Compile Data Set for Download or QSAR

Found 107 hits Enz. Inhib. hit(s) with all data for entry = 2500   

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))	BDBM21301 (7-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...) Show SMILES COc1cccc2c(cn(CC3CCOCC3)c12)C(=O)C1C(C)(C)C1(C)C Show InChI InChI=1S/C23H31NO3/c1-22(2)21(23(22,3)4)20(25)17-14-24(13-15-9-11-27-12-10-15)19-16(17)7-6-8-18(19)26-5/h6-8,14-15,21H,9-13H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21291 (6-methyl-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetrameth...) Show SMILES Cc1ccc2c(cn(CC3CCOCC3)c2c1)C(=O)C1C(C)(C)C1(C)C Show InChI InChI=1S/C23H31NO2/c1-15-6-7-17-18(20(25)21-22(2,3)23(21,4)5)14-24(19(17)12-15)13-16-8-10-26-11-9-16/h6-7,12,14,16,21H,8-11,13H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21284 (1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccccc23)C1(C)C Show InChI InChI=1S/C22H29NO2/c1-21(2)20(22(21,3)4)19(24)17-14-23(13-15-9-11-25-12-10-15)18-8-6-5-7-16(17)18/h5-8,14-15,20H,9-13H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.210	n/a	n/a	n/a	9.5	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21334 (1-(oxan-4-ylmethyl)-6-phenyl-3-[(2,2,3,3-tetrameth...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(ccc23)-c2ccccc2)C1(C)C Show InChI InChI=1S/C28H33NO2/c1-27(2)26(28(27,3)4)25(30)23-18-29(17-19-12-14-31-15-13-19)24-16-21(10-11-22(23)24)20-8-6-5-7-9-20/h5-11,16,18-19,26H,12-15,17H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.410	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21300 (6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...) Show SMILES COc1ccc2c(cn(CC3CCOCC3)c2c1)C(=O)C1C(C)(C)C1(C)C Show InChI InChI=1S/C23H31NO3/c1-22(2)21(23(22,3)4)20(25)18-14-24(13-15-8-10-27-11-9-15)19-12-16(26-5)6-7-17(18)19/h6-7,12,14-15,21H,8-11,13H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21290 (6-bromo-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethy...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(Br)ccc23)C1(C)C Show InChI InChI=1S/C22H28BrNO2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-11-15(23)5-6-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21307 (6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...) Show SMILES COc1cc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c2cc1O Show InChI InChI=1S/C23H31NO4/c1-22(2)21(23(22,3)4)20(26)16-13-24(12-14-6-8-28-9-7-14)17-11-19(27-5)18(25)10-15(16)17/h10-11,13-14,21,25H,6-9,12H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21304 (6-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetr...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(OCc4ccccc4)ccc23)C1(C)C Show InChI InChI=1S/C29H35NO3/c1-28(2)27(29(28,3)4)26(31)24-18-30(17-20-12-14-32-15-13-20)25-16-22(10-11-23(24)25)33-19-21-8-6-5-7-9-21/h5-11,16,18,20,27H,12-15,17,19H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.880	n/a	n/a	n/a	167	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21309 (5-(oxan-4-ylmethyl)-7-[(2,2,3,3-tetramethylcyclopr...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc4OCOc4cc23)C1(C)C Show InChI InChI=1S/C23H29NO4/c1-22(2)21(23(22,3)4)20(25)16-12-24(11-14-5-7-26-8-6-14)17-10-19-18(9-15(16)17)27-13-28-19/h9-10,12,14,21H,5-8,11,13H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	29.5	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.30	n/a	n/a	n/a	125	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21303 (5-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetr...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(OCc4ccccc4)cc23)C1(C)C Show InChI InChI=1S/C29H35NO3/c1-28(2)27(29(28,3)4)26(31)24-18-30(17-20-12-14-32-15-13-20)25-11-10-22(16-23(24)25)33-19-21-8-6-5-7-9-21/h5-11,16,18,20,27H,12-15,17,19H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21333 (Tetrahydropyranyl-methyl analogue, 54 | methyl 1-(...) Show SMILES COC(=O)c1ccc2c(cn(CC3CCOCC3)c2c1)C(=O)C1C(C)(C)C1(C)C Show InChI InChI=1S/C24H31NO4/c1-23(2)21(24(23,3)4)20(26)18-14-25(13-15-8-10-29-11-9-15)19-12-16(22(27)28-5)6-7-17(18)19/h6-7,12,14-15,21H,8-11,13H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21286 (5-fluoro-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetrameth...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(F)cc23)C1(C)C Show InChI InChI=1S/C22H28FNO2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-6-5-15(23)11-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	36.5	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21306 (5-(benzyloxy)-6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,...) Show SMILES COc1cc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c2cc1OCc1ccccc1 Show InChI InChI=1S/C30H37NO4/c1-29(2)28(30(29,3)4)27(32)23-18-31(17-20-11-13-34-14-12-20)24-16-25(33-5)26(15-22(23)24)35-19-21-9-7-6-8-10-21/h6-10,15-16,18,20,28H,11-14,17,19H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21295 (1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(O)cc23)C1(C)C Show InChI InChI=1S/C22H29NO3/c1-21(2)20(22(21,3)4)19(25)17-13-23(12-14-7-9-26-10-8-14)18-6-5-15(24)11-16(17)18/h5-6,11,13-14,20,24H,7-10,12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21289 (6-chloro-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetrameth...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(Cl)ccc23)C1(C)C Show InChI InChI=1S/C22H28ClNO2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-11-15(23)5-6-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21317 (4-{2-[6-(benzyloxy)-3-[(2,2,3,3-tetramethylcyclopr...) Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cc(OCc4ccccc4)ccc23)C1(C)C Show InChI InChI=1S/C29H36N2O3/c1-28(2)27(29(28,3)4)26(32)24-19-31(13-12-30-14-16-33-17-15-30)25-18-22(10-11-23(24)25)34-20-21-8-6-5-7-9-21/h5-11,18-19,27H,12-17,20H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21287 (5-chloro-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetrameth...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(Cl)cc23)C1(C)C Show InChI InChI=1S/C22H28ClNO2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-6-5-15(23)11-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	132	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21293 (6-methanesulfonyl-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(ccc23)S(C)(=O)=O)C1(C)C Show InChI InChI=1S/C23H31NO4S/c1-22(2)21(23(22,3)4)20(25)18-14-24(13-15-8-10-28-11-9-15)19-12-16(29(5,26)27)6-7-17(18)19/h6-7,12,14-15,21H,8-11,13H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21305 (7-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetr...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(OCc4ccccc4)cccc23)C1(C)C Show InChI InChI=1S/C29H35NO3/c1-28(2)27(29(28,3)4)26(31)23-18-30(17-20-13-15-32-16-14-20)25-22(23)11-8-12-24(25)33-19-21-9-6-5-7-10-21/h5-12,18,20,27H,13-17,19H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21297 (1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(O)cccc23)C1(C)C Show InChI InChI=1S/C22H29NO3/c1-21(2)20(22(21,3)4)19(25)16-13-23(12-14-8-10-26-11-9-14)18-15(16)6-5-7-17(18)24/h5-7,13-14,20,24H,8-12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21298 (4-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...) Show SMILES COc1cccc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c12 Show InChI InChI=1S/C23H31NO3/c1-22(2)21(23(22,3)4)20(25)16-14-24(13-15-9-11-27-12-10-15)17-7-6-8-18(26-5)19(16)17/h6-8,14-15,21H,9-13H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	91	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21292 (1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(ccc23)C(F)(F)F)C1(C)C Show InChI InChI=1S/C23H28F3NO2/c1-21(2)20(22(21,3)4)19(28)17-13-27(12-14-7-9-29-10-8-14)18-11-15(23(24,25)26)5-6-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21294 (1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cccc(O)c23)C1(C)C Show InChI InChI=1S/C22H29NO3/c1-21(2)20(22(21,3)4)19(25)15-13-23(12-14-8-10-26-11-9-14)16-6-5-7-17(24)18(15)16/h5-7,13-14,20,24H,8-12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	73	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					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	4.40	n/a	n/a	n/a	17.5	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21299 (5-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...) Show SMILES COc1ccc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c2c1 Show InChI InChI=1S/C23H31NO3/c1-22(2)21(23(22,3)4)20(25)18-14-24(13-15-8-10-27-11-9-15)19-7-6-16(26-5)12-17(18)19/h6-7,12,14-15,21H,8-11,13H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	101	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21285 (4,5,6,7-tetrafluoro-1-(oxan-4-ylmethyl)-3-[(2,2,3,...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(F)c(F)c(F)c(F)c23)C1(C)C Show InChI InChI=1S/C22H25F4NO2/c1-21(2)20(22(21,3)4)19(28)12-10-27(9-11-5-7-29-8-6-11)18-13(12)14(23)15(24)16(25)17(18)26/h10-11,20H,5-9H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21331 (1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(ccc23)C#N)C1(C)C Show InChI InChI=1S/C23H28N2O2/c1-22(2)21(23(22,3)4)20(26)18-14-25(13-15-7-9-27-10-8-15)19-11-16(12-24)5-6-17(18)19/h5-6,11,14-15,21H,7-10,13H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	53	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21288 (5-bromo-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethy...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(Br)cc23)C1(C)C Show InChI InChI=1S/C22H28BrNO2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-6-5-15(23)11-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.60	n/a	n/a	n/a	391	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21296 (1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(O)ccc23)C1(C)C Show InChI InChI=1S/C22H29NO3/c1-21(2)20(22(21,3)4)19(25)17-13-23(12-14-7-9-26-10-8-14)18-11-15(24)5-6-16(17)18/h5-6,11,13-14,20,24H,7-10,12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	18.5	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21310 (1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(N)cc23)C1(C)C Show InChI InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-6-5-15(23)11-16(17)18/h5-6,11,13-14,20H,7-10,12,23H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	15.5	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21302 (4-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetr...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cccc(OCc4ccccc4)c23)C1(C)C Show InChI InChI=1S/C29H35NO3/c1-28(2)27(29(28,3)4)26(31)22-18-30(17-20-13-15-32-16-14-20)23-11-8-12-24(25(22)23)33-19-21-9-6-5-7-10-21/h5-12,18,20,27H,13-17,19H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	502	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					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	11.5	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21284 (1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccccc23)C1(C)C Show InChI InChI=1S/C22H29NO2/c1-21(2)20(22(21,3)4)19(24)17-14-23(13-15-9-11-25-12-10-15)18-8-6-5-7-16(17)18/h5-8,14-15,20H,9-13H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	12	-46.0	n/a	n/a	n/a	n/a	n/a	7.4	30
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21290 (6-bromo-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethy...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(Br)ccc23)C1(C)C Show InChI InChI=1S/C22H28BrNO2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-11-15(23)5-6-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	-45.8	n/a	n/a	n/a	n/a	n/a	7.4	30
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	13.3	-45.7	n/a	n/a	n/a	n/a	n/a	7.4	30
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21289 (6-chloro-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetrameth...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(Cl)ccc23)C1(C)C Show InChI InChI=1S/C22H28ClNO2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-11-15(23)5-6-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	-45.6	n/a	n/a	n/a	n/a	n/a	7.4	30
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21308 (1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(O)c(O)cc23)C1(C)C Show InChI InChI=1S/C22H29NO4/c1-21(2)20(22(21,3)4)19(26)15-12-23(11-13-5-7-27-8-6-13)16-10-18(25)17(24)9-14(15)16/h9-10,12-13,20,24-25H,5-8,11H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21333 (Tetrahydropyranyl-methyl analogue, 54 | methyl 1-(...) Show SMILES COC(=O)c1ccc2c(cn(CC3CCOCC3)c2c1)C(=O)C1C(C)(C)C1(C)C Show InChI InChI=1S/C24H31NO4/c1-23(2)21(24(23,3)4)20(26)18-14-25(13-15-8-10-29-11-9-15)19-12-16(22(27)28-5)6-7-17(18)19/h6-7,12,14-15,21H,8-11,13H2,1-5H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21328 (5-(methoxymethyl)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-...) Show SMILES COCc1ccc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c2c1 Show InChI InChI=1S/C24H33NO3/c1-23(2)22(24(23,3)4)21(26)19-14-25(13-16-8-10-28-11-9-16)20-7-6-17(15-27-5)12-18(19)20/h6-7,12,14,16,22H,8-11,13,15H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	74.5	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21318 (4-(2-{2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)...) Show SMILES Cc1c(C(=O)C2C(C)(C)C2(C)C)c2ccccc2n1CCN1CCOCC1 Show InChI InChI=1S/C23H32N2O2/c1-16-19(20(26)21-22(2,3)23(21,4)5)17-8-6-7-9-18(17)25(16)11-10-24-12-14-27-15-13-24/h6-9,21H,10-15H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	362	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21291 (6-methyl-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetrameth...) Show SMILES Cc1ccc2c(cn(CC3CCOCC3)c2c1)C(=O)C1C(C)(C)C1(C)C Show InChI InChI=1S/C23H31NO2/c1-15-6-7-17-18(20(25)21-22(2,3)23(21,4)5)14-24(19(17)12-15)13-16-8-10-26-11-9-16/h6-7,12,14,16,21H,8-11,13H2,1-5H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	28	-43.8	n/a	n/a	n/a	n/a	n/a	7.4	30
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21309 (5-(oxan-4-ylmethyl)-7-[(2,2,3,3-tetramethylcyclopr...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc4OCOc4cc23)C1(C)C Show InChI InChI=1S/C23H29NO4/c1-22(2)21(23(22,3)4)20(25)16-12-24(11-14-5-7-26-8-6-14)17-10-19-18(9-15(16)17)27-13-28-19/h9-10,12,14,21H,5-8,11,13H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	28	-43.8	n/a	n/a	n/a	n/a	n/a	7.4	30
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21325 (1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(cc23)C#N)C1(C)C Show InChI InChI=1S/C23H28N2O2/c1-22(2)21(23(22,3)4)20(26)18-14-25(13-15-7-9-27-10-8-15)19-6-5-16(12-24)11-17(18)19/h5-6,11,14-15,21H,7-10,13H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	263	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21331 (1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(ccc23)C#N)C1(C)C Show InChI InChI=1S/C23H28N2O2/c1-22(2)21(23(22,3)4)20(26)18-14-25(13-15-7-9-27-10-8-15)19-11-16(12-24)5-6-17(18)19/h5-6,11,14-15,21H,7-10,13H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21320 (1-[2-(morpholin-4-yl)ethyl]-3-[(2,2,3,3-tetramethy...) Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cccc(N)c23)C1(C)C Show InChI InChI=1S/C22H31N3O2/c1-21(2)20(22(21,3)4)19(26)15-14-25(9-8-24-10-12-27-13-11-24)17-7-5-6-16(23)18(15)17/h5-7,14,20H,8-13,23H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	215	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21304 (6-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetr...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(OCc4ccccc4)ccc23)C1(C)C Show InChI InChI=1S/C29H35NO3/c1-28(2)27(29(28,3)4)26(31)24-18-30(17-20-12-14-32-15-13-20)25-16-22(10-11-23(24)25)33-19-21-8-6-5-7-9-21/h5-11,16,18,20,27H,12-15,17,19H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	33	-43.4	n/a	n/a	n/a	n/a	n/a	7.4	30
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21282 (2-methyl-3-(naphthalen-1-ylcarbonyl)-1-propyl-1H-i...) Show SMILES CCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	35	n/a	n/a	n/a	798	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21300 (6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...) Show SMILES COc1ccc2c(cn(CC3CCOCC3)c2c1)C(=O)C1C(C)(C)C1(C)C Show InChI InChI=1S/C23H31NO3/c1-22(2)21(23(22,3)4)20(25)18-14-24(13-15-8-10-27-11-9-15)19-12-16(26-5)6-7-17(18)19/h6-7,12,14-15,21H,8-11,13H2,1-5H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	40	-42.9	n/a	n/a	n/a	n/a	n/a	7.4	30
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21301 (7-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...) Show SMILES COc1cccc2c(cn(CC3CCOCC3)c12)C(=O)C1C(C)(C)C1(C)C Show InChI InChI=1S/C23H31NO3/c1-22(2)21(23(22,3)4)20(25)17-14-24(13-15-9-11-27-12-10-15)19-16(17)7-6-8-18(19)26-5/h6-8,14-15,21H,9-13H2,1-5H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	45	-42.6	n/a	n/a	n/a	n/a	n/a	7.4	30
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 107 total )  |  Next  |  Last  >>

Jump to: