Compile Data Set for Download or QSAR

Found 128 hits Enz. Inhib. hit(s) with all data for entry = 6521   

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 (Rattus norvegicus (Rat))	BDBM135877 (US8859596, 164) Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(nn1CCCC(F)(F)F)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C22H28F6N4O2S/c1-19(2,3)17-30-32(11-7-10-21(23,24)25)18(35-17)29-16(33)14-12-13(22(26,27)28)8-9-15(14)34-31-20(4,5)6/h8-9,12,31H,7,10-11H2,1-6H3/b29-18-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135855 (US8859596, 141) Show SMILES CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1ONC(=O)OC(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C23H31F3N4O4S/c1-8-9-12-30-19(35-18(28-30)21(2,3)4)27-17(31)15-13-14(23(24,25)26)10-11-16(15)34-29-20(32)33-22(5,6)7/h10-11,13H,8-9,12H2,1-7H3,(H,29,32)/b27-19+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.320	-55.1	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 US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135905 (US8859596, 193) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1NNC(=O)C(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C23H32F3N5O2S/c1-8-9-12-31-20(34-19(30-31)22(5,6)7)27-17(32)15-13-14(23(24,25)26)10-11-16(15)28-29-18(33)21(2,3)4/h10-11,13,28H,8-9,12H2,1-7H3,(H,29,33)/b27-20-	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 US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135909 (US8859596, 198) Show SMILES CCCCn1n(C)c(c\c1=N/C(=O)c1cc(ccc1NNC(=O)C(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C25H36F3N5O2/c1-9-10-13-33-20(15-19(32(33)8)23(2,3)4)29-21(34)17-14-16(25(26,27)28)11-12-18(17)30-31-22(35)24(5,6)7/h11-12,14-15,30H,9-10,13H2,1-8H3,(H,31,35)/b29-20+	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 US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135905 (US8859596, 193) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1NNC(=O)C(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C23H32F3N5O2S/c1-8-9-12-31-20(34-19(30-31)22(5,6)7)27-17(32)15-13-14(23(24,25)26)10-11-16(15)28-29-18(33)21(2,3)4/h10-11,13,28H,8-9,12H2,1-7H3,(H,29,33)/b27-20-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135882 (US8859596, 169) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(=O)C(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C23H31F3N4O3S/c1-8-9-12-30-20(34-19(28-30)22(5,6)7)27-17(31)15-13-14(23(24,25)26)10-11-16(15)33-29-18(32)21(2,3)4/h10-11,13H,8-9,12H2,1-7H3,(H,29,32)/b27-20-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135857 (US8859596, 144) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C21H29F3N4O2S/c1-7-8-11-28-19(31-18(26-28)20(4,5)6)25-17(29)15-12-14(21(22,23)24)9-10-16(15)30-27-13(2)3/h9-10,12-13,27H,7-8,11H2,1-6H3/b25-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135882 (US8859596, 169) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(=O)C(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C23H31F3N4O3S/c1-8-9-12-30-20(34-19(28-30)22(5,6)7)27-17(31)15-13-14(23(24,25)26)10-11-16(15)33-29-18(32)21(2,3)4/h10-11,13H,8-9,12H2,1-7H3,(H,29,32)/b27-20-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135875 (US8859596, 162) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(Cl)ccc1ONC(C)(C)C)C(C)(C)C Show InChI InChI=1S/C21H31ClN4O2S/c1-8-9-12-26-19(29-18(24-26)20(2,3)4)23-17(27)15-13-14(22)10-11-16(15)28-25-21(5,6)7/h10-11,13,25H,8-9,12H2,1-7H3/b23-19-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135860 (US8859596, 147) Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(nn1CC1CCCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C24H33F3N4O3S/c1-22(2,3)20-29-31(14-16-9-7-8-12-33-16)21(35-20)28-19(32)17-13-15(24(25,26)27)10-11-18(17)34-30-23(4,5)6/h10-11,13,16,30H,7-9,12,14H2,1-6H3/b28-21-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135904 (US8859596, 192) Show SMILES CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1NNC(=O)OC)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C20H26F3N5O3S/c1-6-7-10-28-17(32-16(27-28)19(2,3)4)24-15(29)13-11-12(20(21,22)23)8-9-14(13)25-26-18(30)31-5/h8-9,11,25H,6-7,10H2,1-5H3,(H,26,30)/b24-17+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135908 (US8859596, 197) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1NNC(=O)c1cccnc1)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C24H27F3N6O2S/c1-5-6-12-33-22(36-21(32-33)23(2,3)4)29-20(35)17-13-16(24(25,26)27)9-10-18(17)30-31-19(34)15-8-7-11-28-14-15/h7-11,13-14,30H,5-6,12H2,1-4H3,(H,31,34)/b29-22-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135911 (US8859596, 200) Show SMILES CCCCn1n(C)c(c\c1=N/C(=O)c1cc(ccc1NNC(=O)c1ccncc1)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C26H31F3N6O2/c1-6-7-14-35-22(16-21(34(35)5)25(2,3)4)31-24(37)19-15-18(26(27,28)29)8-9-20(19)32-33-23(36)17-10-12-30-13-11-17/h8-13,15-16,32H,6-7,14H2,1-5H3,(H,33,36)/b31-22+	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 US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135904 (US8859596, 192) Show SMILES CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1NNC(=O)OC)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C20H26F3N5O3S/c1-6-7-10-28-17(32-16(27-28)19(2,3)4)24-15(29)13-11-12(20(21,22)23)8-9-14(13)25-26-18(30)31-5/h8-9,11,25H,6-7,10H2,1-5H3,(H,26,30)/b24-17+	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 US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135857 (US8859596, 144) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C21H29F3N4O2S/c1-7-8-11-28-19(31-18(26-28)20(4,5)6)25-17(29)15-12-14(21(22,23)24)9-10-16(15)30-27-13(2)3/h9-10,12-13,27H,7-8,11H2,1-6H3/b25-19-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135878 (US8859596, 165) Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(nn1CC1CCC1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C23H31F3N4O2S/c1-21(2,3)19-28-30(13-14-8-7-9-14)20(33-19)27-18(31)16-12-15(23(24,25)26)10-11-17(16)32-29-22(4,5)6/h10-12,14,29H,7-9,13H2,1-6H3/b27-20-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135903 (US8859596, 191) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1NNC(=O)c1ccncc1)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C24H27F3N6O2S/c1-5-6-13-33-22(36-21(32-33)23(2,3)4)29-20(35)17-14-16(24(25,26)27)7-8-18(17)30-31-19(34)15-9-11-28-12-10-15/h7-12,14,30H,5-6,13H2,1-4H3,(H,31,34)/b29-22-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135900 (US8859596, 188) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ON=C(N)C1CC1)C(F)(F)F)C(C)(C)C |w:19.20| Show InChI InChI=1S/C22H28F3N5O2S/c1-5-6-11-30-20(33-19(28-30)21(2,3)4)27-18(31)15-12-14(22(23,24)25)9-10-16(15)32-29-17(26)13-7-8-13/h9-10,12-13H,5-8,11H2,1-4H3,(H2,26,29)/b27-20-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135903 (US8859596, 191) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1NNC(=O)c1ccncc1)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C24H27F3N6O2S/c1-5-6-13-33-22(36-21(32-33)23(2,3)4)29-20(35)17-14-16(24(25,26)27)7-8-18(17)30-31-19(34)15-9-11-28-12-10-15/h7-12,14,30H,5-6,13H2,1-4H3,(H,31,34)/b29-22-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135867 (US8859596, 154) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(C)=O)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C20H25F3N4O3S/c1-6-7-10-27-18(31-17(25-27)19(3,4)5)24-16(29)14-11-13(20(21,22)23)8-9-15(14)30-26-12(2)28/h8-9,11H,6-7,10H2,1-5H3,(H,26,28)/b24-18-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135867 (US8859596, 154) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(C)=O)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C20H25F3N4O3S/c1-6-7-10-27-18(31-17(25-27)19(3,4)5)24-16(29)14-11-13(20(21,22)23)8-9-15(14)30-26-12(2)28/h8-9,11H,6-7,10H2,1-5H3,(H,26,28)/b24-18-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	-52.2	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 US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135893 (US8859596, 181) Show SMILES CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1NNC(=O)OC(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C23H32F3N5O3S/c1-8-9-12-31-19(35-18(30-31)21(2,3)4)27-17(32)15-13-14(23(24,25)26)10-11-16(15)28-29-20(33)34-22(5,6)7/h10-11,13,28H,8-9,12H2,1-7H3,(H,29,33)/b27-19+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	-52.2	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 US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135886 (US8859596, 174) Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(nn1CCCCF)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C22H30F4N4O2S/c1-20(2,3)18-28-30(12-8-7-11-23)19(33-18)27-17(31)15-13-14(22(24,25)26)9-10-16(15)32-29-21(4,5)6/h9-10,13,29H,7-8,11-12H2,1-6H3/b27-19-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135908 (US8859596, 197) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1NNC(=O)c1cccnc1)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C24H27F3N6O2S/c1-5-6-12-33-22(36-21(32-33)23(2,3)4)29-20(35)17-13-16(24(25,26)27)9-10-18(17)30-31-19(34)15-8-7-11-28-14-15/h7-11,13-14,30H,5-6,12H2,1-4H3,(H,31,34)/b29-22-	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 US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135864 (US8859596, 151) Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(nn1CCCC#N)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C22H28F3N5O2S/c1-20(2,3)18-28-30(12-8-7-11-26)19(33-18)27-17(31)15-13-14(22(23,24)25)9-10-16(15)32-29-21(4,5)6/h9-10,13,29H,7-8,12H2,1-6H3/b27-19-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135911 (US8859596, 200) Show SMILES CCCCn1n(C)c(c\c1=N/C(=O)c1cc(ccc1NNC(=O)c1ccncc1)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C26H31F3N6O2/c1-6-7-14-35-22(16-21(34(35)5)25(2,3)4)31-24(37)19-15-18(26(27,28)29)8-9-20(19)32-33-23(36)17-10-12-30-13-11-17/h8-13,15-16,32H,6-7,14H2,1-5H3,(H,33,36)/b31-22+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.30	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135901 (US8859596, 189) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ON=C1CCCCCN1)C(F)(F)F)C(C)(C)C |w:19.20| Show InChI InChI=1S/C24H32F3N5O2S/c1-5-6-14-32-22(35-21(30-32)23(2,3)4)29-20(33)17-15-16(24(25,26)27)11-12-18(17)34-31-19-10-8-7-9-13-28-19/h11-12,15H,5-10,13-14H2,1-4H3,(H,28,31)/b29-22-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.60	-51.0	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 US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135860 (US8859596, 147) Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(nn1CC1CCCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C24H33F3N4O3S/c1-22(2,3)20-29-31(14-16-9-7-8-12-33-16)21(35-20)28-19(32)17-13-15(24(25,26)27)10-11-18(17)34-30-23(4,5)6/h10-11,13,16,30H,7-9,12,14H2,1-6H3/b28-21-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135909 (US8859596, 198) Show SMILES CCCCn1n(C)c(c\c1=N/C(=O)c1cc(ccc1NNC(=O)C(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C25H36F3N5O2/c1-9-10-13-33-20(15-19(32(33)8)23(2,3)4)29-21(34)17-14-16(25(26,27)28)11-12-18(17)30-31-22(35)24(5,6)7/h11-12,14-15,30H,9-10,13H2,1-8H3,(H,31,35)/b29-20+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135902 (US8859596, 190) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ON=C1CCCC1)C(F)(F)F)C(C)(C)C |(-13.64,9.8,;-12.5,8.77,;-11.03,9.24,;-10.71,10.75,;-9.25,11.23,;-8.77,12.69,;-7.23,12.69,;-6.76,11.23,;-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,;-6.33,13.94,;-5.42,15.18,;-5.08,13.03,;-7.57,14.84,)| Show InChI InChI=1S/C23H29F3N4O2S/c1-5-6-13-30-21(33-20(28-30)22(2,3)4)27-19(31)17-14-15(23(24,25)26)11-12-18(17)32-29-16-9-7-8-10-16/h11-12,14H,5-10,13H2,1-4H3/b27-21-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135888 (US8859596, 176) Show SMILES CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1ON=C(CC)C(=O)ON)C(F)(F)F)C(C)(C)C |w:19.20| Show InChI InChI=1S/C22H28F3N5O4S/c1-6-8-11-30-20(35-19(28-30)21(3,4)5)27-17(31)14-12-13(22(23,24)25)9-10-16(14)34-29-15(7-2)18(32)33-26/h9-10,12H,6-8,11,26H2,1-5H3/b27-20+,29-15+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135893 (US8859596, 181) Show SMILES CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1NNC(=O)OC(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C23H32F3N5O3S/c1-8-9-12-31-19(35-18(30-31)21(2,3)4)27-17(32)15-13-14(23(24,25)26)10-11-16(15)28-29-20(33)34-22(5,6)7/h10-11,13,28H,8-9,12H2,1-7H3,(H,29,33)/b27-19+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135877 (US8859596, 164) Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(nn1CCCC(F)(F)F)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C22H28F6N4O2S/c1-19(2,3)17-30-32(11-7-10-21(23,24)25)18(35-17)29-16(33)14-12-13(22(26,27)28)8-9-15(14)34-31-20(4,5)6/h8-9,12,31H,7,10-11H2,1-6H3/b29-18-	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 US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135853 (US8859596, 34) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C22H31F3N4O2S/c1-8-9-12-29-19(32-18(27-29)20(2,3)4)26-17(30)15-13-14(22(23,24)25)10-11-16(15)31-28-21(5,6)7/h10-11,13,28H,8-9,12H2,1-7H3/b26-19-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.90	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135910 (US8859596, 199) Show SMILES CCCCn1n(C)c(c\c1=N/C(=O)c1cc(ccc1NNC(=O)c1cccnc1)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C26H31F3N6O2/c1-6-7-13-35-22(15-21(34(35)5)25(2,3)4)31-24(37)19-14-18(26(27,28)29)10-11-20(19)32-33-23(36)17-9-8-12-30-16-17/h8-12,14-16,32H,6-7,13H2,1-5H3,(H,33,36)/b31-22+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.20	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135855 (US8859596, 141) Show SMILES CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1ONC(=O)OC(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C23H31F3N4O4S/c1-8-9-12-30-19(35-18(28-30)21(2,3)4)27-17(31)15-13-14(23(24,25)26)10-11-16(15)34-29-20(32)33-22(5,6)7/h10-11,13H,8-9,12H2,1-7H3,(H,29,32)/b27-19+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.30	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135910 (US8859596, 199) Show SMILES CCCCn1n(C)c(c\c1=N/C(=O)c1cc(ccc1NNC(=O)c1cccnc1)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C26H31F3N6O2/c1-6-7-13-35-22(15-21(34(35)5)25(2,3)4)31-24(37)19-14-18(26(27,28)29)10-11-20(19)32-33-23(36)17-9-8-12-30-16-17/h8-12,14-16,32H,6-7,13H2,1-5H3,(H,33,36)/b31-22+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135900 (US8859596, 188) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ON=C(N)C1CC1)C(F)(F)F)C(C)(C)C |w:19.20| Show InChI InChI=1S/C22H28F3N5O2S/c1-5-6-11-30-20(33-19(28-30)21(2,3)4)27-18(31)15-12-14(22(23,24)25)9-10-16(15)32-29-17(26)13-7-8-13/h9-10,12-13H,5-8,11H2,1-4H3,(H2,26,29)/b27-20-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135858 (US8859596, 145) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(C)(C)C)C(F)(F)F)C1(C)CC1 Show InChI InChI=1S/C22H29F3N4O2S/c1-6-7-12-29-19(32-18(27-29)21(5)10-11-21)26-17(30)15-13-14(22(23,24)25)8-9-16(15)31-28-20(2,3)4/h8-9,13,28H,6-7,10-12H2,1-5H3/b26-19-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135898 (US8859596, 186) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ON=C(N)CC)C(F)(F)F)C(C)(C)C |w:19.20| Show InChI InChI=1S/C21H28F3N5O2S/c1-6-8-11-29-19(32-18(27-29)20(3,4)5)26-17(30)14-12-13(21(22,23)24)9-10-15(14)31-28-16(25)7-2/h9-10,12H,6-8,11H2,1-5H3,(H2,25,28)/b26-19-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.70	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135878 (US8859596, 165) Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(nn1CC1CCC1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C23H31F3N4O2S/c1-21(2,3)19-28-30(13-14-8-7-9-14)20(33-19)27-18(31)16-12-15(23(24,25)26)10-11-17(16)32-29-22(4,5)6/h10-12,14,29H,7-9,13H2,1-6H3/b27-20-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135887 (US8859596, 175) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ON=C(N)C(C)C)C(F)(F)F)C(C)(C)C |w:19.20| Show InChI InChI=1S/C22H30F3N5O2S/c1-7-8-11-30-20(33-19(28-30)21(4,5)6)27-18(31)15-12-14(22(23,24)25)9-10-16(15)32-29-17(26)13(2)3/h9-10,12-13H,7-8,11H2,1-6H3,(H2,26,29)/b27-20-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.90	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135876 (US8859596, 163) Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(nn1CC1CC1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C22H29F3N4O2S/c1-20(2,3)18-27-29(12-13-7-8-13)19(32-18)26-17(30)15-11-14(22(23,24)25)9-10-16(15)31-28-21(4,5)6/h9-11,13,28H,7-8,12H2,1-6H3/b26-19-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135902 (US8859596, 190) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ON=C1CCCC1)C(F)(F)F)C(C)(C)C |(-13.64,9.8,;-12.5,8.77,;-11.03,9.24,;-10.71,10.75,;-9.25,11.23,;-8.77,12.69,;-7.23,12.69,;-6.76,11.23,;-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,;-6.33,13.94,;-5.42,15.18,;-5.08,13.03,;-7.57,14.84,)| Show InChI InChI=1S/C23H29F3N4O2S/c1-5-6-13-30-21(33-20(28-30)22(2,3)4)27-19(31)17-14-15(23(24,25)26)11-12-18(17)32-29-16-9-7-8-10-16/h11-12,14H,5-10,13H2,1-4H3/b27-21-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.20	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135866 (US8859596, 153) Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(nn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C23H31F3N4O3S/c1-21(2,3)19-28-30(13-15-8-7-11-32-15)20(34-19)27-18(31)16-12-14(23(24,25)26)9-10-17(16)33-29-22(4,5)6/h9-10,12,15,29H,7-8,11,13H2,1-6H3/b27-20-/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.20	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135897 (US8859596, 185) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ON=C(C)N)C(F)(F)F)C(C)(C)C |w:19.20| Show InChI InChI=1S/C20H26F3N5O2S/c1-6-7-10-28-18(31-17(26-28)19(3,4)5)25-16(29)14-11-13(20(21,22)23)8-9-15(14)30-27-12(2)24/h8-9,11H,6-7,10H2,1-5H3,(H2,24,27)/b25-18-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.60	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135871 (US8859596, 158) Show SMILES COCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C21H29F3N4O3S/c1-19(2,3)17-26-28(10-11-30-7)18(32-17)25-16(29)14-12-13(21(22,23)24)8-9-15(14)31-27-20(4,5)6/h8-9,12,27H,10-11H2,1-7H3/b25-18-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.60	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135907 (US8859596, 196) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ON=C(N)c1ccccn1)C(F)(F)F)C(C)(C)C |w:19.20| Show InChI InChI=1S/C24H27F3N6O2S/c1-5-6-13-33-22(36-21(31-33)23(2,3)4)30-20(34)16-14-15(24(25,26)27)10-11-18(16)35-32-19(28)17-9-7-8-12-29-17/h7-12,14H,5-6,13H2,1-4H3,(H2,28,32)/b30-22-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.10	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135864 (US8859596, 151) Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(nn1CCCC#N)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C22H28F3N5O2S/c1-20(2,3)18-28-30(12-8-7-11-26)19(33-18)27-17(31)15-13-14(22(23,24)25)9-10-16(15)32-29-21(4,5)6/h9-10,13,29H,7-8,12H2,1-6H3/b27-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.30	-48.6	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 US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135901 (US8859596, 189) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ON=C1CCCCCN1)C(F)(F)F)C(C)(C)C |w:19.20| Show InChI InChI=1S/C24H32F3N5O2S/c1-5-6-14-32-22(35-21(30-32)23(2,3)4)29-20(33)17-15-16(24(25,26)27)11-12-18(17)34-31-19-10-8-7-9-13-28-19/h11-12,15H,5-10,13-14H2,1-4H3,(H,28,31)/b29-22-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.90	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 128 total )  |  Next  |  Last  >>

Jump to: