381880 (CHEMBL2022698) Show SMILES Fc1ccc(Cn2cccc(C(=O)NC3CCCCCC3)c2=O)cc1 Show InChI InChI=1S/C20H23FN2O2/c21-16-11-9-15(10-12-16)14-23-13-5-8-18(20(23)25)19(24)22-17-6-3-1-2-4-7-17/h5,8-13,17H,1-4,6-7,14H2,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50495631 (CHEMBL3114343) Show SMILES Fc1ccc(Cn2cc(\C=C\c3ccccc3)cc(C(=O)NC3CCCCCC3)c2=O)cc1 Show InChI InChI=1S/C28H29FN2O2/c29-24-16-14-22(15-17-24)19-31-20-23(13-12-21-8-4-3-5-9-21)18-26(28(31)33)27(32)30-25-10-6-1-2-7-11-25/h3-5,8-9,12-18,20,25H,1-2,6-7,10-11,19H2,(H,30,32)/b13-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50495625 (CHEMBL3114349) Show SMILES O=C(NC1CCCCCC1)c1cccn(Cc2ccccc2)c1=O Show InChI InChI=1S/C20H24N2O2/c23-19(21-17-11-6-1-2-7-12-17)18-13-8-14-22(20(18)24)15-16-9-4-3-5-10-16/h3-5,8-10,13-14,17H,1-2,6-7,11-12,15H2,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50495628 (CHEMBL3114178) Show SMILES Fc1ccc(Cn2cc(Br)cc(C(=O)NC3CCCCCC3)c2=O)cc1 Show InChI InChI=1S/C20H22BrFN2O2/c21-15-11-18(19(25)23-17-5-3-1-2-4-6-17)20(26)24(13-15)12-14-7-9-16(22)10-8-14/h7-11,13,17H,1-6,12H2,(H,23,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50495630 (CHEMBL3114344) Show SMILES CCOC(=O)\C=C\c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)c1 Show InChI InChI=1S/C25H29FN2O4/c1-2-32-23(29)14-11-19-15-22(24(30)27-21-7-5-3-4-6-8-21)25(31)28(17-19)16-18-9-12-20(26)13-10-18/h9-15,17,21H,2-8,16H2,1H3,(H,27,30)/b14-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50495634 (CHEMBL3114180) Show SMILES CCCCn1cc(Br)cc(C(=O)NC2CCCCCC2)c1=O Show InChI InChI=1S/C17H25BrN2O2/c1-2-3-10-20-12-13(18)11-15(17(20)22)16(21)19-14-8-6-4-5-7-9-14/h11-12,14H,2-10H2,1H3,(H,19,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50495632 (CHEMBL3114341) Show SMILES Fc1ccc(Cn2cc(cc(C(=O)NC3CCCCCC3)c2=O)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H26F2N2O2/c27-21-11-7-18(8-12-21)16-30-17-20(19-9-13-22(28)14-10-19)15-24(26(30)32)25(31)29-23-5-3-1-2-4-6-23/h7-15,17,23H,1-6,16H2,(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50495631 (CHEMBL3114343) Show SMILES Fc1ccc(Cn2cc(\C=C\c3ccccc3)cc(C(=O)NC3CCCCCC3)c2=O)cc1 Show InChI InChI=1S/C28H29FN2O2/c29-24-16-14-22(15-17-24)19-31-20-23(13-12-21-8-4-3-5-9-21)18-26(28(31)33)27(32)30-25-10-6-1-2-7-11-25/h3-5,8-9,12-18,20,25H,1-2,6-7,10-11,19H2,(H,30,32)/b13-12+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50495630 (CHEMBL3114344) Show SMILES CCOC(=O)\C=C\c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)c1 Show InChI InChI=1S/C25H29FN2O4/c1-2-32-23(29)14-11-19-15-22(24(30)27-21-7-5-3-4-6-8-21)25(31)28(17-19)16-18-9-12-20(26)13-10-18/h9-15,17,21H,2-8,16H2,1H3,(H,27,30)/b14-11+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50495626 (CHEMBL3114182) Show SMILES Fc1ccc(Cn2cc(cc(C(=O)NC3CCCCCC3)c2=O)-c2ccccc2)cc1 Show InChI InChI=1S/C26H27FN2O2/c27-22-14-12-19(13-15-22)17-29-18-21(20-8-4-3-5-9-20)16-24(26(29)31)25(30)28-23-10-6-1-2-7-11-23/h3-5,8-9,12-16,18,23H,1-2,6-7,10-11,17H2,(H,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50381880 (CHEMBL2022698) Show SMILES Fc1ccc(Cn2cccc(C(=O)NC3CCCCCC3)c2=O)cc1 Show InChI InChI=1S/C20H23FN2O2/c21-16-11-9-15(10-12-16)14-23-13-5-8-18(20(23)25)19(24)22-17-6-3-1-2-4-7-17/h5,8-13,17H,1-4,6-7,14H2,(H,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50495627 (CHEMBL3114173) Show SMILES CC1CCC(CC1)NC(=O)c1cccn(Cc2ccccc2)c1=O |(3.98,-37.64,;5.52,-37.64,;6.29,-38.97,;7.83,-38.97,;8.6,-37.64,;7.83,-36.31,;6.29,-36.31,;10.15,-37.64,;10.91,-36.31,;10.15,-34.97,;12.46,-36.31,;13.23,-34.97,;14.77,-34.97,;15.54,-36.31,;14.77,-37.64,;15.54,-38.97,;17.09,-38.97,;17.86,-37.64,;19.4,-37.64,;20.17,-38.97,;19.4,-40.31,;17.86,-40.31,;13.23,-37.64,;12.46,-38.97,)| Show InChI InChI=1S/C20H24N2O2/c1-15-9-11-17(12-10-15)21-19(23)18-8-5-13-22(20(18)24)14-16-6-3-2-4-7-16/h2-8,13,15,17H,9-12,14H2,1H3,(H,21,23)	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£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50495639 (CHEMBL3114350) Show SMILES Clc1ccc(Cn2cccc(C(=O)NC3CCCCCC3)c2=O)cc1 Show InChI InChI=1S/C20H23ClN2O2/c21-16-11-9-15(10-12-16)14-23-13-5-8-18(20(23)25)19(24)22-17-6-3-1-2-4-7-17/h5,8-13,17H,1-4,6-7,14H2,(H,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50495625 (CHEMBL3114349) Show SMILES O=C(NC1CCCCCC1)c1cccn(Cc2ccccc2)c1=O Show InChI InChI=1S/C20H24N2O2/c23-19(21-17-11-6-1-2-7-12-17)18-13-8-14-22(20(18)24)15-16-9-4-3-5-10-16/h3-5,8-10,13-14,17H,1-2,6-7,11-12,15H2,(H,21,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50495647 (CHEMBL3114342) Show SMILES Fc1ccc(cc1)-c1cc(C(=O)NC2CCCCCC2)c(=O)n(CCN2CCOCC2)c1 Show InChI InChI=1S/C25H32FN3O3/c26-21-9-7-19(8-10-21)20-17-23(24(30)27-22-5-3-1-2-4-6-22)25(31)29(18-20)12-11-28-13-15-32-16-14-28/h7-10,17-18,22H,1-6,11-16H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50495633 (CHEMBL3114181) Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)c1 Show InChI InChI=1S/C27H29FN2O3/c1-33-24-14-10-20(11-15-24)21-16-25(26(31)29-23-6-4-2-3-5-7-23)27(32)30(18-21)17-19-8-12-22(28)13-9-19/h8-16,18,23H,2-7,17H2,1H3,(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50495648 (CHEMBL3114179) Show SMILES Brc1cc(C(=O)NC2CCCCCC2)c(=O)n(CCN2CCOCC2)c1 Show InChI InChI=1S/C19H28BrN3O3/c20-15-13-17(18(24)21-16-5-3-1-2-4-6-16)19(25)23(14-15)8-7-22-9-11-26-12-10-22/h13-14,16H,1-12H2,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50495636 (CHEMBL3114172) Show SMILES CC1CCC(CC1)NC(=O)c1cccn(Cc2ccc(F)cc2)c1=O |(26.39,-29.35,;27.93,-29.35,;28.7,-30.69,;30.24,-30.69,;31.01,-29.35,;30.24,-28.02,;28.7,-28.02,;32.55,-29.35,;33.32,-28.02,;32.55,-26.69,;34.86,-28.02,;35.63,-26.69,;37.17,-26.69,;37.94,-28.02,;37.17,-29.35,;37.94,-30.69,;39.48,-30.69,;40.25,-29.35,;41.79,-29.35,;42.56,-30.69,;44.1,-30.69,;41.79,-32.03,;40.25,-32.03,;35.63,-29.35,;34.86,-30.69,)| Show InChI InChI=1S/C20H23FN2O2/c1-14-4-10-17(11-5-14)22-19(24)18-3-2-12-23(20(18)25)13-15-6-8-16(21)9-7-15/h2-3,6-9,12,14,17H,4-5,10-11,13H2,1H3,(H,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50495646 (CHEMBL3114346) Show SMILES CC1CCC(CC1)NC(=O)c1cccnc1OCc1ccc(F)cc1 |(1.66,-54.17,;2.43,-52.84,;1.66,-51.5,;2.42,-50.16,;3.97,-50.17,;4.75,-51.5,;3.98,-52.84,;4.73,-48.83,;3.97,-47.48,;2.42,-47.48,;4.73,-46.15,;3.97,-44.81,;4.73,-43.47,;6.29,-43.47,;7.06,-44.81,;6.29,-46.15,;7.06,-47.48,;8.59,-47.49,;9.36,-48.82,;8.59,-50.14,;9.35,-51.47,;10.89,-51.47,;11.66,-52.81,;11.66,-50.13,;10.89,-48.81,)| Show InChI InChI=1S/C20H23FN2O2/c1-14-4-10-17(11-5-14)23-19(24)18-3-2-12-22-20(18)25-13-15-6-8-16(21)9-7-15/h2-3,6-9,12,14,17H,4-5,10-11,13H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50495643 (CHEMBL3114175) Show SMILES CCCCn1cccc(C(=O)NC2CCC(C)CC2)c1=O |(19.14,-44.33,;17.6,-44.33,;16.83,-45.66,;15.29,-45.66,;14.52,-44.33,;15.29,-43,;14.52,-41.67,;12.98,-41.67,;12.21,-43,;10.66,-43,;9.9,-41.67,;9.9,-44.33,;8.36,-44.33,;7.58,-45.66,;6.04,-45.66,;5.28,-44.33,;3.74,-44.33,;6.04,-43,;7.58,-43,;12.98,-44.33,;12.21,-45.66,)| Show InChI InChI=1S/C17H26N2O2/c1-3-4-11-19-12-5-6-15(17(19)21)16(20)18-14-9-7-13(2)8-10-14/h5-6,12-14H,3-4,7-11H2,1-2H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50495638 (CHEMBL3114351) Show SMILES Ic1ccc(Cn2cccc(C(=O)NC3CCCCCC3)c2=O)cc1 Show InChI InChI=1S/C20H23IN2O2/c21-16-11-9-15(10-12-16)14-23-13-5-8-18(20(23)25)19(24)22-17-6-3-1-2-4-7-17/h5,8-13,17H,1-4,6-7,14H2,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	187	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50495648 (CHEMBL3114179) Show SMILES Brc1cc(C(=O)NC2CCCCCC2)c(=O)n(CCN2CCOCC2)c1 Show InChI InChI=1S/C19H28BrN3O3/c20-15-13-17(18(24)21-16-5-3-1-2-4-6-16)19(25)23(14-15)8-7-22-9-11-26-12-10-22/h13-14,16H,1-12H2,(H,21,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	243	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50495627 (CHEMBL3114173) Show SMILES CC1CCC(CC1)NC(=O)c1cccn(Cc2ccccc2)c1=O |(3.98,-37.64,;5.52,-37.64,;6.29,-38.97,;7.83,-38.97,;8.6,-37.64,;7.83,-36.31,;6.29,-36.31,;10.15,-37.64,;10.91,-36.31,;10.15,-34.97,;12.46,-36.31,;13.23,-34.97,;14.77,-34.97,;15.54,-36.31,;14.77,-37.64,;15.54,-38.97,;17.09,-38.97,;17.86,-37.64,;19.4,-37.64,;20.17,-38.97,;19.4,-40.31,;17.86,-40.31,;13.23,-37.64,;12.46,-38.97,)| Show InChI InChI=1S/C20H24N2O2/c1-15-9-11-17(12-10-15)21-19(23)18-8-5-13-22(20(18)24)14-16-6-3-2-4-7-16/h2-8,13,15,17H,9-12,14H2,1H3,(H,21,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	386	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50495640 (CHEMBL3114348) Show SMILES CCCCOc1ncc(Br)cc1C(=O)NC1CCCCCC1 Show InChI InChI=1S/C17H25BrN2O2/c1-2-3-10-22-17-15(11-13(18)12-19-17)16(21)20-14-8-6-4-5-7-9-14/h11-12,14H,2-10H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	396	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50495649 (CHEMBL3114169) Show SMILES Ic1cccc(Cn2cccc(C(=O)NC3CCCCCC3)c2=O)c1 Show InChI InChI=1S/C20H23IN2O2/c21-16-8-5-7-15(13-16)14-23-12-6-11-18(20(23)25)19(24)22-17-9-3-1-2-4-10-17/h5-8,11-13,17H,1-4,9-10,14H2,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	397	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					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	437	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50495645 (CHEMBL3114345) Show SMILES O=C(NC1CCCCCC1)c1cccnc1OCc1ccccc1 Show InChI InChI=1S/C20H24N2O2/c23-19(22-17-11-6-1-2-7-12-17)18-13-8-14-21-20(18)24-15-16-9-4-3-5-10-16/h3-5,8-10,13-14,17H,1-2,6-7,11-12,15H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	481	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50495644 (CHEMBL3114174) Show SMILES CCCn1cccc(C(=O)NC2CCC(C)CC2)c1=O |(28.49,-35.31,;29.26,-36.65,;30.8,-36.65,;31.57,-37.99,;30.8,-39.31,;31.57,-40.65,;33.11,-40.65,;33.88,-39.31,;35.42,-39.31,;36.19,-40.65,;36.19,-37.99,;37.73,-37.99,;38.5,-36.65,;40.04,-36.65,;40.81,-37.98,;42.35,-37.98,;40.04,-39.31,;38.5,-39.31,;33.11,-37.99,;33.88,-36.65,)| Show InChI InChI=1S/C16H24N2O2/c1-3-10-18-11-4-5-14(16(18)20)15(19)17-13-8-6-12(2)7-9-13/h4-5,11-13H,3,6-10H2,1-2H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	583	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50495641 (CHEMBL3114347) Show SMILES CC1CCC(CC1)NC(=O)c1cccnc1OCc1ccccc1 |(17.09,-54.87,;17.86,-53.54,;17.09,-52.2,;17.86,-50.86,;19.4,-50.87,;20.18,-52.2,;19.41,-53.54,;20.17,-49.53,;19.4,-48.18,;17.85,-48.18,;20.17,-46.85,;19.4,-45.51,;20.17,-44.17,;21.72,-44.17,;22.49,-45.51,;21.72,-46.85,;22.49,-48.18,;24.03,-48.18,;24.79,-49.52,;24.02,-50.84,;24.79,-52.17,;26.32,-52.17,;27.09,-50.83,;26.32,-49.51,)| Show InChI InChI=1S/C20H24N2O2/c1-15-9-11-17(12-10-15)22-19(23)18-8-5-13-21-20(18)24-14-16-6-3-2-4-7-16/h2-8,13,15,17H,9-12,14H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	594	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50180036 ((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...) Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	677	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50495646 (CHEMBL3114346) Show SMILES CC1CCC(CC1)NC(=O)c1cccnc1OCc1ccc(F)cc1 |(1.66,-54.17,;2.43,-52.84,;1.66,-51.5,;2.42,-50.16,;3.97,-50.17,;4.75,-51.5,;3.98,-52.84,;4.73,-48.83,;3.97,-47.48,;2.42,-47.48,;4.73,-46.15,;3.97,-44.81,;4.73,-43.47,;6.29,-43.47,;7.06,-44.81,;6.29,-46.15,;7.06,-47.48,;8.59,-47.49,;9.36,-48.82,;8.59,-50.14,;9.35,-51.47,;10.89,-51.47,;11.66,-52.81,;11.66,-50.13,;10.89,-48.81,)| Show InChI InChI=1S/C20H23FN2O2/c1-14-4-10-17(11-5-14)23-19(24)18-3-2-12-22-20(18)25-13-15-6-8-16(21)9-7-15/h2-3,6-9,12,14,17H,4-5,10-11,13H2,1H3,(H,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	884	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50495638 (CHEMBL3114351) Show SMILES Ic1ccc(Cn2cccc(C(=O)NC3CCCCCC3)c2=O)cc1 Show InChI InChI=1S/C20H23IN2O2/c21-16-11-9-15(10-12-16)14-23-13-5-8-18(20(23)25)19(24)22-17-6-3-1-2-4-7-17/h5,8-13,17H,1-4,6-7,14H2,(H,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50495643 (CHEMBL3114175) Show SMILES CCCCn1cccc(C(=O)NC2CCC(C)CC2)c1=O |(19.14,-44.33,;17.6,-44.33,;16.83,-45.66,;15.29,-45.66,;14.52,-44.33,;15.29,-43,;14.52,-41.67,;12.98,-41.67,;12.21,-43,;10.66,-43,;9.9,-41.67,;9.9,-44.33,;8.36,-44.33,;7.58,-45.66,;6.04,-45.66,;5.28,-44.33,;3.74,-44.33,;6.04,-43,;7.58,-43,;12.98,-44.33,;12.21,-45.66,)| Show InChI InChI=1S/C17H26N2O2/c1-3-4-11-19-12-5-6-15(17(19)21)16(20)18-14-9-7-13(2)8-10-14/h5-6,12-14H,3-4,7-11H2,1-2H3,(H,18,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50495649 (CHEMBL3114169) Show SMILES Ic1cccc(Cn2cccc(C(=O)NC3CCCCCC3)c2=O)c1 Show InChI InChI=1S/C20H23IN2O2/c21-16-8-5-7-15(13-16)14-23-12-6-11-18(20(23)25)19(24)22-17-9-3-1-2-4-10-17/h5-8,11-13,17H,1-4,9-10,14H2,(H,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50495637 (CHEMBL3114170) Show SMILES CCOC(=O)CCCn1cccc(C(=O)NC2CCCCCC2)c1=O Show InChI InChI=1S/C19H28N2O4/c1-2-25-17(22)12-8-14-21-13-7-11-16(19(21)24)18(23)20-15-9-5-3-4-6-10-15/h7,11,13,15H,2-6,8-10,12,14H2,1H3,(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50495645 (CHEMBL3114345) Show SMILES O=C(NC1CCCCCC1)c1cccnc1OCc1ccccc1 Show InChI InChI=1S/C20H24N2O2/c23-19(22-17-11-6-1-2-7-12-17)18-13-8-14-21-20(18)24-15-16-9-4-3-5-10-16/h3-5,8-10,13-14,17H,1-2,6-7,11-12,15H2,(H,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50495647 (CHEMBL3114342) Show SMILES Fc1ccc(cc1)-c1cc(C(=O)NC2CCCCCC2)c(=O)n(CCN2CCOCC2)c1 Show InChI InChI=1S/C25H32FN3O3/c26-21-9-7-19(8-10-21)20-17-23(24(30)27-22-5-3-1-2-4-6-22)25(31)29(18-20)12-11-28-13-15-32-16-14-28/h7-10,17-18,22H,1-6,11-16H2,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.73E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50495641 (CHEMBL3114347) Show SMILES CC1CCC(CC1)NC(=O)c1cccnc1OCc1ccccc1 |(17.09,-54.87,;17.86,-53.54,;17.09,-52.2,;17.86,-50.86,;19.4,-50.87,;20.18,-52.2,;19.41,-53.54,;20.17,-49.53,;19.4,-48.18,;17.85,-48.18,;20.17,-46.85,;19.4,-45.51,;20.17,-44.17,;21.72,-44.17,;22.49,-45.51,;21.72,-46.85,;22.49,-48.18,;24.03,-48.18,;24.79,-49.52,;24.02,-50.84,;24.79,-52.17,;26.32,-52.17,;27.09,-50.83,;26.32,-49.51,)| Show InChI InChI=1S/C20H24N2O2/c1-15-9-11-17(12-10-15)22-19(23)18-8-5-13-21-20(18)24-14-16-6-3-2-4-7-16/h2-8,13,15,17H,9-12,14H2,1H3,(H,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50495629 (CHEMBL3114171) Show SMILES OC(=O)CCCn1cccc(C(=O)NC2CCCCCC2)c1=O Show InChI InChI=1S/C17H24N2O4/c20-15(21)10-6-12-19-11-5-9-14(17(19)23)16(22)18-13-7-3-1-2-4-8-13/h5,9,11,13H,1-4,6-8,10,12H2,(H,18,22)(H,20,21)	PDB 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£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50495637 (CHEMBL3114170) Show SMILES CCOC(=O)CCCn1cccc(C(=O)NC2CCCCCC2)c1=O Show InChI InChI=1S/C19H28N2O4/c1-2-25-17(22)12-8-14-21-13-7-11-16(19(21)24)18(23)20-15-9-5-3-4-6-10-15/h7,11,13,15H,2-6,8-10,12,14H2,1H3,(H,20,23)	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£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50495635 (CHEMBL3114176) Show SMILES CC1CCC(CC1)NC(=O)c1cccn(CCO)c1=O |(41.43,-45.3,;39.89,-45.3,;39.12,-43.97,;37.58,-43.97,;36.81,-45.3,;37.58,-46.64,;39.12,-46.64,;35.27,-45.3,;34.5,-46.64,;35.27,-47.97,;32.96,-46.64,;32.19,-47.97,;30.65,-47.97,;29.88,-46.64,;30.65,-45.3,;29.88,-43.97,;28.34,-43.97,;27.57,-42.63,;32.19,-45.3,;32.96,-43.97,)| Show InChI InChI=1S/C15H22N2O3/c1-11-4-6-12(7-5-11)16-14(19)13-3-2-8-17(9-10-18)15(13)20/h2-3,8,11-12,18H,4-7,9-10H2,1H3,(H,16,19)	PDB 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£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
					More data for this Ligand-Target Pair

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