Compile Data Set for Download or QSAR

Found 502 hits Enz. Inhib. hit(s) with all data for entry = 62   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM111084 (US9682940, 17 | US9682940, 26) Show SMILES FC(F)(F)S(=O)(=O)N1CCN(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H21Cl2F3N4O2S/c26-19-6-1-16(2-7-19)23(17-3-8-20(27)9-4-17)18-5-10-22-21(15-18)24(32-31-22)33-11-13-34(14-12-33)37(35,36)25(28,29)30/h1-10,15,23H,11-14H2,(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM111084 (US9682940, 17 | US9682940, 26) Show SMILES FC(F)(F)S(=O)(=O)N1CCN(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H21Cl2F3N4O2S/c26-19-6-1-16(2-7-19)23(17-3-8-20(27)9-4-17)18-5-10-22-21(15-18)24(32-31-22)33-11-13-34(14-12-33)37(35,36)25(28,29)30/h1-10,15,23H,11-14H2,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM111098 (US9682940, 19) Show SMILES NC(=O)Cn1nc(N2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C27H24Cl2F3N5O3S/c28-20-6-1-17(2-7-20)25(18-3-8-21(29)9-4-18)19-5-10-23-22(15-19)26(34-37(23)16-24(33)38)35-11-13-36(14-12-35)41(39,40)27(30,31)32/h1-10,15,25H,11-14,16H2,(H2,33,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	84	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM111098 (US9682940, 19) Show SMILES NC(=O)Cn1nc(N2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C27H24Cl2F3N5O3S/c28-20-6-1-17(2-7-20)25(18-3-8-21(29)9-4-18)19-5-10-23-22(15-19)26(34-37(23)16-24(33)38)35-11-13-36(14-12-35)41(39,40)27(30,31)32/h1-10,15,25H,11-14,16H2,(H2,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM111105 (US9682940, 20) Show SMILES COC(=O)Cn1nc(N2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C28H25Cl2F3N4O4S/c1-41-25(38)17-37-24-11-6-20(26(18-2-7-21(29)8-3-18)19-4-9-22(30)10-5-19)16-23(24)27(34-37)35-12-14-36(15-13-35)42(39,40)28(31,32)33/h2-11,16,26H,12-15,17H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	165	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM111105 (US9682940, 20) Show SMILES COC(=O)Cn1nc(N2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C28H25Cl2F3N4O4S/c1-41-25(38)17-37-24-11-6-20(26(18-2-7-21(29)8-3-18)19-4-9-22(30)10-5-19)16-23(24)27(34-37)35-12-14-36(15-13-35)42(39,40)28(31,32)33/h2-11,16,26H,12-15,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM111124 (US9682940, 21) Show SMILES CCOC(=O)CS(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H29Cl2N3O4S/c1-2-38-27(35)18-39(36,37)34-15-13-21(14-16-34)29-25-17-22(7-12-26(25)32-33-29)28(19-3-8-23(30)9-4-19)20-5-10-24(31)11-6-20/h3-12,17,21,28H,2,13-16,18H2,1H3,(H,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM111124 (US9682940, 21) Show SMILES CCOC(=O)CS(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H29Cl2N3O4S/c1-2-38-27(35)18-39(36,37)34-15-13-21(14-16-34)29-25-17-22(7-12-26(25)32-33-29)28(19-3-8-23(30)9-4-19)20-5-10-24(31)11-6-20/h3-12,17,21,28H,2,13-16,18H2,1H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM111128 (US9682940, 22) Show SMILES OC(=O)CS(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C27H25Cl2N3O4S/c28-21-6-1-17(2-7-21)26(18-3-8-22(29)9-4-18)20-5-10-24-23(15-20)27(31-30-24)19-11-13-32(14-12-19)37(35,36)16-25(33)34/h1-10,15,19,26H,11-14,16H2,(H,30,31)(H,33,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	249	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM111128 (US9682940, 22) Show SMILES OC(=O)CS(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C27H25Cl2N3O4S/c28-21-6-1-17(2-7-21)26(18-3-8-22(29)9-4-18)20-5-10-24-23(15-20)27(31-30-24)19-11-13-32(14-12-19)37(35,36)16-25(33)34/h1-10,15,19,26H,11-14,16H2,(H,30,31)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM111130 (US9682940, 23) Show SMILES NS(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24Cl2N4O2S/c26-20-6-1-16(2-7-20)24(17-3-8-21(27)9-4-17)19-5-10-23-22(15-19)25(30-29-23)18-11-13-31(14-12-18)34(28,32)33/h1-10,15,18,24H,11-14H2,(H,29,30)(H2,28,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.15E+3	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM111130 (US9682940, 23) Show SMILES NS(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24Cl2N4O2S/c26-20-6-1-16(2-7-20)24(17-3-8-21(27)9-4-17)19-5-10-23-22(15-19)25(30-29-23)18-11-13-31(14-12-18)34(28,32)33/h1-10,15,18,24H,11-14H2,(H,29,30)(H2,28,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM111132 (US9682940, 24) Show SMILES COC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C33H29Cl2N3O4S/c1-42-33(39)24-6-13-28(14-7-24)43(40,41)38-18-16-23(17-19-38)32-29-20-25(8-15-30(29)36-37-32)31(21-2-9-26(34)10-3-21)22-4-11-27(35)12-5-22/h2-15,20,23,31H,16-19H2,1H3,(H,36,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	151	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM111132 (US9682940, 24) Show SMILES COC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C33H29Cl2N3O4S/c1-42-33(39)24-6-13-28(14-7-24)43(40,41)38-18-16-23(17-19-38)32-29-20-25(8-15-30(29)36-37-32)31(21-2-9-26(34)10-3-21)22-4-11-27(35)12-5-22/h2-15,20,23,31H,16-19H2,1H3,(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM111134 (US9682940, 25) Show SMILES NC(=O)CS(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C27H26Cl2N4O3S/c28-21-6-1-17(2-7-21)26(18-3-8-22(29)9-4-18)20-5-10-24-23(15-20)27(32-31-24)19-11-13-33(14-12-19)37(35,36)16-25(30)34/h1-10,15,19,26H,11-14,16H2,(H2,30,34)(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM111134 (US9682940, 25) Show SMILES NC(=O)CS(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C27H26Cl2N4O3S/c28-21-6-1-17(2-7-21)26(18-3-8-22(29)9-4-18)20-5-10-24-23(15-20)27(32-31-24)19-11-13-33(14-12-19)37(35,36)16-25(30)34/h1-10,15,19,26H,11-14,16H2,(H2,30,34)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM111084 (US9682940, 17 | US9682940, 26) Show SMILES FC(F)(F)S(=O)(=O)N1CCN(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H21Cl2F3N4O2S/c26-19-6-1-16(2-7-19)23(17-3-8-20(27)9-4-17)18-5-10-22-21(15-18)24(32-31-22)33-11-13-34(14-12-33)37(35,36)25(28,29)30/h1-10,15,23H,11-14H2,(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM111084 (US9682940, 17 | US9682940, 26) Show SMILES FC(F)(F)S(=O)(=O)N1CCN(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H21Cl2F3N4O2S/c26-19-6-1-16(2-7-19)23(17-3-8-20(27)9-4-17)18-5-10-22-21(15-18)24(32-31-22)33-11-13-34(14-12-33)37(35,36)25(28,29)30/h1-10,15,23H,11-14H2,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM111136 (US9682940, 27) Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C32H27Cl2N3O4S/c33-25-8-1-20(2-9-25)30(21-3-10-26(34)11-4-21)24-7-14-29-28(19-24)31(36-35-29)22-15-17-37(18-16-22)42(40,41)27-12-5-23(6-13-27)32(38)39/h1-14,19,22,30H,15-18H2,(H,35,36)(H,38,39)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	410	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM111136 (US9682940, 27) Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C32H27Cl2N3O4S/c33-25-8-1-20(2-9-25)30(21-3-10-26(34)11-4-21)24-7-14-29-28(19-24)31(36-35-29)22-15-17-37(18-16-22)42(40,41)27-12-5-23(6-13-27)32(38)39/h1-14,19,22,30H,15-18H2,(H,35,36)(H,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM111138 (US9682940, 28) Show SMILES NC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C32H28Cl2N4O3S/c33-25-8-1-20(2-9-25)30(21-3-10-26(34)11-4-21)24-7-14-29-28(19-24)31(37-36-29)22-15-17-38(18-16-22)42(40,41)27-12-5-23(6-13-27)32(35)39/h1-14,19,22,30H,15-18H2,(H2,35,39)(H,36,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	134	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM111138 (US9682940, 28) Show SMILES NC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C32H28Cl2N4O3S/c33-25-8-1-20(2-9-25)30(21-3-10-26(34)11-4-21)24-7-14-29-28(19-24)31(37-36-29)22-15-17-38(18-16-22)42(40,41)27-12-5-23(6-13-27)32(35)39/h1-14,19,22,30H,15-18H2,(H2,35,39)(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM111139 (US9682940, 29) Show SMILES FC(F)(F)S(=O)(=O)N1CCN(CC1)c1nn(c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)S(=O)(=O)C(F)(F)F Show InChI InChI=1S/C26H20Cl2F6N4O4S2/c27-19-6-1-16(2-7-19)23(17-3-8-20(28)9-4-17)18-5-10-22-21(15-18)24(35-38(22)44(41,42)26(32,33)34)36-11-13-37(14-12-36)43(39,40)25(29,30)31/h1-10,15,23H,11-14H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM111139 (US9682940, 29) Show SMILES FC(F)(F)S(=O)(=O)N1CCN(CC1)c1nn(c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)S(=O)(=O)C(F)(F)F Show InChI InChI=1S/C26H20Cl2F6N4O4S2/c27-19-6-1-16(2-7-19)23(17-3-8-20(28)9-4-17)18-5-10-22-21(15-18)24(35-38(22)44(41,42)26(32,33)34)36-11-13-37(14-12-36)43(39,40)25(29,30)31/h1-10,15,23H,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM111140 (US9682940, 30) Show SMILES COC(=O)c1ccccc1Cn1nc(N2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C34H29Cl2F3N4O4S/c1-47-33(44)28-5-3-2-4-25(28)21-43-30-15-10-24(31(22-6-11-26(35)12-7-22)23-8-13-27(36)14-9-23)20-29(30)32(40-43)41-16-18-42(19-17-41)48(45,46)34(37,38)39/h2-15,20,31H,16-19,21H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM111140 (US9682940, 30) Show SMILES COC(=O)c1ccccc1Cn1nc(N2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C34H29Cl2F3N4O4S/c1-47-33(44)28-5-3-2-4-25(28)21-43-30-15-10-24(31(22-6-11-26(35)12-7-22)23-8-13-27(36)14-9-23)20-29(30)32(40-43)41-16-18-42(19-17-41)48(45,46)34(37,38)39/h2-15,20,31H,16-19,21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM111141 (US9682940, 31) Show SMILES COC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C33H29Cl2N3O4S/c1-42-33(39)27-4-2-3-5-30(27)43(40,41)38-18-16-23(17-19-38)32-28-20-24(10-15-29(28)36-37-32)31(21-6-11-25(34)12-7-21)22-8-13-26(35)14-9-22/h2-15,20,23,31H,16-19H2,1H3,(H,36,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	128	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM111141 (US9682940, 31) Show SMILES COC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C33H29Cl2N3O4S/c1-42-33(39)27-4-2-3-5-30(27)43(40,41)38-18-16-23(17-19-38)32-28-20-24(10-15-29(28)36-37-32)31(21-6-11-25(34)12-7-21)22-8-13-26(35)14-9-22/h2-15,20,23,31H,16-19H2,1H3,(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM111142 (US9682940, 32) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C32H26Cl2F3N3O2S/c33-25-8-1-20(2-9-25)30(21-3-10-26(34)11-4-21)23-5-14-29-28(19-23)31(39-38-29)22-15-17-40(18-16-22)43(41,42)27-12-6-24(7-13-27)32(35,36)37/h1-14,19,22,30H,15-18H2,(H,38,39)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	71	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM111142 (US9682940, 32) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C32H26Cl2F3N3O2S/c33-25-8-1-20(2-9-25)30(21-3-10-26(34)11-4-21)23-5-14-29-28(19-23)31(39-38-29)22-15-17-40(18-16-22)43(41,42)27-12-6-24(7-13-27)32(35,36)37/h1-14,19,22,30H,15-18H2,(H,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM111143 (US9682940, 33) Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C32H26Cl2F3N3O2S/c33-24-10-5-20(6-11-24)30(21-7-12-25(34)13-8-21)23-9-14-28-26(19-23)31(39-38-28)22-15-17-40(18-16-22)43(41,42)29-4-2-1-3-27(29)32(35,36)37/h1-14,19,22,30H,15-18H2,(H,38,39)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	49	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM111143 (US9682940, 33) Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C32H26Cl2F3N3O2S/c33-24-10-5-20(6-11-24)30(21-7-12-25(34)13-8-21)23-9-14-28-26(19-23)31(39-38-28)22-15-17-40(18-16-22)43(41,42)29-4-2-1-3-27(29)32(35,36)37/h1-14,19,22,30H,15-18H2,(H,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM111144 (US9682940, 34) Show SMILES OC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C32H27Cl2N3O4S/c33-24-10-5-20(6-11-24)30(21-7-12-25(34)13-8-21)23-9-14-28-27(19-23)31(36-35-28)22-15-17-37(18-16-22)42(40,41)29-4-2-1-3-26(29)32(38)39/h1-14,19,22,30H,15-18H2,(H,35,36)(H,38,39)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.03E+3	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM111144 (US9682940, 34) Show SMILES OC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C32H27Cl2N3O4S/c33-24-10-5-20(6-11-24)30(21-7-12-25(34)13-8-21)23-9-14-28-27(19-23)31(36-35-28)22-15-17-37(18-16-22)42(40,41)29-4-2-1-3-26(29)32(38)39/h1-14,19,22,30H,15-18H2,(H,35,36)(H,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM111145 (US9682940, 173 | US9682940, 35) Show SMILES FC(F)(F)S(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H22Cl2F3N3O2S/c27-20-6-1-16(2-7-20)24(17-3-8-21(28)9-4-17)19-5-10-23-22(15-19)25(33-32-23)18-11-13-34(14-12-18)37(35,36)26(29,30)31/h1-10,15,18,24H,11-14H2,(H,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM111145 (US9682940, 173 | US9682940, 35) Show SMILES FC(F)(F)S(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H22Cl2F3N3O2S/c27-20-6-1-16(2-7-20)24(17-3-8-21(28)9-4-17)19-5-10-23-22(15-19)25(33-32-23)18-11-13-34(14-12-18)37(35,36)26(29,30)31/h1-10,15,18,24H,11-14H2,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM111146 (US9682940, 37) Show SMILES FC(F)(F)S(=O)(=O)N1CCC(CC1)c1nn(-c2nccs2)c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H23Cl2F3N4O2S2/c30-22-6-1-18(2-7-22)26(19-3-8-23(31)9-4-19)21-5-10-25-24(17-21)27(36-38(25)28-35-13-16-41-28)20-11-14-37(15-12-20)42(39,40)29(32,33)34/h1-10,13,16-17,20,26H,11-12,14-15H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM111146 (US9682940, 37) Show SMILES FC(F)(F)S(=O)(=O)N1CCC(CC1)c1nn(-c2nccs2)c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H23Cl2F3N4O2S2/c30-22-6-1-18(2-7-22)26(19-3-8-23(31)9-4-19)21-5-10-25-24(17-21)27(36-38(25)28-35-13-16-41-28)20-11-14-37(15-12-20)42(39,40)29(32,33)34/h1-10,13,16-17,20,26H,11-12,14-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM111147 (US9682940, 38) Show SMILES Cc1cnc(s1)-n1nc(C2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H25Cl2F3N4O2S2/c1-18-17-36-29(42-18)39-26-11-6-22(27(19-2-7-23(31)8-3-19)20-4-9-24(32)10-5-20)16-25(26)28(37-39)21-12-14-38(15-13-21)43(40,41)30(33,34)35/h2-11,16-17,21,27H,12-15H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM111147 (US9682940, 38) Show SMILES Cc1cnc(s1)-n1nc(C2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H25Cl2F3N4O2S2/c1-18-17-36-29(42-18)39-26-11-6-22(27(19-2-7-23(31)8-3-19)20-4-9-24(32)10-5-20)16-25(26)28(37-39)21-12-14-38(15-13-21)43(40,41)30(33,34)35/h2-11,16-17,21,27H,12-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM111148 (US9682940, 39) Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H31Cl2N3O2/c1-30(2,3)37-29(36)35-16-14-21(15-17-35)28-25-18-22(8-13-26(25)33-34-28)27(19-4-9-23(31)10-5-19)20-6-11-24(32)12-7-20/h4-13,18,21,27H,14-17H2,1-3H3,(H,33,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	144	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM111148 (US9682940, 39) Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H31Cl2N3O2/c1-30(2,3)37-29(36)35-16-14-21(15-17-35)28-25-18-22(8-13-26(25)33-34-28)27(19-4-9-23(31)10-5-19)20-6-11-24(32)12-7-20/h4-13,18,21,27H,14-17H2,1-3H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM111149 (US9682940, 40) Show SMILES NC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C32H28Cl2N4O3S/c33-24-10-5-20(6-11-24)30(21-7-12-25(34)13-8-21)23-9-14-28-27(19-23)31(37-36-28)22-15-17-38(18-16-22)42(40,41)29-4-2-1-3-26(29)32(35)39/h1-14,19,22,30H,15-18H2,(H2,35,39)(H,36,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	297	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM111149 (US9682940, 40) Show SMILES NC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C32H28Cl2N4O3S/c33-24-10-5-20(6-11-24)30(21-7-12-25(34)13-8-21)23-9-14-28-27(19-23)31(37-36-28)22-15-17-38(18-16-22)42(40,41)29-4-2-1-3-26(29)32(35)39/h1-14,19,22,30H,15-18H2,(H2,35,39)(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM111150 (US9682940, 41) Show SMILES OC(=O)CC(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C28H25Cl2N3O3/c29-21-6-1-17(2-7-21)27(18-3-8-22(30)9-4-18)20-5-10-24-23(15-20)28(32-31-24)19-11-13-33(14-12-19)25(34)16-26(35)36/h1-10,15,19,27H,11-14,16H2,(H,31,32)(H,35,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.65E+3	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM111150 (US9682940, 41) Show SMILES OC(=O)CC(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C28H25Cl2N3O3/c29-21-6-1-17(2-7-21)27(18-3-8-22(30)9-4-18)20-5-10-24-23(15-20)28(32-31-24)19-11-13-33(14-12-19)25(34)16-26(35)36/h1-10,15,19,27H,11-14,16H2,(H,31,32)(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM113302 (US9682940, 42) Show SMILES OCCn1nc(N2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C27H25Cl2F3N4O3S/c28-21-6-1-18(2-7-21)25(19-3-8-22(29)9-4-19)20-5-10-24-23(17-20)26(33-36(24)15-16-37)34-11-13-35(14-12-34)40(38,39)27(30,31)32/h1-10,17,25,37H,11-16H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM113302 (US9682940, 42) Show SMILES OCCn1nc(N2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C27H25Cl2F3N4O3S/c28-21-6-1-18(2-7-21)25(19-3-8-22(29)9-4-19)20-5-10-24-23(17-20)26(33-36(24)15-16-37)34-11-13-35(14-12-34)40(38,39)27(30,31)32/h1-10,17,25,37H,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM113303 (US9682940, 43) Show SMILES NC(=O)CCC(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H28Cl2N4O2/c30-22-6-1-18(2-7-22)28(19-3-8-23(31)9-4-19)21-5-10-25-24(17-21)29(34-33-25)20-13-15-35(16-14-20)27(37)12-11-26(32)36/h1-10,17,20,28H,11-16H2,(H2,32,36)(H,33,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	169	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM113303 (US9682940, 43) Show SMILES NC(=O)CCC(=O)N1CCC(CC1)c1n[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H28Cl2N4O2/c30-22-6-1-18(2-7-22)28(19-3-8-23(31)9-4-19)21-5-10-25-24(17-21)29(34-33-25)20-13-15-35(16-14-20)27(37)12-11-26(32)36/h1-10,17,20,28H,11-16H2,(H2,32,36)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB...				US Patent US9682940 (2017) BindingDB Entry DOI: 10.7270/Q2M61HD7
					More data for this Ligand-Target Pair

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