Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50038719   

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))	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 UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					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 UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.797	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50228072 (1,9-dihydroxy-3-(1',1'-dimethylheptyl)-6H-benzo[c]...) Show SMILES CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(O)cc21 Show InChI InChI=1S/C22H26O4/c1-4-5-6-7-10-22(2,3)14-11-18(24)20-17-13-15(23)8-9-16(17)21(25)26-19(20)12-14/h8-9,11-13,23-24H,4-7,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50265650 (2-(N-(2,5-dimethoxyphenyl)-4-methylphenylsulfonami...) Show SMILES COc1ccc(OC)c(c1)N(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C23H25N3O5S/c1-17-4-7-20(8-5-17)32(28,29)26(21-14-19(30-2)6-9-22(21)31-3)16-23(27)25-15-18-10-12-24-13-11-18/h4-14H,15-16H2,1-3H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50265648 (8-hexyl-3,5,5-trimethyl-2,3,4,5-tetrahydro-1H-chro...) Show SMILES CCCCCCc1cc(O)c2C3=C(CN(C)CC3)C(C)(C)Oc2c1 |t:11| Show InChI InChI=1S/C21H31NO2/c1-5-6-7-8-9-15-12-18(23)20-16-10-11-22(4)14-17(16)21(2,3)24-19(20)13-15/h12-13,23H,5-11,14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50265687 (CHEMBL496781 | N-(2-ethylphenyl)-2-(5-(2-methoxyph...) Show SMILES CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccccc1 Show InChI InChI=1S/C25H24N4O2S/c1-3-18-11-7-9-15-21(18)26-23(30)17-32-25-28-27-24(20-14-8-10-16-22(20)31-2)29(25)19-12-5-4-6-13-19/h4-16H,3,17H2,1-2H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					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 UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50265747 ((4-methylnaphthalen-1-yl)(1-propyl-1H-indol-3-yl)m...) Show SMILES CCCn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc12 Show InChI InChI=1S/C23H21NO/c1-3-14-24-15-21(19-10-6-7-11-22(19)24)23(25)20-13-12-16(2)17-8-4-5-9-18(17)20/h4-13,15H,3,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50265647 ((3-methoxynaphthalen-2-yl)(1-pentyl-1H-indol-3-yl)...) Show SMILES CCCCCn1cc(C(=O)c2cc3ccccc3cc2OC)c2ccccc12 Show InChI InChI=1S/C25H25NO2/c1-3-4-9-14-26-17-22(20-12-7-8-13-23(20)26)25(27)21-15-18-10-5-6-11-19(18)16-24(21)28-2/h5-8,10-13,15-17H,3-4,9,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50222797 ((2-cyclopentyl-4-(methylsulfonyl)-1,2,3,4-tetrahyd...) Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(c3CN(Cc3c2c1)C1CCCC1)S(C)(=O)=O Show InChI InChI=1S/C23H31N3O3S/c1-16-9-11-24(12-10-16)23(27)17-7-8-21-19(13-17)20-14-25(18-5-3-4-6-18)15-22(20)26(21)30(2,28)29/h7-8,13,16,18H,3-6,9-12,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50222793 ((4-(ethylsulfonyl)-2-propyl-1,2,3,4-tetrahydropyrr...) Show SMILES CCCN1Cc2c(C1)c1cc(ccc1n2S(=O)(=O)CC)C(=O)N1CCC(C)CC1 Show InChI InChI=1S/C22H31N3O3S/c1-4-10-23-14-19-18-13-17(22(26)24-11-8-16(3)9-12-24)6-7-20(18)25(21(19)15-23)29(27,28)5-2/h6-7,13,16H,4-5,8-12,14-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50234418 ((2,3-Dichloro-phenyl)-[5-methoxy-2-methyl-3-(2-mor...) Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1 Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50240608 (2-(1-(2,3-dichlorobenzoyl)-5-methoxy-2-methyl-1H-i...) Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CC(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C23H22Cl2N2O4/c1-14-17(13-21(28)26-8-10-31-11-9-26)18-12-15(30-2)6-7-20(18)27(14)23(29)16-4-3-5-19(24)22(16)25/h3-7,12H,8-11,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21283 (3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...) Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cc(ccc2I)[N+]([O-])=O)c2ccccc12 Show InChI InChI=1S/C22H22IN3O3/c1-24-11-5-4-6-16(24)13-25-14-19(17-7-2-3-8-21(17)25)22(27)18-12-15(26(28)29)9-10-20(18)23/h2-3,7-10,12,14,16H,4-6,11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	15.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50265755 ((6aR,10aR)-1-methoxy-6,6,9-trimethyl-3-(2-methylhe...) Show SMILES CCCCCC(C)(C)c1cc(OC)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:15| Show InChI InChI=1S/C25H38O2/c1-8-9-10-13-24(3,4)18-15-21(26-7)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h14-16,19-20H,8-13H2,1-7H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50240605 ((2,3-Dichloro-phenyl)-(5-methoxy-2-methyl-3-morpho...) Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CN3CCOCC3)c2c1 Show InChI InChI=1S/C22H22Cl2N2O3/c1-14-18(13-25-8-10-29-11-9-25)17-12-15(28-2)6-7-20(17)26(14)22(27)16-4-3-5-19(23)21(16)24/h3-7,12H,8-11,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50265621 (((1R,4S,5R)-4-(2,6-dimethoxy-4-(2-methyloctan-2-yl...) Show SMILES CCCCCCC(C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@@H]3C[C@H]2C3(C)C)c(OC)c1 |r,t:16| Show InChI InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50265758 ((1R,3R)-1-(2,6-dimethoxy-4-(2-methyloctan-2-yl)phe...) Show SMILES CCCCCCC(C)(C)c1cc(OC)c(c(OC)c1)[C@@]1(O)CCC[C@@H](C)C1 |r| Show InChI InChI=1S/C24H40O3/c1-7-8-9-10-13-23(3,4)19-15-20(26-5)22(21(16-19)27-6)24(25)14-11-12-18(2)17-24/h15-16,18,25H,7-14,17H2,1-6H3/t18-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50222794 ((2-cyclopentyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydr...) Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(CC1)OC)C1CCCC1 Show InChI InChI=1S/C24H33N3O4S/c1-3-32(29,30)27-22-9-8-17(24(28)25-12-10-19(31-2)11-13-25)14-20(22)21-15-26(16-23(21)27)18-6-4-5-7-18/h8-9,14,18-19H,3-7,10-13,15-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50265754 ((6-methoxynaphthalen-1-yl)(2-methyl-1-propyl-1H-in...) Show SMILES CCCn1c(C)c(C(=O)c2cccc3cc(OC)ccc23)c2ccccc12 Show InChI InChI=1S/C24H23NO2/c1-4-14-25-16(2)23(21-9-5-6-11-22(21)25)24(26)20-10-7-8-17-15-18(27-3)12-13-19(17)20/h5-13,15H,4,14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50265756 ((2-methoxynaphthalen-1-yl)(2-methyl-1-pentyl-1H-in...) Show SMILES CCCCCn1c(C)c(C(=O)c2c(OC)ccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H27NO2/c1-4-5-10-17-27-18(2)24(21-13-8-9-14-22(21)27)26(28)25-20-12-7-6-11-19(20)15-16-23(25)29-3/h6-9,11-16H,4-5,10,17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50265648 (8-hexyl-3,5,5-trimethyl-2,3,4,5-tetrahydro-1H-chro...) Show SMILES CCCCCCc1cc(O)c2C3=C(CN(C)CC3)C(C)(C)Oc2c1 |t:11| Show InChI InChI=1S/C21H31NO2/c1-5-6-7-8-9-15-12-18(23)20-16-10-11-22(4)14-17(16)21(2,3)24-19(20)13-15/h12-13,23H,5-11,14H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50265687 (CHEMBL496781 | N-(2-ethylphenyl)-2-(5-(2-methoxyph...) Show SMILES CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccccc1 Show InChI InChI=1S/C25H24N4O2S/c1-3-18-11-7-9-15-21(18)26-23(30)17-32-25-28-27-24(20-14-8-10-16-22(20)31-2)29(25)19-12-5-4-6-13-19/h4-16H,3,17H2,1-2H3,(H,26,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50265686 ((S)-2-(4-bromo-N-(4-ethoxyphenyl)phenylsulfonamido...) Show SMILES CCOc1ccc(cc1)N(CC(=O)N[C@@H](C)CC)S(=O)(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C20H25BrN2O4S/c1-4-15(3)22-20(24)14-23(17-8-10-18(11-9-17)27-5-2)28(25,26)19-12-6-16(21)7-13-19/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)/t15-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50265685 (CHEMBL523749 | N1-(4-bromophenyl)-N2,N2-dipentylph...) Show SMILES CCCCCN(CCCCC)C(=O)c1ccccc1C(=O)Nc1ccc(Br)cc1 Show InChI InChI=1S/C24H31BrN2O2/c1-3-5-9-17-27(18-10-6-4-2)24(29)22-12-8-7-11-21(22)23(28)26-20-15-13-19(25)14-16-20/h7-8,11-16H,3-6,9-10,17-18H2,1-2H3,(H,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50265651 (2-(butylthio)-3-phenethyl-3H-spiro[benzo[h]quinazo...) Show SMILES CCCCSc1nc2-c3ccccc3CC3(CCCC3)c2c(=O)n1CCc1ccccc1 Show InChI InChI=1S/C28H32N2OS/c1-2-3-19-32-27-29-25-23-14-8-7-13-22(23)20-28(16-9-10-17-28)24(25)26(31)30(27)18-15-21-11-5-4-6-12-21/h4-8,11-14H,2-3,9-10,15-20H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50265650 (2-(N-(2,5-dimethoxyphenyl)-4-methylphenylsulfonami...) Show SMILES COc1ccc(OC)c(c1)N(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C23H25N3O5S/c1-17-4-7-20(8-5-17)32(28,29)26(21-14-19(30-2)6-9-22(21)31-3)16-23(27)25-15-18-10-12-24-13-11-18/h4-14H,15-16H2,1-3H3,(H,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50265649 (2-(4-benzyl-5-m-tolyl-4H-1,2,4-triazol-3-ylthio)-N...) Show SMILES Cc1cccc(c1)-c1nnc(SCC(=O)NC2CCCCC2)n1Cc1ccccc1 Show InChI InChI=1S/C24H28N4OS/c1-18-9-8-12-20(15-18)23-26-27-24(28(23)16-19-10-4-2-5-11-19)30-17-22(29)25-21-13-6-3-7-14-21/h2,4-5,8-12,15,21H,3,6-7,13-14,16-17H2,1H3,(H,25,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50222788 (1-(2-cyclopentyl-7-(4-methylpiperidine-1-carbonyl)...) Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(C(C)=O)c3CN(Cc3c2c1)C1CCCC1 Show InChI InChI=1S/C24H31N3O2/c1-16-9-11-25(12-10-16)24(29)18-7-8-22-20(13-18)21-14-26(19-5-3-4-6-19)15-23(21)27(22)17(2)28/h7-8,13,16,19H,3-6,9-12,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50222797 ((2-cyclopentyl-4-(methylsulfonyl)-1,2,3,4-tetrahyd...) Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(c3CN(Cc3c2c1)C1CCCC1)S(C)(=O)=O Show InChI InChI=1S/C23H31N3O3S/c1-16-9-11-24(12-10-16)23(27)17-7-8-21-19(13-17)20-14-25(18-5-3-4-6-18)15-22(20)26(21)30(2,28)29/h7-8,13,16,18H,3-6,9-12,14-15H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	279	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50265757 (4-(2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl)tetr...) Show SMILES CCCCCCC(C)(C)c1cc(OC)c(c(OC)c1)C1(O)CCOCC1 Show InChI InChI=1S/C22H36O4/c1-6-7-8-9-10-21(2,3)17-15-18(24-4)20(19(16-17)25-5)22(23)11-13-26-14-12-22/h15-16,23H,6-14H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	342	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50265647 ((3-methoxynaphthalen-2-yl)(1-pentyl-1H-indol-3-yl)...) Show SMILES CCCCCn1cc(C(=O)c2cc3ccccc3cc2OC)c2ccccc12 Show InChI InChI=1S/C25H25NO2/c1-3-4-9-14-26-17-22(20-12-7-8-13-23(20)26)25(27)21-15-18-10-5-6-11-19(18)16-24(21)28-2/h5-8,10-13,15-17H,3-4,9,14H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	381	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50228072 (1,9-dihydroxy-3-(1',1'-dimethylheptyl)-6H-benzo[c]...) Show SMILES CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(O)cc21 Show InChI InChI=1S/C22H26O4/c1-4-5-6-7-10-22(2,3)14-11-18(24)20-17-13-15(23)8-9-16(17)21(25)26-19(20)12-14/h8-9,11-13,23-24H,4-7,10H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50222793 ((4-(ethylsulfonyl)-2-propyl-1,2,3,4-tetrahydropyrr...) Show SMILES CCCN1Cc2c(C1)c1cc(ccc1n2S(=O)(=O)CC)C(=O)N1CCC(C)CC1 Show InChI InChI=1S/C22H31N3O3S/c1-4-10-23-14-19-18-13-17(22(26)24-11-8-16(3)9-12-24)6-7-20(18)25(21(19)15-23)29(27,28)5-2/h6-7,13,16H,4-5,8-12,14-15H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	604	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					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 UniProtKB/TrEMBL 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
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50265747 ((4-methylnaphthalen-1-yl)(1-propyl-1H-indol-3-yl)m...) Show SMILES CCCn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc12 Show InChI InChI=1S/C23H21NO/c1-3-14-24-15-21(19-10-6-7-11-22(19)24)23(25)20-13-12-16(2)17-8-4-5-9-18(17)20/h4-13,15H,3,14H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50265756 ((2-methoxynaphthalen-1-yl)(2-methyl-1-pentyl-1H-in...) Show SMILES CCCCCn1c(C)c(C(=O)c2c(OC)ccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H27NO2/c1-4-5-10-17-27-18(2)24(21-13-8-9-14-22(21)27)26(28)25-20-12-7-6-11-19(20)15-16-23(25)29-3/h6-9,11-16H,4-5,10,17H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50234418 ((2,3-Dichloro-phenyl)-[5-methoxy-2-methyl-3-(2-mor...) Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1 Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50240608 (2-(1-(2,3-dichlorobenzoyl)-5-methoxy-2-methyl-1H-i...) Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CC(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C23H22Cl2N2O4/c1-14-17(13-21(28)26-8-10-31-11-9-26)18-12-15(30-2)6-7-20(18)27(14)23(29)16-4-3-5-19(24)22(16)25/h3-7,12H,8-11,13H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50222794 ((2-cyclopentyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydr...) Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(CC1)OC)C1CCCC1 Show InChI InChI=1S/C24H33N3O4S/c1-3-32(29,30)27-22-9-8-17(24(28)25-12-10-19(31-2)11-13-25)14-20(22)21-15-26(16-23(21)27)18-6-4-5-7-18/h8-9,14,18-19H,3-7,10-13,15-16H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50222788 (1-(2-cyclopentyl-7-(4-methylpiperidine-1-carbonyl)...) Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(C(C)=O)c3CN(Cc3c2c1)C1CCCC1 Show InChI InChI=1S/C24H31N3O2/c1-16-9-11-25(12-10-16)24(29)18-7-8-22-20(13-18)21-14-26(19-5-3-4-6-19)15-23(21)27(22)17(2)28/h7-8,13,16,19H,3-6,9-12,14-15H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50265755 ((6aR,10aR)-1-methoxy-6,6,9-trimethyl-3-(2-methylhe...) Show SMILES CCCCCC(C)(C)c1cc(OC)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:15| Show InChI InChI=1S/C25H38O2/c1-8-9-10-13-24(3,4)18-15-21(26-7)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h14-16,19-20H,8-13H2,1-7H3/t19-,20-/m1/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	3.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50240605 ((2,3-Dichloro-phenyl)-(5-methoxy-2-methyl-3-morpho...) Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CN3CCOCC3)c2c1 Show InChI InChI=1S/C22H22Cl2N2O3/c1-14-18(13-25-8-10-29-11-9-25)17-12-15(28-2)6-7-20(17)26(14)22(27)16-4-3-5-19(23)21(16)24/h3-7,12H,8-11,13H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21283 (3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...) Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cc(ccc2I)[N+]([O-])=O)c2ccccc12 Show InChI InChI=1S/C22H22IN3O3/c1-24-11-5-4-6-16(24)13-25-14-19(17-7-2-3-8-21(17)25)22(27)18-12-15(26(28)29)9-10-20(18)23/h2-3,7-10,12,14,16H,4-6,11,13H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50265758 ((1R,3R)-1-(2,6-dimethoxy-4-(2-methyloctan-2-yl)phe...) Show SMILES CCCCCCC(C)(C)c1cc(OC)c(c(OC)c1)[C@@]1(O)CCC[C@@H](C)C1 |r| Show InChI InChI=1S/C24H40O3/c1-7-8-9-10-13-23(3,4)19-15-20(26-5)22(21(16-19)27-6)24(25)14-11-12-18(2)17-24/h15-16,18,25H,7-14,17H2,1-6H3/t18-,24-/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	5.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50265621 (((1R,4S,5R)-4-(2,6-dimethoxy-4-(2-methyloctan-2-yl...) Show SMILES CCCCCCC(C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@@H]3C[C@H]2C3(C)C)c(OC)c1 |r,t:16| Show InChI InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21-,22+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50265757 (4-(2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl)tetr...) Show SMILES CCCCCCC(C)(C)c1cc(OC)c(c(OC)c1)C1(O)CCOCC1 Show InChI InChI=1S/C22H36O4/c1-6-7-8-9-10-21(2,3)17-15-18(24-4)20(19(16-17)25-5)22(23)11-13-26-14-12-22/h15-16,23H,6-14H2,1-5H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50265754 ((6-methoxynaphthalen-1-yl)(2-methyl-1-propyl-1H-in...) Show SMILES CCCn1c(C)c(C(=O)c2cccc3cc(OC)ccc23)c2ccccc12 Show InChI InChI=1S/C24H23NO2/c1-4-14-25-16(2)23(21-9-5-6-11-22(21)25)24(26)20-10-7-8-17-15-18(27-3)12-13-19(17)20/h5-13,15H,4,14H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21311 (4-(2-{3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]...) Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)C1(C)C Show InChI InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-15-24(18-8-6-5-7-16(17)18)10-9-23-11-13-26-14-12-23/h5-8,15,20H,9-14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21311 (4-(2-{3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]...) Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)C1(C)C Show InChI InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-15-24(18-8-6-5-7-16(17)18)10-9-23-11-13-26-14-12-23/h5-8,15,20H,9-14H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 52 total )  |  Next  |  Last  >>

Jump to: