Compile Data Set for Download or QSAR

Found 132 hits Enz. Inhib. hit(s) with all data for entry = 6497   

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))	BDBM133313 (US8846730, 79) Show SMILES CC(C)NOc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C23H30F3N3O3S/c1-14(2)28-32-18-9-8-15(23(24,25)26)11-17(18)20(30)27-21-29(12-16-7-6-10-31-16)13-19(33-21)22(3,4)5/h8-9,11,13-14,16,28H,6-7,10,12H2,1-5H3/b27-21-/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	-55.3	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133307 (US8846730, 72) Show SMILES CC(C)(C)C(=O)COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C26H33F3N2O4S/c1-24(2,3)20(32)15-35-19-10-9-16(26(27,28)29)12-18(19)22(33)30-23-31(13-17-8-7-11-34-17)14-21(36-23)25(4,5)6/h9-10,12,14,17H,7-8,11,13,15H2,1-6H3/b30-23-/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	-55.3	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133276 (US8846730, 23) Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OC[C@@H]2CCCO2)C(F)(F)F)s1 Show InChI InChI=1S/C25H31F3N2O4S/c1-24(2,3)21-14-30(13-17-6-4-10-32-17)23(35-21)29-22(31)19-12-16(25(26,27)28)8-9-20(19)34-15-18-7-5-11-33-18/h8-9,12,14,17-18H,4-7,10-11,13,15H2,1-3H3/b29-23-/t17-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	-55.3	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133287 (US8846730, 40) Show SMILES CC(C)(C)OC(=O)NNc1ccc(cc1C(=O)\N=c1\sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C25H33F3N4O4S/c1-23(2,3)19-14-32(13-16-8-7-11-35-16)21(37-19)29-20(33)17-12-15(25(26,27)28)9-10-18(17)30-31-22(34)36-24(4,5)6/h9-10,12,14,16,30H,7-8,11,13H2,1-6H3,(H,31,34)/b29-21+/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	-55.3	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM133287 (US8846730, 40) Show SMILES CC(C)(C)OC(=O)NNc1ccc(cc1C(=O)\N=c1\sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C25H33F3N4O4S/c1-23(2,3)19-14-32(13-16-8-7-11-35-16)21(37-19)29-20(33)17-12-15(25(26,27)28)9-10-18(17)30-31-22(34)36-24(4,5)6/h9-10,12,14,16,30H,7-8,11,13H2,1-6H3,(H,31,34)/b29-21+/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.400	-54.5	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM133276 (US8846730, 23) Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OC[C@@H]2CCCO2)C(F)(F)F)s1 Show InChI InChI=1S/C25H31F3N2O4S/c1-24(2,3)21-14-30(13-17-6-4-10-32-17)23(35-21)29-22(31)19-12-16(25(26,27)28)8-9-20(19)34-15-18-7-5-11-33-18/h8-9,12,14,17-18H,4-7,10-11,13,15H2,1-3H3/b29-23-/t17-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-54.0	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133308 (US8846730, 73) Show SMILES CC(COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F)=NO |w:32.35| Show InChI InChI=1S/C23H28F3N3O4S/c1-14(28-31)13-33-18-8-7-15(23(24,25)26)10-17(18)20(30)27-21-29(11-16-6-5-9-32-16)12-19(34-21)22(2,3)4/h7-8,10,12,16,31H,5-6,9,11,13H2,1-4H3/b27-21-,28-14+/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-54.0	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM9807 (US8846730, 50) Show SMILES CC(C)(O)CCOc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C25H33F3N2O4S/c1-23(2,3)20-15-30(14-17-7-6-11-33-17)22(35-20)29-21(31)18-13-16(25(26,27)28)8-9-19(18)34-12-10-24(4,5)32/h8-9,13,15,17,32H,6-7,10-12,14H2,1-5H3/b29-22-/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-54.0	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133313 (US8846730, 79) Show SMILES CC(C)NOc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C23H30F3N3O3S/c1-14(2)28-32-18-9-8-15(23(24,25)26)11-17(18)20(30)27-21-29(12-16-7-6-10-31-16)13-19(33-21)22(3,4)5/h8-9,11,13-14,16,28H,6-7,10,12H2,1-5H3/b27-21-/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-54.0	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133275 (US8846730, 22) Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OC[C@H]2CCCO2)C(F)(F)F)s1 Show InChI InChI=1S/C25H31F3N2O4S/c1-24(2,3)21-14-30(13-17-6-4-10-32-17)23(35-21)29-22(31)19-12-16(25(26,27)28)8-9-20(19)34-15-18-7-5-11-33-18/h8-9,12,14,17-18H,4-7,10-11,13,15H2,1-3H3/b29-23-/t17-,18-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-54.0	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133315 (US8846730, 81) Show SMILES C[C@@H](O)COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C23H29F3N2O4S/c1-14(29)13-32-18-8-7-15(23(24,25)26)10-17(18)20(30)27-21-28(11-16-6-5-9-31-16)12-19(33-21)22(2,3)4/h7-8,10,12,14,16,29H,5-6,9,11,13H2,1-4H3/b27-21-/t14-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-54.0	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM133316 (US8846730, 83) Show SMILES CC(C)(C)c1cn(CC2CCCO2)\c(=N\C(=O)c2cc(ccc2ON=C2CCCC2)C(F)(F)F)s1 |(-5.42,15.18,;-6.33,13.94,;-5.08,13.03,;-7.57,14.84,;-7.23,12.69,;-8.77,12.69,;-9.25,11.23,;-10.71,10.75,;-11.86,11.78,;-13.36,11.46,;-14.13,12.79,;-13.1,13.94,;-11.7,13.31,;-8,10.32,;-8,8.78,;-6.67,8.01,;-5.33,8.78,;-6.67,6.47,;-8,5.7,;-8,4.16,;-6.67,3.39,;-5.33,4.16,;-5.33,5.7,;-4,6.47,;-2.67,5.7,;-2.67,4.16,;-1.42,3.25,;-1.9,1.79,;-3.44,1.79,;-3.91,3.25,;-9.34,3.39,;-10.67,2.62,;-10.11,4.72,;-8.57,2.06,;-6.76,11.23,)| Show InChI InChI=1S/C25H30F3N3O3S/c1-24(2,3)21-15-31(14-18-9-6-12-33-18)23(35-21)29-22(32)19-13-16(25(26,27)28)10-11-20(19)34-30-17-7-4-5-8-17/h10-11,13,15,18H,4-9,12,14H2,1-3H3/b29-23-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-54.0	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM9651 (US8846730, 4) Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OC[C@@H]2CCCCN2)C(F)(F)F)s1 Show InChI InChI=1S/C26H34F3N3O3S/c1-25(2,3)22-15-32(14-19-8-6-12-34-19)24(36-22)31-23(33)20-13-17(26(27,28)29)9-10-21(20)35-16-18-7-4-5-11-30-18/h9-10,13,15,18-19,30H,4-8,11-12,14,16H2,1-3H3/b31-24-/t18-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	-53.5	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM9652 (US8846730, 5) Show SMILES CN1CCCC[C@H]1COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C27H36F3N3O3S/c1-26(2,3)23-16-33(15-20-9-7-13-35-20)25(37-23)31-24(34)21-14-18(27(28,29)30)10-11-22(21)36-17-19-8-5-6-12-32(19)4/h10-11,14,16,19-20H,5-9,12-13,15,17H2,1-4H3/b31-25-/t19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.700	-53.1	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM9651 (US8846730, 4) Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OC[C@@H]2CCCCN2)C(F)(F)F)s1 Show InChI InChI=1S/C26H34F3N3O3S/c1-25(2,3)22-15-32(14-19-8-6-12-34-19)24(36-22)31-23(33)20-13-17(26(27,28)29)9-10-21(20)35-16-18-7-4-5-11-30-18/h9-10,13,15,18-19,30H,4-8,11-12,14,16H2,1-3H3/b31-24-/t18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.700	-53.1	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM9842 (US8846730, 65 | US8846730, 76) Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C24H32F3N3O3S/c1-22(2,3)19-14-30(13-16-8-7-11-32-16)21(34-19)28-20(31)17-12-15(24(25,26)27)9-10-18(17)33-29-23(4,5)6/h9-10,12,14,16,29H,7-8,11,13H2,1-6H3/b28-21-/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	-52.8	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133294 (US8846730, 51) Show SMILES CN1CCC[C@H]1COc1ccc(cc1C(=S)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C26H34F3N3O2S2/c1-25(2,3)22-15-32(14-19-8-6-12-33-19)24(36-22)30-23(35)20-13-17(26(27,28)29)9-10-21(20)34-16-18-7-5-11-31(18)4/h9-10,13,15,18-19H,5-8,11-12,14,16H2,1-4H3/b30-24-/t18-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	-52.5	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM133307 (US8846730, 72) Show SMILES CC(C)(C)C(=O)COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C26H33F3N2O4S/c1-24(2,3)20(32)15-35-19-10-9-16(26(27,28)29)12-18(19)22(33)30-23-31(13-17-8-7-11-34-17)14-21(36-23)25(4,5)6/h9-10,12,14,17H,7-8,11,13,15H2,1-6H3/b30-23-/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	-52.5	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM9812 (US8846730, 69) Show SMILES Clc1ccc(OCCCC(=O)NN\C=C2/C=CC=CC2=O)c(Cl)c1 |c:15,17| Show InChI InChI=1S/C17H16Cl2N2O3/c18-13-7-8-16(14(19)10-13)24-9-3-6-17(23)21-20-11-12-4-1-2-5-15(12)22/h1-2,4-5,7-8,10-11,20H,3,6,9H2,(H,21,23)/b12-11+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	-52.5	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM133315 (US8846730, 81) Show SMILES C[C@@H](O)COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C23H29F3N2O4S/c1-14(29)13-32-18-8-7-15(23(24,25)26)10-17(18)20(30)27-21-28(11-16-6-5-9-31-16)12-19(33-21)22(2,3)4/h7-8,10,12,14,16,29H,5-6,9,11,13H2,1-4H3/b27-21-/t14-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	-52.0	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM133310 (US8846730, 75) Show SMILES CC(=O)NOc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C22H26F3N3O4S/c1-13(29)27-32-17-8-7-14(22(23,24)25)10-16(17)19(30)26-20-28(11-15-6-5-9-31-15)12-18(33-20)21(2,3)4/h7-8,10,12,15H,5-6,9,11H2,1-4H3,(H,27,29)/b26-20-/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	-51.8	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133316 (US8846730, 83) Show SMILES CC(C)(C)c1cn(CC2CCCO2)\c(=N\C(=O)c2cc(ccc2ON=C2CCCC2)C(F)(F)F)s1 |(-5.42,15.18,;-6.33,13.94,;-5.08,13.03,;-7.57,14.84,;-7.23,12.69,;-8.77,12.69,;-9.25,11.23,;-10.71,10.75,;-11.86,11.78,;-13.36,11.46,;-14.13,12.79,;-13.1,13.94,;-11.7,13.31,;-8,10.32,;-8,8.78,;-6.67,8.01,;-5.33,8.78,;-6.67,6.47,;-8,5.7,;-8,4.16,;-6.67,3.39,;-5.33,4.16,;-5.33,5.7,;-4,6.47,;-2.67,5.7,;-2.67,4.16,;-1.42,3.25,;-1.9,1.79,;-3.44,1.79,;-3.91,3.25,;-9.34,3.39,;-10.67,2.62,;-10.11,4.72,;-8.57,2.06,;-6.76,11.23,)| Show InChI InChI=1S/C25H30F3N3O3S/c1-24(2,3)21-15-31(14-18-9-6-12-33-18)23(35-21)29-22(32)19-13-16(25(26,27)28)10-11-20(19)34-30-17-7-4-5-8-17/h10-11,13,15,18H,4-9,12,14H2,1-3H3/b29-23-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	-51.8	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM133294 (US8846730, 51) Show SMILES CN1CCC[C@H]1COc1ccc(cc1C(=S)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C26H34F3N3O2S2/c1-25(2,3)22-15-32(14-19-8-6-12-33-19)24(36-22)30-23(35)20-13-17(26(27,28)29)9-10-21(20)34-16-18-7-5-11-31(18)4/h9-10,13,15,18-19H,5-8,11-12,14,16H2,1-4H3/b30-24-/t18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.30	-51.6	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM9807 (US8846730, 50) Show SMILES CC(C)(O)CCOc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C25H33F3N2O4S/c1-23(2,3)20-15-30(14-17-7-6-11-33-17)22(35-20)29-21(31)18-13-16(25(26,27)28)8-9-19(18)34-12-10-24(4,5)32/h8-9,13,15,17,32H,6-7,10-12,14H2,1-5H3/b29-22-/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.30	-51.6	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM9652 (US8846730, 5) Show SMILES CN1CCCC[C@H]1COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C27H36F3N3O3S/c1-26(2,3)23-16-33(15-20-9-7-13-35-20)25(37-23)31-24(34)21-14-18(27(28,29)30)10-11-22(21)36-17-19-8-5-6-12-32(19)4/h10-11,14,16,19-20H,5-9,12-13,15,17H2,1-4H3/b31-25-/t19-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.40	-51.4	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133297 (US8846730, 54) Show SMILES CN1C[C@H](F)C[C@H]1COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C26H33F4N3O3S/c1-25(2,3)22-14-33(13-19-6-5-9-35-19)24(37-22)31-23(34)20-10-16(26(28,29)30)7-8-21(20)36-15-18-11-17(27)12-32(18)4/h7-8,10,14,17-19H,5-6,9,11-13,15H2,1-4H3/b31-24-/t17-,18+,19-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.5	-51.2	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM9880 (US8846730, 82) Show SMILES CC(C)(C)CO\C=N\CCCOc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C29H40F3N3O4S/c1-27(2,3)18-37-19-33-12-8-14-39-23-11-10-20(29(30,31)32)15-22(23)25(36)34-26-35(16-21-9-7-13-38-21)17-24(40-26)28(4,5)6/h10-11,15,17,19,21H,7-9,12-14,16,18H2,1-6H3/b33-19+,34-26-/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70	-50.9	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133286 (US8846730, 39) Show SMILES CC(C)(C)NNc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C24H33F3N4O2S/c1-22(2,3)19-14-31(13-16-8-7-11-33-16)21(34-19)28-20(32)17-12-15(24(25,26)27)9-10-18(17)29-30-23(4,5)6/h9-10,12,14,16,29-30H,7-8,11,13H2,1-6H3/b28-21-/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70	-50.9	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM133308 (US8846730, 73) Show SMILES CC(COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F)=NO |w:32.35| Show InChI InChI=1S/C23H28F3N3O4S/c1-14(28-31)13-33-18-8-7-15(23(24,25)26)10-17(18)20(30)27-21-29(11-16-6-5-9-32-16)12-19(34-21)22(2,3)4/h7-8,10,12,16,31H,5-6,9,11,13H2,1-4H3/b27-21-,28-14+/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.80	-50.7	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM9842 (US8846730, 65 | US8846730, 76) Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C24H32F3N3O3S/c1-22(2,3)19-14-30(13-16-8-7-11-32-16)21(34-19)28-20(31)17-12-15(24(25,26)27)9-10-18(17)33-29-23(4,5)6/h9-10,12,14,16,29H,7-8,11,13H2,1-6H3/b28-21-/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.80	-50.7	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133290 (US8846730, 44) Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OC[C@@H]2CCCN2)C(F)(F)F)s1 Show InChI InChI=1S/C25H32F3N3O3S/c1-24(2,3)21-14-31(13-18-7-5-11-33-18)23(35-21)30-22(32)19-12-16(25(26,27)28)8-9-20(19)34-15-17-6-4-10-29-17/h8-9,12,14,17-18,29H,4-7,10-11,13,15H2,1-3H3/b30-23-/t17-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	-50.5	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM133297 (US8846730, 54) Show SMILES CN1C[C@H](F)C[C@H]1COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C26H33F4N3O3S/c1-25(2,3)22-14-33(13-19-6-5-9-35-19)24(37-22)31-23(34)20-10-16(26(28,29)30)7-8-21(20)36-15-18-11-17(27)12-32(18)4/h7-8,10,14,17-19H,5-6,9,11-13,15H2,1-4H3/b31-24-/t17-,18+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	-50.5	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133317 (US8846730, 84) Show SMILES CC(=O)C(C)=NOc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F |w:5.5| Show InChI InChI=1S/C24H28F3N3O4S/c1-14(15(2)31)29-34-19-9-8-16(24(25,26)27)11-18(19)21(32)28-22-30(12-17-7-6-10-33-17)13-20(35-22)23(3,4)5/h8-9,11,13,17H,6-7,10,12H2,1-5H3/b28-22-,29-14+/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.40	-50.0	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133285 (US8846730, 38) Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OCc2nccs2)C(F)(F)F)s1 Show InChI InChI=1S/C24H26F3N3O3S2/c1-23(2,3)19-13-30(12-16-5-4-9-32-16)22(35-19)29-21(31)17-11-15(24(25,26)27)6-7-18(17)33-14-20-28-8-10-34-20/h6-8,10-11,13,16H,4-5,9,12,14H2,1-3H3/b29-22-/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.5	-49.9	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133310 (US8846730, 75) Show SMILES CC(=O)NOc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C22H26F3N3O4S/c1-13(29)27-32-17-8-7-14(22(23,24)25)10-16(17)19(30)26-20-28(11-15-6-5-9-31-15)12-18(33-20)21(2,3)4/h7-8,10,12,15H,5-6,9,11H2,1-4H3,(H,27,29)/b26-20-/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.5	-49.9	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133281 (US8846730, 33) Show SMILES CC(C)(C)c1cn(C[C@@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OC[C@H](N)CO)C(F)(F)F)s1 Show InChI InChI=1S/C23H30F3N3O4S/c1-22(2,3)19-11-29(10-16-5-4-8-32-16)21(34-19)28-20(31)17-9-14(23(24,25)26)6-7-18(17)33-13-15(27)12-30/h6-7,9,11,15-16,30H,4-5,8,10,12-13,27H2,1-3H3/b28-21-/t15-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.80	-49.6	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133283 (US8846730, 36) Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OCc2ccccc2)C(F)(F)F)s1 Show InChI InChI=1S/C27H29F3N2O3S/c1-26(2,3)23-16-32(15-20-10-7-13-34-20)25(36-23)31-24(33)21-14-19(27(28,29)30)11-12-22(21)35-17-18-8-5-4-6-9-18/h4-6,8-9,11-12,14,16,20H,7,10,13,15,17H2,1-3H3/b31-25-/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.90	-49.5	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133293 (US8846730, 48) Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OC[C@@H]2CCCN2S(C)(=O)=O)C(F)(F)F)s1 Show InChI InChI=1S/C26H34F3N3O5S2/c1-25(2,3)22-15-31(14-19-8-6-12-36-19)24(38-22)30-23(33)20-13-17(26(27,28)29)9-10-21(20)37-16-18-7-5-11-32(18)39(4,34)35/h9-10,13,15,18-19H,5-8,11-12,14,16H2,1-4H3/b30-24-/t18-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3	-49.5	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133265 (US8846730, 2) Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OC[C@@H]2CCN2)C(F)(F)F)s1 Show InChI InChI=1S/C24H30F3N3O3S/c1-23(2,3)20-13-30(12-17-5-4-10-32-17)22(34-20)29-21(31)18-11-15(24(25,26)27)6-7-19(18)33-14-16-8-9-28-16/h6-7,11,13,16-17,28H,4-5,8-10,12,14H2,1-3H3/b29-22-/t16-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3	-49.5	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM133275 (US8846730, 22) Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OC[C@H]2CCCO2)C(F)(F)F)s1 Show InChI InChI=1S/C25H31F3N2O4S/c1-24(2,3)21-14-30(13-17-6-4-10-32-17)23(35-21)29-22(31)19-12-16(25(26,27)28)8-9-20(19)34-15-18-7-5-11-33-18/h8-9,12,14,17-18H,4-7,10-11,13,15H2,1-3H3/b29-23-/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3	-49.5	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM133295 (US8846730, 53) Show SMILES CN1C[C@@H](F)C[C@H]1COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C26H33F4N3O3S/c1-25(2,3)22-14-33(13-19-6-5-9-35-19)24(37-22)31-23(34)20-10-16(26(28,29)30)7-8-21(20)36-15-18-11-17(27)12-32(18)4/h7-8,10,14,17-19H,5-6,9,11-13,15H2,1-4H3/b31-24-/t17-,18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3	-49.5	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM133317 (US8846730, 84) Show SMILES CC(=O)C(C)=NOc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F |w:5.5| Show InChI InChI=1S/C24H28F3N3O4S/c1-14(15(2)31)29-34-19-9-8-16(24(25,26)27)11-18(19)21(32)28-22-30(12-17-7-6-10-33-17)13-20(35-22)23(3,4)5/h8-9,11,13,17H,6-7,10,12H2,1-5H3/b28-22-,29-14+/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.30	-49.2	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133289 (US8846730, 43) Show SMILES CN1[C@H](COc2ccc(cc2C(=O)\N=c2/sc(cn2C[C@H]2CCCO2)C(C)(C)C)C(F)(F)F)CCC1=O Show InChI InChI=1S/C26H32F3N3O4S/c1-25(2,3)21-14-32(13-18-6-5-11-35-18)24(37-21)30-23(34)19-12-16(26(27,28)29)7-9-20(19)36-15-17-8-10-22(33)31(17)4/h7,9,12,14,17-18H,5-6,8,10-11,13,15H2,1-4H3/b30-24-/t17-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.30	-49.2	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133277 (US8846730, 24) Show SMILES CN1CCC[C@H]1COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C26H34F3N3O3S/c1-25(2,3)22-15-32(14-19-8-6-12-34-19)24(36-22)30-23(33)20-13-17(26(27,28)29)9-10-21(20)35-16-18-7-5-11-31(18)4/h9-10,13,15,18-19H,5-8,11-12,14,16H2,1-4H3/b30-24-/t18-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.40	-49.1	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133295 (US8846730, 53) Show SMILES CN1C[C@@H](F)C[C@H]1COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C26H33F4N3O3S/c1-25(2,3)22-14-33(13-19-6-5-9-35-19)24(37-22)31-23(34)20-10-16(26(28,29)30)7-8-21(20)36-15-18-11-17(27)12-32(18)4/h7-8,10,14,17-19H,5-6,9,11-13,15H2,1-4H3/b31-24-/t17-,18-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.60	-49.0	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM9812 (US8846730, 69) Show SMILES Clc1ccc(OCCCC(=O)NN\C=C2/C=CC=CC2=O)c(Cl)c1 |c:15,17| Show InChI InChI=1S/C17H16Cl2N2O3/c18-13-7-8-16(14(19)10-13)24-9-3-6-17(23)21-20-11-12-4-1-2-5-15(12)22/h1-2,4-5,7-8,10-11,20H,3,6,9H2,(H,21,23)/b12-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.60	-49.0	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM133286 (US8846730, 39) Show SMILES CC(C)(C)NNc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C24H33F3N4O2S/c1-22(2,3)19-14-31(13-16-8-7-11-33-16)21(34-19)28-20(32)17-12-15(24(25,26)27)9-10-18(17)29-30-23(4,5)6/h9-10,12,14,16,29-30H,7-8,11,13H2,1-6H3/b28-21-/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.70	-48.9	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133306 (US8846730, 71) Show SMILES CC(C)(C)C(\COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F)=N/O Show InChI InChI=1S/C26H34F3N3O4S/c1-24(2,3)20(31-34)15-36-19-10-9-16(26(27,28)29)12-18(19)22(33)30-23-32(13-17-8-7-11-35-17)14-21(37-23)25(4,5)6/h9-10,12,14,17,34H,7-8,11,13,15H2,1-6H3/b30-23-,31-20-/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.10	-48.7	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM133314 (US8846730, 80) Show SMILES CC(=NOc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F)C(F)(F)F |w:2.2| Show InChI InChI=1S/C23H25F6N3O3S/c1-13(22(24,25)26)31-35-17-8-7-14(23(27,28)29)10-16(17)19(33)30-20-32(11-15-6-5-9-34-15)12-18(36-20)21(2,3)4/h7-8,10,12,15H,5-6,9,11H2,1-4H3/b30-20-,31-13+/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.40	-48.5	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133266 (US8846730, 3) Show SMILES CN1CC[C@H]1COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C25H32F3N3O3S/c1-24(2,3)21-14-31(13-18-6-5-11-33-18)23(35-21)29-22(32)19-12-16(25(26,27)28)7-8-20(19)34-15-17-9-10-30(17)4/h7-8,12,14,17-18H,5-6,9-11,13,15H2,1-4H3/b29-23-/t17-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.5	-48.4	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair

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