Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50003905   

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))	BDBM50063885 ((-)-2-(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-1-hy...) Show SMILES CCCCCCC1(SCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:20| Show InChI InChI=1S/C25H36O2S2/c1-5-6-7-8-11-25(28-12-13-29-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.324	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50063884 ((6aR,10aR)-3-(1-Hexyl-cyclopropyl)-6,6,9-trimethyl...) Show SMILES CCCCCCC1(CC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:18| Show InChI InChI=1S/C25H36O2/c1-5-6-7-8-11-25(12-13-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.437	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50130623 ((6aR,10aR)-3-(1-hexylcyclopentyl)-6,6,9-trimethyl-...) Show SMILES CCCCCCC1(CCCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20| Show InChI InChI=1S/C27H40O2/c1-5-6-7-8-13-27(14-9-10-15-27)20-17-23(28)25-21-16-19(2)11-12-22(21)26(3,4)29-24(25)18-20/h11,17-18,21-22,28H,5-10,12-16H2,1-4H3/t21-,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.447	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50130624 ((6aR,10aR)-3-(2-hexyl-1,3-dioxolan-2-yl)-6,6,9-tri...) Show SMILES CCCCCCC1(OCCO1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20| Show InChI InChI=1S/C25H36O4/c1-5-6-7-8-11-25(27-12-13-28-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)29-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.525	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50121428 ((6aR,10aR)-3-(2,2-Dibromo-1-hexyl-cyclopropyl)-6,6...) Show SMILES CCCCCCC1(CC1(Br)Br)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20| Show InChI InChI=1S/C25H34Br2O2/c1-5-6-7-8-11-24(15-25(24,26)27)17-13-20(28)22-18-12-16(2)9-10-19(18)23(3,4)29-21(22)14-17/h9,13-14,18-19,28H,5-8,10-12,15H2,1-4H3/t18-,19-,24?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.708	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50067735 ((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...) Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(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/t19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.832	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50121425 ((6aR,10aR)-3-(2,2-Dichloro-1-hexyl-cyclopropyl)-6,...) Show SMILES CCCCCCC1(CC1(Cl)Cl)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20| Show InChI InChI=1S/C25H34Cl2O2/c1-5-6-7-8-11-24(15-25(24,26)27)17-13-20(28)22-18-12-16(2)9-10-19(18)23(3,4)29-21(22)14-17/h9,13-14,18-19,28H,5-8,10-12,15H2,1-4H3/t18-,19-,24?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50130626 ((6aR,10aR)-3-(2-hexyl-1,3-dithian-2-yl)-6,6,9-trim...) Show SMILES CCCCCCC1(SCCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:21| Show InChI InChI=1S/C26H38O2S2/c1-5-6-7-8-12-26(29-13-9-14-30-26)19-16-22(27)24-20-15-18(2)10-11-21(20)25(3,4)28-23(24)17-19/h10,16-17,20-21,27H,5-9,11-15H2,1-4H3/t20-,21-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50213609 ((6aR,10aR)-6,6,9-trimethyl-3-(oct-1-en-2-yl)-6a,7,...) Show SMILES CCCCCCC(=C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:16| Show InChI InChI=1S/C24H34O2/c1-6-7-8-9-10-17(3)18-14-21(25)23-19-13-16(2)11-12-20(19)24(4,5)26-22(23)15-18/h11,14-15,19-20,25H,3,6-10,12-13H2,1-2,4-5H3/t19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50179985 (1-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(CCCCC1)C#N |t:1| Show InChI InChI=1S/C23H29NO2/c1-15-7-8-18-17(11-15)21-19(25)12-16(13-20(21)26-22(18,2)3)23(14-24)9-5-4-6-10-23/h7,12-13,17-18,25H,4-6,8-11H2,1-3H3/t17-,18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50179978 ((6aR,10aR)-6,6,9-trimethyl-3-(naphthalen-1-yl)-6a,...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)-c1cccc2ccccc12 |t:1| Show InChI InChI=1S/C26H26O2/c1-16-11-12-22-21(13-16)25-23(27)14-18(15-24(25)28-26(22,2)3)20-10-6-8-17-7-4-5-9-19(17)20/h4-11,14-15,21-22,27H,12-13H2,1-3H3/t21-,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50063886 (1-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...) Show SMILES CCCCCCC(=O)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:16| Show InChI InChI=1S/C23H32O3/c1-5-6-7-8-9-19(24)16-13-20(25)22-17-12-15(2)10-11-18(17)23(3,4)26-21(22)14-16/h10,13-14,17-18,25H,5-9,11-12H2,1-4H3/t17-,18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50080030 ((6aR,10aR)-3-Heptyl-6,6,9-trimethyl-6a,7,10,10a-te...) Show SMILES CCCCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:15| Show InChI InChI=1S/C23H34O2/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,5-10,12-13H2,1-4H3/t18-,19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50179980 (1-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(CCCC1)C#N |t:1| Show InChI InChI=1S/C22H27NO2/c1-14-6-7-17-16(10-14)20-18(24)11-15(12-19(20)25-21(17,2)3)22(13-23)8-4-5-9-22/h6,11-12,16-17,24H,4-5,7-10H2,1-3H3/t16-,17-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50130625 ((6aR,10aR)-3-(2-hexyl-4,5-dimethyl-1,3-dithiolan-2...) Show SMILES CCCCCCC1(SC(C)C(C)S1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:22| Show InChI InChI=1S/C27H40O2S2/c1-7-8-9-10-13-27(30-18(3)19(4)31-27)20-15-23(28)25-21-14-17(2)11-12-22(21)26(5,6)29-24(25)16-20/h11,15-16,18-19,21-22,28H,7-10,12-14H2,1-6H3/t18?,19?,21-,22-,27?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50067734 ((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...) Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50130622 ((6aR,10aR)-3-(2-hexylbenzo[d][1,3]dithiol-2-yl)-6,...) Show SMILES CCCCCCC1(Sc2ccccc2S1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:25| Show InChI InChI=1S/C29H36O2S2/c1-5-6-7-10-15-29(32-25-11-8-9-12-26(25)33-29)20-17-23(30)27-21-16-19(2)13-14-22(21)28(3,4)31-24(27)18-20/h8-9,11-13,17-18,21-22,30H,5-7,10,14-16H2,1-4H3/t21-,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50179983 ((6aR,10aR)-6,6,9-trimethyl-3-(4-propyl-phenyl)-6a,...) Show SMILES CCCc1ccc(cc1)-c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:18| Show InChI InChI=1S/C25H30O2/c1-5-6-17-8-10-18(11-9-17)19-14-22(26)24-20-13-16(2)7-12-21(20)25(3,4)27-23(24)15-19/h7-11,14-15,20-21,26H,5-6,12-13H2,1-4H3/t20-,21-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50213606 (5-(1-hexyl-cyclopropyl)-2-((R)-6-isopropenyl-3-met...) Show SMILES CCCCCCC1(CC1)c1cc(O)c([C@@H]2C=C(C)CCC2C(C)=C)c(O)c1 |w:20.22,t:16| Show InChI InChI=1S/C25H36O2/c1-5-6-7-8-11-25(12-13-25)19-15-22(26)24(23(27)16-19)21-14-18(4)9-10-20(21)17(2)3/h14-16,20-21,26-27H,2,5-13H2,1,3-4H3/t20?,21-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50179982 ((6aR,10aR)-6,6,9-trimethyl-3-p-tolyl-6a,7,10,10a-t...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)-c1ccc(C)cc1 |t:1| Show InChI InChI=1S/C23H26O2/c1-14-5-8-16(9-6-14)17-12-20(24)22-18-11-15(2)7-10-19(18)23(3,4)25-21(22)13-17/h5-9,12-13,18-19,24H,10-11H2,1-4H3/t18-,19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50179986 ((6aR,10aR)-3-(4-ethyl-phenyl)-6,6,9-trimethyl-6a,7...) Show SMILES CCc1ccc(cc1)-c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:17| Show InChI InChI=1S/C24H28O2/c1-5-16-7-9-17(10-8-16)18-13-21(25)23-19-12-15(2)6-11-20(19)24(3,4)26-22(23)14-18/h6-10,13-14,19-20,25H,5,11-12H2,1-4H3/t19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50213595 (5-(2-hexyl-1,3-dithiolan-2-yl)-2-((1R)-3-methyl-6-...) Show SMILES CCCCCCC1(SCCS1)c1cc(O)c([C@@H]2C=C(C)CCC2C(C)=C)c(O)c1 |w:22.24,t:18| Show InChI InChI=1S/C25H36O2S2/c1-5-6-7-8-11-25(28-12-13-29-25)19-15-22(26)24(23(27)16-19)21-14-18(4)9-10-20(21)17(2)3/h14-16,20-21,26-27H,2,5-13H2,1,3-4H3/t20?,21-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50130627 ((6aR,10aR)-3-(1,3-dithiolan-2-yl)-6,6,9-trimethyl-...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1SCCS1 |t:1| Show InChI InChI=1S/C19H24O2S2/c1-11-4-5-14-13(8-11)17-15(20)9-12(18-22-6-7-23-18)10-16(17)21-19(14,2)3/h4,9-10,13-14,18,20H,5-8H2,1-3H3/t13-,14-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50213608 (5-(2,2-dibromo-1-hexyl-cyclopropyl)-2-((R)-6-isopr...) Show SMILES CCCCCCC1(CC1(Br)Br)c1cc(O)c([C@@H]2C=C(C)CCC2C(C)=C)c(O)c1 |w:22.24,6.5,t:18| Show InChI InChI=1S/C25H34Br2O2/c1-5-6-7-8-11-24(15-25(24,26)27)18-13-21(28)23(22(29)14-18)20-12-17(4)9-10-19(20)16(2)3/h12-14,19-20,28-29H,2,5-11,15H2,1,3-4H3/t19?,20-,24?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	191	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50213600 (1-(3,5-dihydroxy-4-((1R)-3-methyl-6-(prop-1-en-2-y...) Show SMILES CC(=C)C1CCC(C)=C[C@H]1c1c(O)cc(cc1O)C1(CCCC1)C#N |w:3.2,c:7| Show InChI InChI=1S/C22H27NO2/c1-14(2)17-7-6-15(3)10-18(17)21-19(24)11-16(12-20(21)25)22(13-23)8-4-5-9-22/h10-12,17-18,24-25H,1,4-9H2,2-3H3/t17?,18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	257	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50213597 (1-(3,5-dihydroxy-4-((1R)-3-methyl-6-(prop-1-en-2-y...) Show SMILES CC(=C)C1CCC(C)=C[C@H]1c1c(O)cc(cc1O)C1(CCCCC1)C#N |w:3.2,c:7| Show InChI InChI=1S/C23H29NO2/c1-15(2)18-8-7-16(3)11-19(18)22-20(25)12-17(13-21(22)26)23(14-24)9-5-4-6-10-23/h11-13,18-19,25-26H,1,4-10H2,2-3H3/t18?,19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50213602 (4-((R)-6-isopropenyl-3-methyl-cyclohex-2-enyl)-4'-...) Show SMILES CC(=C)C1CCC(C)=C[C@H]1c1c(O)cc(cc1O)-c1ccc(C)cc1 |w:3.2,c:7| Show InChI InChI=1S/C23H26O2/c1-14(2)19-10-7-16(4)11-20(19)23-21(24)12-18(13-22(23)25)17-8-5-15(3)6-9-17/h5-6,8-9,11-13,19-20,24-25H,1,7,10H2,2-4H3/t19?,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50213596 (5-(2,2-dichloro-1-hexyl-cyclopropyl)-2-((R)-6-isop...) Show SMILES CCCCCCC1(CC1(Cl)Cl)c1cc(O)c([C@@H]2C=C(C)CCC2C(C)=C)c(O)c1 |w:22.24,6.5,t:18| Show InChI InChI=1S/C25H34Cl2O2/c1-5-6-7-8-11-24(15-25(24,26)27)18-13-21(28)23(22(29)14-18)20-12-17(4)9-10-19(20)16(2)3/h12-14,19-20,28-29H,2,5-11,15H2,1,3-4H3/t19?,20-,24?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	661	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50213598 (2-((1R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-enyl...) Show SMILES CC(=C)C1CCC(C)=C[C@H]1c1c(O)cc(cc1O)-c1cccc2ccccc12 |w:3.2,c:7| Show InChI InChI=1S/C26H26O2/c1-16(2)20-12-11-17(3)13-23(20)26-24(27)14-19(15-25(26)28)22-10-6-8-18-7-4-5-9-21(18)22/h4-10,13-15,20,23,27-28H,1,11-12H2,2-3H3/t20?,23-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	759	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50213604 (2-((1R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-enyl...) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CCC2C(C)=C)c(O)c1 |w:16.17,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17?,18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair