Compile Data Set for Download or QSAR

Found 63 hits Enz. Inhib. hit(s) with all data for entry = 50045314   

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))	BDBM50056333 (CHEMBL3322470) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNCc1ccc(CNCCCCNC(=O)c2nn(c(c2C)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C50H48Cl6N8O2/c1-31-45(61-63(43-21-19-39(53)27-41(43)55)47(31)35-11-15-37(51)16-12-35)49(65)59-25-5-3-23-57-29-33-7-9-34(10-8-33)30-58-24-4-6-26-60-50(66)46-32(2)48(36-13-17-38(52)18-14-36)64(62-46)44-22-20-40(54)28-42(44)56/h7-22,27-28,57-58H,3-6,23-26,29-30H2,1-2H3,(H,59,65)(H,60,66)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H] CP-55,940 from human CB2 receptor expressed in HEK cells at 10 uM after 3 hrs by scintillation counting				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50056338 (CHEMBL3322475) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNCc1ccccc1 Show InChI InChI=1S/C28H27Cl3N4O/c1-19-26(28(36)33-16-6-5-15-32-18-20-7-3-2-4-8-20)34-35(25-14-13-23(30)17-24(25)31)27(19)21-9-11-22(29)12-10-21/h2-4,7-14,17,32H,5-6,15-16,18H2,1H3,(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H] CP-55,940 from human CB2 receptor expressed in HEK cells at 10 uM after 3 hrs by scintillation counting				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50056339 (CHEMBL3322476) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCNCc1ccccc1 Show InChI InChI=1S/C32H35Cl3N4O/c1-23-30(32(40)37-20-10-5-3-2-4-9-19-36-22-24-11-7-6-8-12-24)38-39(29-18-17-27(34)21-28(29)35)31(23)25-13-15-26(33)16-14-25/h6-8,11-18,21,36H,2-5,9-10,19-20,22H2,1H3,(H,37,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H] CP-55,940 from human CB2 receptor expressed in HEK cells at 10 uM after 3 hrs by scintillation counting				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056319 (CHEMBL3322458) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCNC(=O)c1cccc(c1)C(=O)NCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C58H60Cl6N8O4/c1-37-51(69-71(49-28-26-45(61)35-47(49)63)53(37)39-18-22-43(59)23-19-39)57(75)67-32-13-9-5-3-7-11-30-65-55(73)41-16-15-17-42(34-41)56(74)66-31-12-8-4-6-10-14-33-68-58(76)52-38(2)54(40-20-24-44(60)25-21-40)72(70-52)50-29-27-46(62)36-48(50)64/h15-29,34-36H,3-14,30-33H2,1-2H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056320 (CHEMBL3322454) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNC(=O)c1ccc(cc1)C(=O)NCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C50H44Cl6N8O4/c1-29-43(61-63(41-21-19-37(53)27-39(41)55)45(29)31-11-15-35(51)16-12-31)49(67)59-25-5-3-23-57-47(65)33-7-9-34(10-8-33)48(66)58-24-4-6-26-60-50(68)44-30(2)46(32-13-17-36(52)18-14-32)64(62-44)42-22-20-38(54)28-40(42)56/h7-22,27-28H,3-6,23-26H2,1-2H3,(H,57,65)(H,58,66)(H,59,67)(H,60,68)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056321 (CHEMBL3322455) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCNC(=O)c1ccc(cc1)C(=O)NCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C58H60Cl6N8O4/c1-37-51(69-71(49-29-27-45(61)35-47(49)63)53(37)39-19-23-43(59)24-20-39)57(75)67-33-13-9-5-3-7-11-31-65-55(73)41-15-17-42(18-16-41)56(74)66-32-12-8-4-6-10-14-34-68-58(76)52-38(2)54(40-21-25-44(60)26-22-40)72(70-52)50-30-28-46(62)36-48(50)64/h15-30,35-36H,3-14,31-34H2,1-2H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.07E+4	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056322 (CHEMBL3322457) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCNC(=O)[C@H]1CC[C@@H](CC1)C(=O)NCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r,wU:38.44,wD:35.37,(27.43,-39.65,;26.41,-40.81,;24.88,-40.66,;24.26,-42.07,;25.42,-43.09,;26.74,-42.31,;28.15,-42.92,;28.32,-44.45,;29.73,-45.06,;30.97,-44.15,;32.39,-44.76,;30.79,-42.61,;29.38,-42,;25.27,-44.62,;26.52,-45.51,;26.38,-47.04,;24.98,-47.69,;24.83,-49.22,;23.72,-46.79,;23.87,-45.26,;22.62,-44.37,;24.1,-39.34,;22.56,-39.35,;24.85,-38,;24.07,-36.67,;24.83,-35.33,;24.04,-34,;24.8,-32.66,;24.02,-31.34,;24.78,-29.99,;23.99,-28.67,;24.75,-27.33,;23.97,-26,;24.73,-24.66,;26.27,-24.64,;23.94,-23.34,;24.69,-21.99,;23.91,-20.67,;22.37,-20.69,;21.61,-22.03,;22.4,-23.35,;21.59,-19.36,;22.34,-18.02,;20.05,-19.38,;19.29,-20.72,;17.75,-20.74,;17,-22.08,;15.46,-22.1,;14.7,-23.44,;13.16,-23.46,;12.41,-24.8,;10.87,-24.82,;10.11,-26.16,;8.57,-26.19,;7.81,-27.54,;7.78,-24.86,;6.23,-24.84,;5.76,-23.37,;7.02,-22.48,;8.27,-23.39,;9.74,-22.93,;7.04,-20.93,;8.39,-20.17,;8.4,-18.62,;7.08,-17.84,;7.09,-16.29,;5.73,-18.59,;5.71,-20.14,;4.41,-22.62,;4.39,-21.07,;3.05,-20.31,;1.72,-21.1,;.37,-20.35,;1.74,-22.65,;3.09,-23.4,;3.11,-24.95,)| Show InChI InChI=1S/C58H66Cl6N8O4/c1-37-51(69-71(49-29-27-45(61)35-47(49)63)53(37)39-19-23-43(59)24-20-39)57(75)67-33-13-9-5-3-7-11-31-65-55(73)41-15-17-42(18-16-41)56(74)66-32-12-8-4-6-10-14-34-68-58(76)52-38(2)54(40-21-25-44(60)26-22-40)72(70-52)50-30-28-46(62)36-48(50)64/h19-30,35-36,41-42H,3-18,31-34H2,1-2H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)/t41-,42-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.55E+3	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056323 (CHEMBL3322459) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNC(=O)[C@H]1CC[C@H](CC1)C(=O)NCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r,wD:34.40,31.33,(30.48,-10.81,;30.17,-12.31,;28.77,-12.95,;28.93,-14.48,;30.44,-14.79,;31.2,-13.45,;32.72,-13.28,;33.63,-14.53,;35.16,-14.36,;35.78,-12.95,;37.31,-12.78,;34.86,-11.71,;33.34,-11.88,;31.07,-16.19,;32.6,-16.34,;33.23,-17.73,;32.33,-18.99,;32.97,-20.39,;30.8,-18.84,;30.17,-17.44,;28.64,-17.28,;27.43,-12.18,;26.1,-12.96,;27.42,-10.65,;26.09,-9.88,;26.08,-8.34,;24.75,-7.58,;24.74,-6.04,;23.4,-5.28,;23.4,-3.74,;24.72,-2.97,;22.04,-3.01,;22.01,-1.46,;20.66,-.72,;19.36,-1.52,;19.38,-3.06,;20.73,-3.8,;18.01,-.78,;17.98,.76,;16.69,-1.57,;16.72,-3.12,;15.4,-3.92,;15.44,-5.46,;14.11,-6.26,;14.14,-7.81,;12.82,-8.61,;12.86,-10.15,;11.47,-7.86,;10.13,-8.63,;8.98,-7.6,;9.61,-6.19,;11.15,-6.35,;12.19,-5.21,;8.84,-4.85,;9.62,-3.51,;8.85,-2.17,;7.31,-2.17,;6.53,-.82,;6.53,-3.51,;7.3,-4.84,;7.44,-7.64,;6.64,-6.31,;5.09,-6.34,;4.35,-7.69,;2.81,-7.73,;5.15,-9.02,;6.69,-8.98,;7.49,-10.3,)| Show InChI InChI=1S/C50H50Cl6N8O4/c1-29-43(61-63(41-21-19-37(53)27-39(41)55)45(29)31-11-15-35(51)16-12-31)49(67)59-25-5-3-23-57-47(65)33-7-9-34(10-8-33)48(66)58-24-4-6-26-60-50(68)44-30(2)46(32-13-17-36(52)18-14-32)64(62-44)42-22-20-38(54)28-40(42)56/h11-22,27-28,33-34H,3-10,23-26H2,1-2H3,(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t33-,34+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	9.66E+3	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056324 (CHEMBL3322460) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCNC(=O)[C@H]1CC[C@H](CC1)C(=O)NCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r,wD:38.44,35.37,(27.43,-39.65,;26.41,-40.81,;24.88,-40.66,;24.26,-42.07,;25.42,-43.09,;26.74,-42.31,;28.15,-42.92,;28.32,-44.45,;29.73,-45.06,;30.97,-44.15,;32.39,-44.76,;30.79,-42.61,;29.38,-42,;25.27,-44.62,;26.52,-45.51,;26.38,-47.04,;24.98,-47.69,;24.83,-49.22,;23.72,-46.79,;23.87,-45.26,;22.62,-44.37,;24.1,-39.34,;22.56,-39.35,;24.85,-38,;24.07,-36.67,;24.83,-35.33,;24.04,-34,;24.8,-32.66,;24.02,-31.34,;24.78,-29.99,;23.99,-28.67,;24.75,-27.33,;23.97,-26,;24.73,-24.66,;26.27,-24.64,;23.94,-23.34,;24.69,-21.99,;23.91,-20.67,;22.37,-20.69,;21.61,-22.03,;22.4,-23.35,;21.59,-19.36,;22.34,-18.02,;20.05,-19.38,;19.29,-20.72,;17.75,-20.74,;17,-22.08,;15.46,-22.1,;14.7,-23.44,;13.16,-23.46,;12.41,-24.8,;10.87,-24.82,;10.11,-26.16,;8.57,-26.19,;7.81,-27.54,;7.78,-24.86,;6.23,-24.84,;5.76,-23.37,;7.02,-22.48,;8.27,-23.39,;9.74,-22.93,;7.04,-20.93,;8.39,-20.17,;8.4,-18.62,;7.08,-17.84,;7.09,-16.29,;5.73,-18.59,;5.71,-20.14,;4.41,-22.62,;4.39,-21.07,;3.05,-20.31,;1.72,-21.1,;.37,-20.35,;1.74,-22.65,;3.09,-23.4,;3.11,-24.95,)| Show InChI InChI=1S/C58H66Cl6N8O4/c1-37-51(69-71(49-29-27-45(61)35-47(49)63)53(37)39-19-23-43(59)24-20-39)57(75)67-33-13-9-5-3-7-11-31-65-55(73)41-15-17-42(18-16-41)56(74)66-32-12-8-4-6-10-14-34-68-58(76)52-38(2)54(40-21-25-44(60)26-22-40)72(70-52)50-30-28-46(62)36-48(50)64/h19-30,35-36,41-42H,3-18,31-34H2,1-2H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)/t41-,42+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	8.71E+3	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056325 (CHEMBL3322461) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNC(=O)[C@@H]1CCC[C@H](C1)C(=O)NCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C50H50Cl6N8O4/c1-29-43(61-63(41-20-18-37(53)27-39(41)55)45(29)31-10-14-35(51)15-11-31)49(67)59-24-5-3-22-57-47(65)33-8-7-9-34(26-33)48(66)58-23-4-6-25-60-50(68)44-30(2)46(32-12-16-36(52)17-13-32)64(62-44)42-21-19-38(54)28-40(42)56/h10-21,27-28,33-34H,3-9,22-26H2,1-2H3,(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t33-,34-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	8.55E+3	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056326 (CHEMBL3322462) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCNC(=O)[C@@H]1CCC[C@H](C1)C(=O)NCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C58H66Cl6N8O4/c1-37-51(69-71(49-28-26-45(61)35-47(49)63)53(37)39-18-22-43(59)23-19-39)57(75)67-32-13-9-5-3-7-11-30-65-55(73)41-16-15-17-42(34-41)56(74)66-31-12-8-4-6-10-14-33-68-58(76)52-38(2)54(40-20-24-44(60)25-21-40)72(70-52)50-29-27-46(62)36-48(50)64/h18-29,35-36,41-42H,3-17,30-34H2,1-2H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)/t41-,42-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056327 (CHEMBL3322463) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNC(=O)[C@H]1CCC[C@H](C1)C(=O)NCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C50H50Cl6N8O4/c1-29-43(61-63(41-20-18-37(53)27-39(41)55)45(29)31-10-14-35(51)15-11-31)49(67)59-24-5-3-22-57-47(65)33-8-7-9-34(26-33)48(66)58-23-4-6-25-60-50(68)44-30(2)46(32-12-16-36(52)17-13-32)64(62-44)42-21-19-38(54)28-40(42)56/h10-21,27-28,33-34H,3-9,22-26H2,1-2H3,(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t33-,34+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.43E+4	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056328 (CHEMBL3322464) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCNC(=O)[C@H]1CCC[C@H](C1)C(=O)NCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C58H66Cl6N8O4/c1-37-51(69-71(49-28-26-45(61)35-47(49)63)53(37)39-18-22-43(59)23-19-39)57(75)67-32-13-9-5-3-7-11-30-65-55(73)41-16-15-17-42(34-41)56(74)66-31-12-8-4-6-10-14-33-68-58(76)52-38(2)54(40-20-24-44(60)25-21-40)72(70-52)50-29-27-46(62)36-48(50)64/h18-29,35-36,41-42H,3-17,30-34H2,1-2H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)/t41-,42+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056329 (CHEMBL3322465) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNC(=O)[C@H]1CCCC[C@@H]1C(=O)NCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C50H50Cl6N8O4/c1-29-43(61-63(41-21-19-35(53)27-39(41)55)45(29)31-11-15-33(51)16-12-31)49(67)59-25-7-5-23-57-47(65)37-9-3-4-10-38(37)48(66)58-24-6-8-26-60-50(68)44-30(2)46(32-13-17-34(52)18-14-32)64(62-44)42-22-20-36(54)28-40(42)56/h11-22,27-28,37-38H,3-10,23-26H2,1-2H3,(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t37-,38-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056330 (CHEMBL3322467) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)NCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |TLB:34:33:40:36.35.37,34:35:32.33.39:40,41:38:32:36.34.35,THB:37:35:32:39.38.40,37:38:32:36.34.35| Show InChI InChI=1S/C54H54Cl6N8O4/c1-31-45(65-67(43-17-15-39(57)24-41(43)59)47(31)35-7-11-37(55)12-8-35)49(69)61-19-3-5-21-63-51(71)53-26-33-23-34(27-53)29-54(28-33,30-53)52(72)64-22-6-4-20-62-50(70)46-32(2)48(36-9-13-38(56)14-10-36)68(66-46)44-18-16-40(58)25-42(44)60/h7-18,24-25,33-34H,3-6,19-23,26-30H2,1-2H3,(H,61,69)(H,62,70)(H,63,71)(H,64,72)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.62E+4	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056331 (CHEMBL3322468) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCNC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)NCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |TLB:38:37:44:40.39.41,38:39:36.37.43:44,THB:41:39:36:43.42.44,41:42:36:40.38.39,45:42:36:40.38.39| Show InChI InChI=1S/C62H70Cl6N8O4/c1-39-53(73-75(51-25-23-47(65)32-49(51)67)55(39)43-15-19-45(63)20-16-43)57(77)69-27-11-7-3-5-9-13-29-71-59(79)61-34-41-31-42(35-61)37-62(36-41,38-61)60(80)72-30-14-10-6-4-8-12-28-70-58(78)54-40(2)56(44-17-21-46(64)22-18-44)76(74-54)52-26-24-48(66)33-50(52)68/h15-26,32-33,41-42H,3-14,27-31,34-38H2,1-2H3,(H,69,77)(H,70,78)(H,71,79)(H,72,80)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.24E+3	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056332 (CHEMBL3322469) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNCc1cccc(CNCCCCNC(=O)c2nn(c(c2C)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2Cl)c1 Show InChI InChI=1S/C50H48Cl6N8O2/c1-31-45(61-63(43-20-18-39(53)27-41(43)55)47(31)35-10-14-37(51)15-11-35)49(65)59-24-5-3-22-57-29-33-8-7-9-34(26-33)30-58-23-4-6-25-60-50(66)46-32(2)48(36-12-16-38(52)17-13-36)64(62-46)44-21-19-40(54)28-42(44)56/h7-21,26-28,57-58H,3-6,22-25,29-30H2,1-2H3,(H,59,65)(H,60,66)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	8.85E+3	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056333 (CHEMBL3322470) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNCc1ccc(CNCCCCNC(=O)c2nn(c(c2C)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C50H48Cl6N8O2/c1-31-45(61-63(43-21-19-39(53)27-41(43)55)47(31)35-11-15-37(51)16-12-35)49(65)59-25-5-3-23-57-29-33-7-9-34(10-8-33)30-58-24-4-6-26-60-50(66)46-32(2)48(36-13-17-38(52)18-14-36)64(62-46)44-22-20-40(54)28-42(44)56/h7-22,27-28,57-58H,3-6,23-26,29-30H2,1-2H3,(H,59,65)(H,60,66)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.95E+3	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056334 (CHEMBL3322471) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNC(=O)c1ccccc1 Show InChI InChI=1S/C28H25Cl3N4O2/c1-18-25(28(37)33-16-6-5-15-32-27(36)20-7-3-2-4-8-20)34-35(24-14-13-22(30)17-23(24)31)26(18)19-9-11-21(29)12-10-19/h2-4,7-14,17H,5-6,15-16H2,1H3,(H,32,36)(H,33,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	776	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056335 (CHEMBL3322472) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCNC(=O)c1ccccc1 Show InChI InChI=1S/C32H33Cl3N4O2/c1-22-29(32(41)37-20-10-5-3-2-4-9-19-36-31(40)24-11-7-6-8-12-24)38-39(28-18-17-26(34)21-27(28)35)30(22)23-13-15-25(33)16-14-23/h6-8,11-18,21H,2-5,9-10,19-20H2,1H3,(H,36,40)(H,37,41)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	501	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056336 (CHEMBL3322473) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNC(=O)C1CCCCC1 Show InChI InChI=1S/C28H31Cl3N4O2/c1-18-25(28(37)33-16-6-5-15-32-27(36)20-7-3-2-4-8-20)34-35(24-14-13-22(30)17-23(24)31)26(18)19-9-11-21(29)12-10-19/h9-14,17,20H,2-8,15-16H2,1H3,(H,32,36)(H,33,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056337 (CHEMBL3322474) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCNC(=O)C1CCCCC1 Show InChI InChI=1S/C32H39Cl3N4O2/c1-22-29(32(41)37-20-10-5-3-2-4-9-19-36-31(40)24-11-7-6-8-12-24)38-39(28-18-17-26(34)21-27(28)35)30(22)23-13-15-25(33)16-14-23/h13-18,21,24H,2-12,19-20H2,1H3,(H,36,40)(H,37,41)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056338 (CHEMBL3322475) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNCc1ccccc1 Show InChI InChI=1S/C28H27Cl3N4O/c1-19-26(28(36)33-16-6-5-15-32-18-20-7-3-2-4-8-20)34-35(25-14-13-23(30)17-24(25)31)27(19)21-9-11-22(29)12-10-21/h2-4,7-14,17,32H,5-6,15-16,18H2,1H3,(H,33,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	661	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056339 (CHEMBL3322476) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCNCc1ccccc1 Show InChI InChI=1S/C32H35Cl3N4O/c1-23-30(32(40)37-20-10-5-3-2-4-9-19-36-22-24-11-7-6-8-12-24)38-39(29-18-17-27(34)21-28(29)35)31(23)25-13-15-26(33)16-14-25/h6-8,11-18,21,36H,2-5,9-10,19-20,22H2,1H3,(H,37,40)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	123	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056340 (CHEMBL3322478) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNCc1cccc(c1)C(=O)NCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C50H46Cl6N8O3/c1-30-44(61-63(42-20-18-38(53)27-40(42)55)46(30)33-10-14-36(51)15-11-33)49(66)59-24-4-3-22-57-29-32-8-7-9-35(26-32)48(65)58-23-5-6-25-60-50(67)45-31(2)47(34-12-16-37(52)17-13-34)64(62-45)43-21-19-39(54)28-41(43)56/h7-21,26-28,57H,3-6,22-25,29H2,1-2H3,(H,58,65)(H,59,66)(H,60,67)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056341 (CHEMBL3322479) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNCc1ccc(cc1)C(=O)NCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C50H46Cl6N8O3/c1-30-44(61-63(42-21-19-38(53)27-40(42)55)46(30)33-11-15-36(51)16-12-33)49(66)59-25-4-3-23-57-29-32-7-9-35(10-8-32)48(65)58-24-5-6-26-60-50(67)45-31(2)47(34-13-17-37(52)18-14-34)64(62-45)43-22-20-39(54)28-41(43)56/h7-22,27-28,57H,3-6,23-26,29H2,1-2H3,(H,58,65)(H,59,66)(H,60,67)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.91E+3	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21279 (1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...) Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	68	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056316 (CHEMBL3322348) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCN Show InChI InChI=1S/C21H21Cl3N4O/c1-13-19(21(29)26-11-3-2-10-25)27-28(18-9-8-16(23)12-17(18)24)20(13)14-4-6-15(22)7-5-14/h4-9,12H,2-3,10-11,25H2,1H3,(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.82E+3	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056317 (CHEMBL3322349) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCN Show InChI InChI=1S/C25H29Cl3N4O/c1-17-23(25(33)30-15-7-5-3-2-4-6-14-29)31-32(22-13-12-20(27)16-21(22)28)24(17)18-8-10-19(26)11-9-18/h8-13,16H,2-7,14-15,29H2,1H3,(H,30,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	112	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056318 (CHEMBL3322350) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCN(CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)Cc1ccccc1 Show InChI InChI=1S/C55H57Cl6N7O2/c1-37-50(64-67(48-28-26-44(58)34-46(48)60)52(37)40-18-22-42(56)23-19-40)54(69)62-30-12-5-3-7-14-32-66(36-39-16-10-9-11-17-39)33-15-8-4-6-13-31-63-55(70)51-38(2)53(41-20-24-43(57)25-21-41)68(65-51)49-29-27-45(59)35-47(49)61/h9-11,16-29,34-35H,3-8,12-15,30-33,36H2,1-2H3,(H,62,69)(H,63,70)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.89E+3	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50328952 (CHEMBL1269766 | N,N'-(Iminodiheptane-7,1-diyl)bis[...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCNCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C48H51Cl6N7O2/c1-31-43(58-60(41-23-21-37(51)29-39(41)53)45(31)33-13-17-35(49)18-14-33)47(62)56-27-11-7-3-5-9-25-55-26-10-6-4-8-12-28-57-48(63)44-32(2)46(34-15-19-36(50)20-16-34)61(59-44)42-24-22-38(52)30-40(42)54/h13-24,29-30,55H,3-12,25-28H2,1-2H3,(H,56,62)(H,57,63)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	871	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056319 (CHEMBL3322458) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCNC(=O)c1cccc(c1)C(=O)NCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C58H60Cl6N8O4/c1-37-51(69-71(49-28-26-45(61)35-47(49)63)53(37)39-18-22-43(59)23-19-39)57(75)67-32-13-9-5-3-7-11-30-65-55(73)41-16-15-17-42(34-41)56(74)66-31-12-8-4-6-10-14-33-68-58(76)52-38(2)54(40-20-24-44(60)25-21-40)72(70-52)50-29-27-46(62)36-48(50)64/h15-29,34-36H,3-14,30-33H2,1-2H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056320 (CHEMBL3322454) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNC(=O)c1ccc(cc1)C(=O)NCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C50H44Cl6N8O4/c1-29-43(61-63(41-21-19-37(53)27-39(41)55)45(29)31-11-15-35(51)16-12-31)49(67)59-25-5-3-23-57-47(65)33-7-9-34(10-8-33)48(66)58-24-4-6-26-60-50(68)44-30(2)46(32-13-17-36(52)18-14-32)64(62-44)42-22-20-38(54)28-40(42)56/h7-22,27-28H,3-6,23-26H2,1-2H3,(H,57,65)(H,58,66)(H,59,67)(H,60,68)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056321 (CHEMBL3322455) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCNC(=O)c1ccc(cc1)C(=O)NCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C58H60Cl6N8O4/c1-37-51(69-71(49-29-27-45(61)35-47(49)63)53(37)39-19-23-43(59)24-20-39)57(75)67-33-13-9-5-3-7-11-31-65-55(73)41-15-17-42(18-16-41)56(74)66-32-12-8-4-6-10-14-34-68-58(76)52-38(2)54(40-21-25-44(60)26-22-40)72(70-52)50-30-28-46(62)36-48(50)64/h15-30,35-36H,3-14,31-34H2,1-2H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.07E+4	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056322 (CHEMBL3322457) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCNC(=O)[C@H]1CC[C@@H](CC1)C(=O)NCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r,wU:38.44,wD:35.37,(27.43,-39.65,;26.41,-40.81,;24.88,-40.66,;24.26,-42.07,;25.42,-43.09,;26.74,-42.31,;28.15,-42.92,;28.32,-44.45,;29.73,-45.06,;30.97,-44.15,;32.39,-44.76,;30.79,-42.61,;29.38,-42,;25.27,-44.62,;26.52,-45.51,;26.38,-47.04,;24.98,-47.69,;24.83,-49.22,;23.72,-46.79,;23.87,-45.26,;22.62,-44.37,;24.1,-39.34,;22.56,-39.35,;24.85,-38,;24.07,-36.67,;24.83,-35.33,;24.04,-34,;24.8,-32.66,;24.02,-31.34,;24.78,-29.99,;23.99,-28.67,;24.75,-27.33,;23.97,-26,;24.73,-24.66,;26.27,-24.64,;23.94,-23.34,;24.69,-21.99,;23.91,-20.67,;22.37,-20.69,;21.61,-22.03,;22.4,-23.35,;21.59,-19.36,;22.34,-18.02,;20.05,-19.38,;19.29,-20.72,;17.75,-20.74,;17,-22.08,;15.46,-22.1,;14.7,-23.44,;13.16,-23.46,;12.41,-24.8,;10.87,-24.82,;10.11,-26.16,;8.57,-26.19,;7.81,-27.54,;7.78,-24.86,;6.23,-24.84,;5.76,-23.37,;7.02,-22.48,;8.27,-23.39,;9.74,-22.93,;7.04,-20.93,;8.39,-20.17,;8.4,-18.62,;7.08,-17.84,;7.09,-16.29,;5.73,-18.59,;5.71,-20.14,;4.41,-22.62,;4.39,-21.07,;3.05,-20.31,;1.72,-21.1,;.37,-20.35,;1.74,-22.65,;3.09,-23.4,;3.11,-24.95,)| Show InChI InChI=1S/C58H66Cl6N8O4/c1-37-51(69-71(49-29-27-45(61)35-47(49)63)53(37)39-19-23-43(59)24-20-39)57(75)67-33-13-9-5-3-7-11-31-65-55(73)41-15-17-42(18-16-41)56(74)66-32-12-8-4-6-10-14-34-68-58(76)52-38(2)54(40-21-25-44(60)26-22-40)72(70-52)50-30-28-46(62)36-48(50)64/h19-30,35-36,41-42H,3-18,31-34H2,1-2H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)/t41-,42-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.55E+3	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056323 (CHEMBL3322459) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNC(=O)[C@H]1CC[C@H](CC1)C(=O)NCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r,wD:34.40,31.33,(30.48,-10.81,;30.17,-12.31,;28.77,-12.95,;28.93,-14.48,;30.44,-14.79,;31.2,-13.45,;32.72,-13.28,;33.63,-14.53,;35.16,-14.36,;35.78,-12.95,;37.31,-12.78,;34.86,-11.71,;33.34,-11.88,;31.07,-16.19,;32.6,-16.34,;33.23,-17.73,;32.33,-18.99,;32.97,-20.39,;30.8,-18.84,;30.17,-17.44,;28.64,-17.28,;27.43,-12.18,;26.1,-12.96,;27.42,-10.65,;26.09,-9.88,;26.08,-8.34,;24.75,-7.58,;24.74,-6.04,;23.4,-5.28,;23.4,-3.74,;24.72,-2.97,;22.04,-3.01,;22.01,-1.46,;20.66,-.72,;19.36,-1.52,;19.38,-3.06,;20.73,-3.8,;18.01,-.78,;17.98,.76,;16.69,-1.57,;16.72,-3.12,;15.4,-3.92,;15.44,-5.46,;14.11,-6.26,;14.14,-7.81,;12.82,-8.61,;12.86,-10.15,;11.47,-7.86,;10.13,-8.63,;8.98,-7.6,;9.61,-6.19,;11.15,-6.35,;12.19,-5.21,;8.84,-4.85,;9.62,-3.51,;8.85,-2.17,;7.31,-2.17,;6.53,-.82,;6.53,-3.51,;7.3,-4.84,;7.44,-7.64,;6.64,-6.31,;5.09,-6.34,;4.35,-7.69,;2.81,-7.73,;5.15,-9.02,;6.69,-8.98,;7.49,-10.3,)| Show InChI InChI=1S/C50H50Cl6N8O4/c1-29-43(61-63(41-21-19-37(53)27-39(41)55)45(29)31-11-15-35(51)16-12-31)49(67)59-25-5-3-23-57-47(65)33-7-9-34(10-8-33)48(66)58-24-4-6-26-60-50(68)44-30(2)46(32-13-17-36(52)18-14-32)64(62-44)42-22-20-38(54)28-40(42)56/h11-22,27-28,33-34H,3-10,23-26H2,1-2H3,(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t33-,34+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	9.55E+3	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056324 (CHEMBL3322460) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCNC(=O)[C@H]1CC[C@H](CC1)C(=O)NCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r,wD:38.44,35.37,(27.43,-39.65,;26.41,-40.81,;24.88,-40.66,;24.26,-42.07,;25.42,-43.09,;26.74,-42.31,;28.15,-42.92,;28.32,-44.45,;29.73,-45.06,;30.97,-44.15,;32.39,-44.76,;30.79,-42.61,;29.38,-42,;25.27,-44.62,;26.52,-45.51,;26.38,-47.04,;24.98,-47.69,;24.83,-49.22,;23.72,-46.79,;23.87,-45.26,;22.62,-44.37,;24.1,-39.34,;22.56,-39.35,;24.85,-38,;24.07,-36.67,;24.83,-35.33,;24.04,-34,;24.8,-32.66,;24.02,-31.34,;24.78,-29.99,;23.99,-28.67,;24.75,-27.33,;23.97,-26,;24.73,-24.66,;26.27,-24.64,;23.94,-23.34,;24.69,-21.99,;23.91,-20.67,;22.37,-20.69,;21.61,-22.03,;22.4,-23.35,;21.59,-19.36,;22.34,-18.02,;20.05,-19.38,;19.29,-20.72,;17.75,-20.74,;17,-22.08,;15.46,-22.1,;14.7,-23.44,;13.16,-23.46,;12.41,-24.8,;10.87,-24.82,;10.11,-26.16,;8.57,-26.19,;7.81,-27.54,;7.78,-24.86,;6.23,-24.84,;5.76,-23.37,;7.02,-22.48,;8.27,-23.39,;9.74,-22.93,;7.04,-20.93,;8.39,-20.17,;8.4,-18.62,;7.08,-17.84,;7.09,-16.29,;5.73,-18.59,;5.71,-20.14,;4.41,-22.62,;4.39,-21.07,;3.05,-20.31,;1.72,-21.1,;.37,-20.35,;1.74,-22.65,;3.09,-23.4,;3.11,-24.95,)| Show InChI InChI=1S/C58H66Cl6N8O4/c1-37-51(69-71(49-29-27-45(61)35-47(49)63)53(37)39-19-23-43(59)24-20-39)57(75)67-33-13-9-5-3-7-11-31-65-55(73)41-15-17-42(18-16-41)56(74)66-32-12-8-4-6-10-14-34-68-58(76)52-38(2)54(40-21-25-44(60)26-22-40)72(70-52)50-30-28-46(62)36-48(50)64/h19-30,35-36,41-42H,3-18,31-34H2,1-2H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)/t41-,42+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	8.71E+3	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056325 (CHEMBL3322461) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNC(=O)[C@@H]1CCC[C@H](C1)C(=O)NCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C50H50Cl6N8O4/c1-29-43(61-63(41-20-18-37(53)27-39(41)55)45(29)31-10-14-35(51)15-11-31)49(67)59-24-5-3-22-57-47(65)33-8-7-9-34(26-33)48(66)58-23-4-6-25-60-50(68)44-30(2)46(32-12-16-36(52)17-13-32)64(62-44)42-21-19-38(54)28-40(42)56/h10-21,27-28,33-34H,3-9,22-26H2,1-2H3,(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t33-,34-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	8.51E+3	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056326 (CHEMBL3322462) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCNC(=O)[C@@H]1CCC[C@H](C1)C(=O)NCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C58H66Cl6N8O4/c1-37-51(69-71(49-28-26-45(61)35-47(49)63)53(37)39-18-22-43(59)23-19-39)57(75)67-32-13-9-5-3-7-11-30-65-55(73)41-16-15-17-42(34-41)56(74)66-31-12-8-4-6-10-14-33-68-58(76)52-38(2)54(40-20-24-44(60)25-21-40)72(70-52)50-29-27-46(62)36-48(50)64/h18-29,35-36,41-42H,3-17,30-34H2,1-2H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)/t41-,42-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.59E+3	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056327 (CHEMBL3322463) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNC(=O)[C@H]1CCC[C@H](C1)C(=O)NCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C50H50Cl6N8O4/c1-29-43(61-63(41-20-18-37(53)27-39(41)55)45(29)31-10-14-35(51)15-11-31)49(67)59-24-5-3-22-57-47(65)33-8-7-9-34(26-33)48(66)58-23-4-6-25-60-50(68)44-30(2)46(32-12-16-36(52)17-13-32)64(62-44)42-21-19-38(54)28-40(42)56/h10-21,27-28,33-34H,3-9,22-26H2,1-2H3,(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t33-,34+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056328 (CHEMBL3322464) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCNC(=O)[C@H]1CCC[C@H](C1)C(=O)NCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C58H66Cl6N8O4/c1-37-51(69-71(49-28-26-45(61)35-47(49)63)53(37)39-18-22-43(59)23-19-39)57(75)67-32-13-9-5-3-7-11-30-65-55(73)41-16-15-17-42(34-41)56(74)66-31-12-8-4-6-10-14-33-68-58(76)52-38(2)54(40-20-24-44(60)25-21-40)72(70-52)50-29-27-46(62)36-48(50)64/h18-29,35-36,41-42H,3-17,30-34H2,1-2H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)/t41-,42+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056329 (CHEMBL3322465) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNC(=O)[C@H]1CCCC[C@@H]1C(=O)NCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C50H50Cl6N8O4/c1-29-43(61-63(41-21-19-35(53)27-39(41)55)45(29)31-11-15-33(51)16-12-31)49(67)59-25-7-5-23-57-47(65)37-9-3-4-10-38(37)48(66)58-24-6-8-26-60-50(68)44-30(2)46(32-13-17-34(52)18-14-32)64(62-44)42-22-20-36(54)28-40(42)56/h11-22,27-28,37-38H,3-10,23-26H2,1-2H3,(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t37-,38-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056330 (CHEMBL3322467) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)NCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |TLB:34:33:40:36.35.37,34:35:32.33.39:40,41:38:32:36.34.35,THB:37:35:32:39.38.40,37:38:32:36.34.35| Show InChI InChI=1S/C54H54Cl6N8O4/c1-31-45(65-67(43-17-15-39(57)24-41(43)59)47(31)35-7-11-37(55)12-8-35)49(69)61-19-3-5-21-63-51(71)53-26-33-23-34(27-53)29-54(28-33,30-53)52(72)64-22-6-4-20-62-50(70)46-32(2)48(36-9-13-38(56)14-10-36)68(66-46)44-18-16-40(58)25-42(44)60/h7-18,24-25,33-34H,3-6,19-23,26-30H2,1-2H3,(H,61,69)(H,62,70)(H,63,71)(H,64,72)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.62E+4	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056331 (CHEMBL3322468) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCNC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)NCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |TLB:38:37:44:40.39.41,38:39:36.37.43:44,THB:41:39:36:43.42.44,41:42:36:40.38.39,45:42:36:40.38.39| Show InChI InChI=1S/C62H70Cl6N8O4/c1-39-53(73-75(51-25-23-47(65)32-49(51)67)55(39)43-15-19-45(63)20-16-43)57(77)69-27-11-7-3-5-9-13-29-71-59(79)61-34-41-31-42(35-61)37-62(36-41,38-61)60(80)72-30-14-10-6-4-8-12-28-70-58(78)54-40(2)56(44-17-21-46(64)22-18-44)76(74-54)52-26-24-48(66)33-50(52)68/h15-26,32-33,41-42H,3-14,27-31,34-38H2,1-2H3,(H,69,77)(H,70,78)(H,71,79)(H,72,80)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.24E+3	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056332 (CHEMBL3322469) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNCc1cccc(CNCCCCNC(=O)c2nn(c(c2C)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2Cl)c1 Show InChI InChI=1S/C50H48Cl6N8O2/c1-31-45(61-63(43-20-18-39(53)27-41(43)55)47(31)35-10-14-37(51)15-11-35)49(65)59-24-5-3-22-57-29-33-8-7-9-34(26-33)30-58-23-4-6-25-60-50(66)46-32(2)48(36-12-16-38(52)17-13-36)64(62-46)44-21-19-40(54)28-42(44)56/h7-21,26-28,57-58H,3-6,22-25,29-30H2,1-2H3,(H,59,65)(H,60,66)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	8.91E+3	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056333 (CHEMBL3322470) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNCc1ccc(CNCCCCNC(=O)c2nn(c(c2C)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C50H48Cl6N8O2/c1-31-45(61-63(43-21-19-39(53)27-41(43)55)47(31)35-11-15-37(51)16-12-35)49(65)59-25-5-3-23-57-29-33-7-9-34(10-8-33)30-58-24-4-6-26-60-50(66)46-32(2)48(36-13-17-38(52)18-14-36)64(62-46)44-22-20-40(54)28-42(44)56/h7-22,27-28,57-58H,3-6,23-26,29-30H2,1-2H3,(H,59,65)(H,60,66)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.95E+3	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056334 (CHEMBL3322471) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNC(=O)c1ccccc1 Show InChI InChI=1S/C28H25Cl3N4O2/c1-18-25(28(37)33-16-6-5-15-32-27(36)20-7-3-2-4-8-20)34-35(24-14-13-22(30)17-23(24)31)26(18)19-9-11-21(29)12-10-19/h2-4,7-14,17H,5-6,15-16H2,1H3,(H,32,36)(H,33,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	776	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056335 (CHEMBL3322472) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCNC(=O)c1ccccc1 Show InChI InChI=1S/C32H33Cl3N4O2/c1-22-29(32(41)37-20-10-5-3-2-4-9-19-36-31(40)24-11-7-6-8-12-24)38-39(28-18-17-26(34)21-27(28)35)30(22)23-13-15-25(33)16-14-23/h6-8,11-18,21H,2-5,9-10,19-20H2,1H3,(H,36,40)(H,37,41)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	501	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056336 (CHEMBL3322473) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNC(=O)C1CCCCC1 Show InChI InChI=1S/C28H31Cl3N4O2/c1-18-25(28(37)33-16-6-5-15-32-27(36)20-7-3-2-4-8-20)34-35(24-14-13-22(30)17-23(24)31)26(18)19-9-11-21(29)12-10-19/h9-14,17,20H,2-8,15-16H2,1H3,(H,32,36)(H,33,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Julius-Maximilians-Universit£t W£rzburg Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...				Bioorg Med Chem Lett 24: 4209-14 (2014) Article DOI: 10.1016/j.bmcl.2014.07.038 BindingDB Entry DOI: 10.7270/Q26M38HV
					More data for this Ligand-Target Pair

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