Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50009461   

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 1 (Homo sapiens (Human))	BDBM50083842 (3-(6-Hydroxy-hex-2-enyl)-6,6,9-trimethyl-6a,7,10,1...) Show SMILES CC1=CCC2C(C1)c1c(O)cc(C\C=C\CCCO)cc1OC2(C)C |t:1| Show InChI InChI=1S/C22H30O3/c1-15-9-10-18-17(12-15)21-19(24)13-16(8-6-4-5-7-11-23)14-20(21)25-22(18,2)3/h4,6,9,13-14,17-18,23-24H,5,7-8,10-12H2,1-3H3/b6-4+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	53.7	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Tested for binding affinity against Cannabinoid receptor 1 (CB1).				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083875 (3-(6-Amino-hex-2-ynyl)-6,6,9-trimethyl-6a,7,10,10a...) Show SMILES CC1=CCC2C(C1)c1c(O)cc(CC#CCCCN)cc1OC2(C)C |t:1| Show InChI InChI=1S/C22H29NO2/c1-15-9-10-18-17(12-15)21-19(24)13-16(8-6-4-5-7-11-23)14-20(21)25-22(18,2)3/h9,13-14,17-18,24H,5,7-8,10-12,23H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Tested for binding affinity against Cannabinoid receptor 1 (CB1).				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083844 (3-(6-Bromo-hex-2-ynyl)-6,6,9-trimethyl-6a,7,10,10a...) Show SMILES CC1=CCC2C(C1)c1c(O)cc(CC#CCCCBr)cc1OC2(C)C |t:1| Show InChI InChI=1S/C22H27BrO2/c1-15-9-10-18-17(12-15)21-19(24)13-16(8-6-4-5-7-11-23)14-20(21)25-22(18,2)3/h9,13-14,17-18,24H,5,7-8,10-12H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1.				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083845 (6,6,9-Trimethyl-3-oct-4-enyl-6a,7,10,10a-tetrahydr...) Show SMILES CCC\C=C\CCCc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1 |c:16| Show InChI InChI=1S/C24H34O2/c1-5-6-7-8-9-10-11-18-15-21(25)23-19-14-17(2)12-13-20(19)24(3,4)26-22(23)16-18/h7-8,12,15-16,19-20,25H,5-6,9-11,13-14H2,1-4H3/b8-7+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1.				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083846 (6-(1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydr...) Show SMILES CC1=CCC2C(C1)c1c(O)cc(CC#CCCC#N)cc1OC2(C)C |t:1| Show InChI InChI=1S/C22H25NO2/c1-15-9-10-18-17(12-15)21-19(24)13-16(8-6-4-5-7-11-23)14-20(21)25-22(18,2)3/h9,13-14,17-18,24H,5,7-8,10,12H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1.				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083847 (6,6,9-Trimethyl-3-(7-nitro-hept-2-enyl)-6a,7,10,10...) Show SMILES CC1=CCC2C(C1)c1c(O)cc(C\C=C\CCCC[N+]([O-])=O)cc1OC2(C)C |t:1| Show InChI InChI=1S/C23H31NO4/c1-16-10-11-19-18(13-16)22-20(25)14-17(15-21(22)28-23(19,2)3)9-7-5-4-6-8-12-24(26)27/h5,7,10,14-15,18-19,25H,4,6,8-9,11-13H2,1-3H3/b7-5+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	3.56	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Tested for binding affinity against Cannabinoid receptor 1 (CB1).				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083848 (3-But-3-ynyl-6,6,9-trimethyl-6a,7,10,10a-tetrahydr...) Show SMILES CC1=CCC2C(C1)c1c(O)cc(CCC#C)cc1OC2(C)C |t:1| Show InChI InChI=1S/C20H24O2/c1-5-6-7-14-11-17(21)19-15-10-13(2)8-9-16(15)20(3,4)22-18(19)12-14/h1,8,11-12,15-16,21H,6-7,9-10H2,2-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	367	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1.				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083849 (7-(1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydr...) Show SMILES CC1=CCC2C(C1)c1c(O)cc(C\C=C\CCCC#N)cc1OC2(C)C |t:1| Show InChI InChI=1S/C23H29NO2/c1-16-10-11-19-18(13-16)22-20(25)14-17(9-7-5-4-6-8-12-24)15-21(22)26-23(19,2)3/h5,7,10,14-15,18-19,25H,4,6,8-9,11,13H2,1-3H3/b7-5+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.25	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1.				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083851 (3-(4-Bromo-pent-2-ynyl)-6,6,9-trimethyl-6a,7,10,10...) Show SMILES CC(Br)C#CCc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1 |c:14| Show InChI InChI=1S/C21H25BrO2/c1-13-8-9-17-16(10-13)20-18(23)11-15(7-5-6-14(2)22)12-19(20)24-21(17,3)4/h8,11-12,14,16-17,23H,7,9-10H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Tested for binding affinity against Cannabinoid receptor 1 (CB1).				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083850 (3-Hepta-1,6-diynyl-6,6,9-trimethyl-6a,7,10,10a-tet...) Show SMILES CC1=CCC2C(C1)c1c(O)cc(cc1OC2(C)C)C#CCCCC#C |t:1| Show InChI InChI=1S/C23H26O2/c1-5-6-7-8-9-10-17-14-20(24)22-18-13-16(2)11-12-19(18)23(3,4)25-21(22)15-17/h1,11,14-15,18-19,24H,6-8,12-13H2,2-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1.				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083852 (3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl-6a,7,10,10...) Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1 |c:17| Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11,15-16,19-20,26H,7-10,12-14H2,1-6H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Tested for binding affinity against Cannabinoid receptor 1 (CB1).				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083853 (6,6,9-Trimethyl-3-oct-2-enyl-6a,7,10,10a-tetrahydr...) Show SMILES CCCCC\C=C\Cc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1 |c:16| Show InChI InChI=1S/C24H34O2/c1-5-6-7-8-9-10-11-18-15-21(25)23-19-14-17(2)12-13-20(19)24(3,4)26-22(23)16-18/h9-10,12,15-16,19-20,25H,5-8,11,13-14H2,1-4H3/b10-9+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	3.19	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1.				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083854 (5-(1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydr...) Show SMILES COC(=O)C#CCCc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1 |c:16| Show InChI InChI=1S/C22H26O4/c1-14-9-10-17-16(11-14)21-18(23)12-15(7-5-6-8-20(24)25-4)13-19(21)26-22(17,2)3/h9,12-13,16-17,23H,5,7,10-11H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1.				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083856 (6-(1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydr...) Show SMILES CC1=CCC2C(C1)c1c(O)cc(cc1OC2(C)C)C#CCCCC#N |t:1| Show InChI InChI=1S/C22H25NO2/c1-15-9-10-18-17(12-15)21-19(24)13-16(8-6-4-5-7-11-23)14-20(21)25-22(18,2)3/h9,13-14,17-18,24H,4-5,7,10,12H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1.				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083857 (6,6,9-Trimethyl-3-non-2-ynyl-6a,7,10,10a-tetrahydr...) Show SMILES CCCCCCC#CCc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1 |c:17| Show InChI InChI=1S/C25H34O2/c1-5-6-7-8-9-10-11-12-19-16-22(26)24-20-15-18(2)13-14-21(20)25(3,4)27-23(24)17-19/h13,16-17,20-21,26H,5-9,12,14-15H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1.				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083855 (7-(1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydr...) Show SMILES CC1=CCC2C(C1)c1c(O)cc(C=C=CCCCC(O)=O)cc1OC2(C)C |t:1,(8.46,-12.17,;8.42,-13.71,;7.05,-14.48,;7.05,-16.02,;8.39,-16.79,;9.74,-16.02,;9.74,-14.48,;11.06,-16.79,;12.4,-16.02,;12.36,-14.49,;13.74,-16.79,;13.74,-18.33,;15.06,-19.09,;16.4,-18.32,;17.72,-19.07,;19.06,-18.3,;20.38,-19.07,;21.72,-18.3,;23.03,-19.07,;24.35,-18.29,;23.03,-20.61,;12.4,-19.1,;11.06,-18.33,;9.74,-19.1,;8.39,-18.35,;7.88,-19.8,;6.95,-17.84,)| Show InChI InChI=1S/C23H28O4/c1-15-10-11-18-17(12-15)22-19(24)13-16(14-20(22)27-23(18,2)3)8-6-4-5-7-9-21(25)26/h4,8,10,13-14,17-18,24H,5,7,9,11-12H2,1-3H3,(H,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	3.17E+3	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1.				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083859 (3-(4-Bromo-but-2-ynyl)-6,6,9-trimethyl-6a,7,10,10a...) Show SMILES CC1=CCC2C(C1)c1c(O)cc(CC#CCBr)cc1OC2(C)C |t:1| Show InChI InChI=1S/C20H23BrO2/c1-13-7-8-16-15(10-13)19-17(22)11-14(6-4-5-9-21)12-18(19)23-20(16,2)3/h7,11-12,15-16,22H,6,8-10H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1.				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083858 (CHEMBL160120 | N-[6-(1-Hydroxy-6,6,9-trimethyl-6a,...) Show SMILES CC(=O)NCCC\C=C\Cc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1 |c:18| Show InChI InChI=1S/C24H33NO3/c1-16-10-11-20-19(13-16)23-21(27)14-18(15-22(23)28-24(20,3)4)9-7-5-6-8-12-25-17(2)26/h5,7,10,14-15,19-20,27H,6,8-9,11-13H2,1-4H3,(H,25,26)/b7-5+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	16.7	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Tested for binding affinity against Cannabinoid receptor 1 (CB1).				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083860 (6,6,9-Trimethyl-3-oct-3-ynyl-6a,7,10,10a-tetrahydr...) Show SMILES CCCCC#CCCc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1 |c:16| Show InChI InChI=1S/C24H32O2/c1-5-6-7-8-9-10-11-18-15-21(25)23-19-14-17(2)12-13-20(19)24(3,4)26-22(23)16-18/h12,15-16,19-20,25H,5-7,10-11,13-14H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1.				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083862 (6,6,9-Trimethyl-3-oct-2-ynyl-6a,7,10,10a-tetrahydr...) Show SMILES CCCCCC#CCc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1 |c:16| Show InChI InChI=1S/C24H32O2/c1-5-6-7-8-9-10-11-18-15-21(25)23-19-14-17(2)12-13-20(19)24(3,4)26-22(23)16-18/h12,15-16,19-20,25H,5-8,11,13-14H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Tested for binding affinity against Cannabinoid receptor 1 (CB1)				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083863 (3-Hept-1-ynyl-6,6,9-trimethyl-6a,7,10,10a-tetrahyd...) Show SMILES CCCCCC#Cc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1 |c:15| Show InChI InChI=1S/C23H30O2/c1-5-6-7-8-9-10-17-14-20(24)22-18-13-16(2)11-12-19(18)23(3,4)25-21(22)15-17/h11,14-15,18-19,24H,5-8,12-13H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Tested for binding affinity against Cannabinoid receptor 1 (CB1).				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083861 (6,6,9-Trimethyl-3-oct-3-enyl-6a,7,10,10a-tetrahydr...) Show SMILES CCCC\C=C\CCc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1 |c:16| Show InChI InChI=1S/C24H34O2/c1-5-6-7-8-9-10-11-18-15-21(25)23-19-14-17(2)12-13-20(19)24(3,4)26-22(23)16-18/h8-9,12,15-16,19-20,25H,5-7,10-11,13-14H2,1-4H3/b9-8+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	3.36	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1.				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083849 (7-(1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydr...) Show SMILES CC1=CCC2C(C1)c1c(O)cc(C\C=C\CCCC#N)cc1OC2(C)C |t:1| Show InChI InChI=1S/C23H29NO2/c1-16-10-11-19-18(13-16)22-20(25)14-17(9-7-5-4-6-8-12-24)15-21(22)26-23(19,2)3/h5,7,10,14-15,18-19,25H,4,6,8-9,11,13H2,1-3H3/b7-5+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.25	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1.				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083866 (3-Hept-1-enyl-6,6,9-trimethyl-6a,7,10,10a-tetrahyd...) Show SMILES CCCCC\C=C\c1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1 |c:15| Show InChI InChI=1S/C23H32O2/c1-5-6-7-8-9-10-17-14-20(24)22-18-13-16(2)11-12-19(18)23(3,4)25-21(22)15-17/h9-11,14-15,18-19,24H,5-8,12-13H2,1-4H3/b10-9+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1.				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083867 (3-(6-Methoxy-hex-2-enyl)-6,6,9-trimethyl-6a,7,10,1...) Show SMILES COCCC\C=C\Cc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1 |c:16| Show InChI InChI=1S/C23H32O3/c1-16-10-11-19-18(13-16)22-20(24)14-17(9-7-5-6-8-12-25-4)15-21(22)26-23(19,2)3/h5,7,10,14-15,18-19,24H,6,8-9,11-13H2,1-4H3/b7-5+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	11.5	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Tested for binding affinity against Cannabinoid receptor 1 (CB1).				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083868 (6,6,9-Trimethyl-3-octa-2,7-diynyl-6a,7,10,10a-tetr...) Show SMILES CC1=CCC2C(C1)c1c(O)cc(CC#CCCCC#C)cc1OC2(C)C |t:1| Show InChI InChI=1S/C24H28O2/c1-5-6-7-8-9-10-11-18-15-21(25)23-19-14-17(2)12-13-20(19)24(3,4)26-22(23)16-18/h1,12,15-16,19-20,25H,6-8,11,13-14H2,2-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Tested for binding affinity against Cannabinoid receptor 1 (CB1)				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083864 (6,6,9-Trimethyl-3-(6-nitro-hex-2-ynyl)-6a,7,10,10a...) Show SMILES CC1=CCC2C(C1)c1c(O)cc(CC#CCCC[N+]([O-])=O)cc1OC2(C)C |t:1| Show InChI InChI=1S/C22H27NO4/c1-15-9-10-18-17(12-15)21-19(24)13-16(14-20(21)27-22(18,2)3)8-6-4-5-7-11-23(25)26/h9,13-14,17-18,24H,5,7-8,10-12H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	5.34	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1.				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083865 (3-(5-Hydroxy-pent-2-ynyl)-6,6,9-trimethyl-6a,7,10,...) Show SMILES CC1=CCC2C(C1)c1c(O)cc(CC#CCCO)cc1OC2(C)C |t:1| Show InChI InChI=1S/C21H26O3/c1-14-8-9-17-16(11-14)20-18(23)12-15(7-5-4-6-10-22)13-19(20)24-21(17,2)3/h8,12-13,16-17,22-23H,6-7,9-11H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	448	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Tested for binding affinity against Cannabinoid receptor 1 (CB1).				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083872 (4-(1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydr...) Show SMILES COC(=O)C#CCc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1 |c:15| Show InChI InChI=1S/C21H24O4/c1-13-8-9-16-15(10-13)20-17(22)11-14(6-5-7-19(23)24-4)12-18(20)25-21(16,2)3/h8,11-12,15-16,22H,6,9-10H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	731	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1.				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083871 (3-Hex-2-ynyl-6,6,9-trimethyl-6a,7,10,10a-tetrahydr...) Show SMILES CCCC#CCc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1 |c:14| Show InChI InChI=1S/C22H28O2/c1-5-6-7-8-9-16-13-19(23)21-17-12-15(2)10-11-18(17)22(3,4)24-20(21)14-16/h10,13-14,17-18,23H,5-6,9,11-12H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1.				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083869 (3-(6-Fluoro-hex-2-enyl)-6,6,9-trimethyl-6a,7,10,10...) Show SMILES CC1=CCC2C(C1)c1c(O)cc(C\C=C\CCCF)cc1OC2(C)C |t:1| Show InChI InChI=1S/C22H29FO2/c1-15-9-10-18-17(12-15)21-19(24)13-16(8-6-4-5-7-11-23)14-20(21)25-22(18,2)3/h4,6,9,13-14,17-18,24H,5,7-8,10-12H2,1-3H3/b6-4+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	20.9	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Tested for binding affinity against Cannabinoid receptor 1 (CB1).				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083870 (1-Methoxy-6,6,9-trimethyl-3-oct-2-ynyl-6a,7,10,10a...) Show SMILES CCCCCC#CCc1cc(OC)c2C3CC(C)=CCC3C(C)(C)Oc2c1 |c:17| Show InChI InChI=1S/C25H34O2/c1-6-7-8-9-10-11-12-19-16-22(26-5)24-20-15-18(2)13-14-21(20)25(3,4)27-23(24)17-19/h13,16-17,20-21H,6-9,12,14-15H2,1-5H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	189	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1.				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083873 (CHEMBL161470 | N-[5-(1-Hydroxy-6,6,9-trimethyl-6a,...) Show SMILES CC(=O)NCCC#CCc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1 |c:17| Show InChI InChI=1S/C23H29NO3/c1-15-9-10-19-18(12-15)22-20(26)13-17(14-21(22)27-23(19,3)4)8-6-5-7-11-24-16(2)25/h9,13-14,18-19,26H,7-8,10-12H2,1-4H3,(H,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	307	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Tested for binding affinity against Cannabinoid receptor 1 (CB1).				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083876 (3-(6-Bromo-hex-2-enyl)-6,6,9-trimethyl-6a,7,10,10a...) Show SMILES CC1=CCC2C(C1)c1c(O)cc(C\C=C\CCCBr)cc1OC2(C)C |t:1| Show InChI InChI=1S/C22H29BrO2/c1-15-9-10-18-17(12-15)21-19(24)13-16(8-6-4-5-7-11-23)14-20(21)25-22(18,2)3/h4,6,9,13-14,17-18,24H,5,7-8,10-12H2,1-3H3/b6-4+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.66	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1.				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083874 (6,6,9-Trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]...) Show SMILES CC1=CCC2C(C1)c1c(O)cccc1OC2(C)C |t:1| Show InChI InChI=1S/C16H20O2/c1-10-7-8-12-11(9-10)15-13(17)5-4-6-14(15)18-16(12,2)3/h4-7,11-12,17H,8-9H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1.				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50083843 (6,6,9-Trimethyl-3-oct-4-ynyl-6a,7,10,10a-tetrahydr...) Show SMILES CCCC#CCCCc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1 |c:16| Show InChI InChI=1S/C24H32O2/c1-5-6-7-8-9-10-11-18-15-21(25)23-19-14-17(2)12-13-20(19)24(3,4)26-22(23)16-18/h12,15-16,19-20,25H,5-6,9-11,13-14H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1.				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair