Compile Data Set for Download or QSAR

Found 92 hits Enz. Inhib. hit(s) with all data for entry = 9398   

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 (Mus musculus (Mouse))	BDBM463872 (US10787419, Serial # 72) Show SMILES CC(=O)NC(=N)C(=N/S(=O)(=O)c1ccc(cc1)C(F)(F)F)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:25| Show InChI InChI=1S/C26H21ClF3N5O3S/c1-16(36)32-24(31)25(34-39(37,38)21-13-9-19(10-14-21)26(28,29)30)35-15-22(17-5-3-2-4-6-17)23(33-35)18-7-11-20(27)12-8-18/h2-14,22H,15H2,1H3,(H2,31,32,36)/b34-25+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463870 (US10787419, Serial # 70) Show SMILES CC(=O)NC(=N)C(=N/S(=O)(=O)c1ccc(I)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:22| Show InChI InChI=1S/C25H21ClIN5O3S/c1-16(33)29-24(28)25(31-36(34,35)21-13-11-20(27)12-14-21)32-15-22(17-5-3-2-4-6-17)23(30-32)18-7-9-19(26)10-8-18/h2-14,22H,15H2,1H3,(H2,28,29,33)/b31-25+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463781 (US10787419, Serial # 3E1) Show SMILES CC(C)(C)C(=N)C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,c:22| Show InChI InChI=1S/C27H26Cl2N4O2S/c1-27(2,3)25(30)26(32-36(34,35)22-15-13-21(29)14-16-22)33-17-23(18-7-5-4-6-8-18)24(31-33)19-9-11-20(28)12-10-19/h4-16,23,30H,17H2,1-3H3/b30-25?,32-26+/t23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463825 (US10787419, Serial # 34) Show SMILES CC(=N)C(=N/S(=O)(=O)c1ccc(cc1)C(F)(F)F)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:22| Show InChI InChI=1S/C25H20ClF3N4O2S/c1-16(30)24(32-36(34,35)21-13-9-19(10-14-21)25(27,28)29)33-15-22(17-5-3-2-4-6-17)23(31-33)18-7-11-20(26)12-8-18/h2-14,22,30H,15H2,1H3/b30-16?,32-24+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463832 (US10787419, Serial # 41) Show SMILES CC(C)(C)OC(=O)NC(=N)C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:26| Show InChI InChI=1S/C28H27Cl2N5O4S/c1-28(2,3)39-27(36)32-25(31)26(34-40(37,38)22-15-13-21(30)14-16-22)35-17-23(18-7-5-4-6-8-18)24(33-35)19-9-11-20(29)12-10-19/h4-16,23H,17H2,1-3H3,(H2,31,32,36)/b34-26+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463765 (US10787419, Compound 41) Show SMILES CC(C)(C)OC(=O)ONC(=N)N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:28| Show InChI InChI=1S/C28H28Cl2N6O5S/c1-28(2,3)40-27(37)41-34-25(31)32-26(35-42(38,39)22-15-13-21(30)14-16-22)36-17-23(18-7-5-4-6-8-18)24(33-36)19-9-11-20(29)12-10-19/h4-16,23H,17H2,1-3H3,(H3,31,32,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463793 (US10787419, Serial # 10E1) Show SMILES Fc1ccc(cc1)C(=N)C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,c:26| Show InChI InChI=1S/C29H21Cl2FN4O2S/c30-22-10-6-21(7-11-22)28-26(19-4-2-1-3-5-19)18-36(34-28)29(27(33)20-8-14-24(32)15-9-20)35-39(37,38)25-16-12-23(31)13-17-25/h1-17,26,33H,18H2/b33-27?,35-29+/t26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463780 (US10787419, Serial # 3) Show SMILES CC(C)(C)C(=N)C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:22| Show InChI InChI=1S/C27H26Cl2N4O2S/c1-27(2,3)25(30)26(32-36(34,35)22-15-13-21(29)14-16-22)33-17-23(18-7-5-4-6-8-18)24(31-33)19-9-11-20(28)12-10-19/h4-16,23,30H,17H2,1-3H3/b30-25?,32-26+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463771 (US10787419, Compound 3) Show SMILES CC(C)(C)C(=N)N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:23| Show InChI InChI=1S/C27H27Cl2N5O2S/c1-27(2,3)25(30)31-26(33-37(35,36)22-15-13-21(29)14-16-22)34-17-23(18-7-5-4-6-8-18)24(32-34)19-9-11-20(28)12-10-19/h4-16,23H,17H2,1-3H3,(H2,30,31,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463807 (US10787419, Serial # 19) Show SMILES Fc1ccc(C(=N)C(=N/S(=O)(=O)c2ccc(Cl)cc2)\N2CC(C(=N2)c2ccc(Cl)cc2)c2ccccc2)c(F)c1 |c:23| Show InChI InChI=1S/C29H20Cl2F2N4O2S/c30-20-8-6-19(7-9-20)28-25(18-4-2-1-3-5-18)17-37(35-28)29(27(34)24-15-12-22(32)16-26(24)33)36-40(38,39)23-13-10-21(31)11-14-23/h1-16,25,34H,17H2/b34-27?,36-29+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463792 (US10787419, Serial # 10) Show SMILES Fc1ccc(cc1)C(=N)C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:26| Show InChI InChI=1S/C29H21Cl2FN4O2S/c30-22-10-6-21(7-11-22)28-26(19-4-2-1-3-5-19)18-36(34-28)29(27(33)20-8-14-24(32)15-9-20)35-39(37,38)25-16-12-23(31)13-17-25/h1-17,26,33H,18H2/b33-27?,35-29+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463824 (US10787419, Serial # 33) Show SMILES CC(=N)C(=N/S(=O)(=O)c1ccc(cc1)C1CCCC1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:24| Show InChI InChI=1S/C29H29ClN4O2S/c1-20(31)29(33-37(35,36)26-17-13-22(14-18-26)21-7-5-6-8-21)34-19-27(23-9-3-2-4-10-23)28(32-34)24-11-15-25(30)16-12-24/h2-4,9-18,21,27,31H,5-8,19H2,1H3/b31-20?,33-29+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463762 (US10787419, Compound 2E1) Show SMILES CC(=N)N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,c:20| Show InChI InChI=1S/C24H21Cl2N5O2S/c1-16(27)28-24(30-34(32,33)21-13-11-20(26)12-14-21)31-15-22(17-5-3-2-4-6-17)23(29-31)18-7-9-19(25)10-8-18/h2-14,22H,15H2,1H3,(H2,27,28,30)/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463864 (US10787419, Serial # 65) Show SMILES CC(=O)NC(=N)C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:22| Show InChI InChI=1S/C25H21Cl2N5O3S/c1-16(33)29-24(28)25(31-36(34,35)21-13-11-20(27)12-14-21)32-15-22(17-5-3-2-4-6-17)23(30-32)18-7-9-19(26)10-8-18/h2-14,22H,15H2,1H3,(H2,28,29,33)/b31-25+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463777 (US10787419, Serial # 2E1) Show SMILES CC(=N)C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,c:19| Show InChI InChI=1S/C24H20Cl2N4O2S/c1-16(27)24(29-33(31,32)21-13-11-20(26)12-14-21)30-15-22(17-5-3-2-4-6-17)23(28-30)18-7-9-19(25)10-8-18/h2-14,22,27H,15H2,1H3/b27-16?,29-24+/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463818 (US10787419, Serial # 29) Show SMILES CC(=N)C(=N/S(=O)(=O)c1ccc(I)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:19| Show InChI InChI=1S/C24H20ClIN4O2S/c1-16(27)24(29-33(31,32)21-13-11-20(26)12-14-21)30-15-22(17-5-3-2-4-6-17)23(28-30)18-7-9-19(25)10-8-18/h2-14,22,27H,15H2,1H3/b27-16?,29-24+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463795 (US10787419, Serial # 11) Show SMILES Clc1ccc(cc1)C(=N)C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:26| Show InChI InChI=1S/C29H21Cl3N4O2S/c30-22-10-6-20(7-11-22)27(33)29(35-39(37,38)25-16-14-24(32)15-17-25)36-18-26(19-4-2-1-3-5-19)28(34-36)21-8-12-23(31)13-9-21/h1-17,26,33H,18H2/b33-27?,35-29+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463869 (US10787419, Serial # 69) Show SMILES Cc1cc(C)n(n1)C(=N)C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:26| Show InChI InChI=1S/C28H24Cl2N6O2S/c1-18-16-19(2)36(32-18)27(31)28(34-39(37,38)24-14-12-23(30)13-15-24)35-17-25(20-6-4-3-5-7-20)26(33-35)21-8-10-22(29)11-9-21/h3-16,25,31H,17H2,1-2H3/b31-27?,34-28+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463862 (US10787419, Serial # 63) Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(=N\S(=O)(=O)c1ccc(Cl)cc1)\C(=N)n1cccn1 |t:8| Show InChI InChI=1S/C26H20Cl2N6O2S/c27-20-9-7-19(8-10-20)24-23(18-5-2-1-3-6-18)17-34(31-24)26(25(29)33-16-4-15-30-33)32-37(35,36)22-13-11-21(28)12-14-22/h1-16,23,29H,17H2/b29-25?,32-26+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463782 (US10787419, Serial # 4) Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(=N\S(=O)(=O)c1ccc(Cl)cc1)\C(=N)C1CC1 |t:8| Show InChI InChI=1S/C26H22Cl2N4O2S/c27-20-10-8-19(9-11-20)25-23(17-4-2-1-3-5-17)16-32(30-25)26(24(29)18-6-7-18)31-35(33,34)22-14-12-21(28)13-15-22/h1-5,8-15,18,23,29H,6-7,16H2/b29-24?,31-26+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463770 (US10787419, Compound 4) Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(\NC(=N)C1CC1)=N\S(=O)(=O)c1ccc(Cl)cc1 |t:8| Show InChI InChI=1S/C26H23Cl2N5O2S/c27-20-10-8-18(9-11-20)24-23(17-4-2-1-3-5-17)16-33(31-24)26(30-25(29)19-6-7-19)32-36(34,35)22-14-12-21(28)13-15-22/h1-5,8-15,19,23H,6-7,16H2,(H2,29,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463789 (US10787419, Serial # 7) Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(=N\S(=O)(=O)c1ccc(Cl)cc1)\C12CC3CC(CC(C3)C1)C2 |t:8,TLB:33:34:38:31.32.37,THB:33:32:38:34.39.35,35:34:31:38.37.36,35:36:31:34.33.39| Show InChI InChI=1S/C32H31Cl2N3O2S/c33-26-8-6-25(7-9-26)30-29(24-4-2-1-3-5-24)20-37(35-30)31(36-40(38,39)28-12-10-27(34)11-13-28)32-17-21-14-22(18-32)16-23(15-21)19-32/h1-13,21-23,29H,14-20H2/b36-31+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463796 (US10787419, Serial # 11E1) Show SMILES Clc1ccc(cc1)C(=N)C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,c:26| Show InChI InChI=1S/C29H21Cl3N4O2S/c30-22-10-6-20(7-11-22)27(33)29(35-39(37,38)25-16-14-24(32)15-17-25)36-18-26(19-4-2-1-3-5-19)28(34-36)21-8-12-23(31)13-9-21/h1-17,26,33H,18H2/b33-27?,35-29+/t26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463871 (US10787419, Serial # 71) Show SMILES CC(=O)NC(=N)C(=N/S(=O)(=O)c1ccc(cc1)C1CCCC1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:27| Show InChI InChI=1S/C30H30ClN5O3S/c1-20(37)33-29(32)30(35-40(38,39)26-17-13-22(14-18-26)21-7-5-6-8-21)36-19-27(23-9-3-2-4-10-23)28(34-36)24-11-15-25(31)16-12-24/h2-4,9-18,21,27H,5-8,19H2,1H3,(H2,32,33,37)/b35-30+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463761 (US10787419, Compound 2) Show SMILES CC(=N)N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:20| Show InChI InChI=1S/C24H21Cl2N5O2S/c1-16(27)28-24(30-34(32,33)21-13-11-20(26)12-14-21)31-15-22(17-5-3-2-4-6-17)23(29-31)18-7-9-19(25)10-8-18/h2-14,22H,15H2,1H3,(H2,27,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463776 (US10787419, Serial # 2) Show SMILES CC(=N)C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:19| Show InChI InChI=1S/C24H20Cl2N4O2S/c1-16(27)24(29-33(31,32)21-13-11-20(26)12-14-21)30-15-22(17-5-3-2-4-6-17)23(28-30)18-7-9-19(25)10-8-18/h2-14,22,27H,15H2,1H3/b27-16?,29-24+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463816 (US10787419, Serial # 28) Show SMILES CC(=N)C(=N/S(=O)(=O)c1ccc(Br)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:19| Show InChI InChI=1S/C24H20BrClN4O2S/c1-16(27)24(29-33(31,32)21-13-9-19(25)10-14-21)30-15-22(17-5-3-2-4-6-17)23(28-30)18-7-11-20(26)12-8-18/h2-14,22,27H,15H2,1H3/b27-16?,29-24+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463803 (US10787419, Serial # 15) Show SMILES Fc1ccccc1C(=N)C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:26| Show InChI InChI=1S/C29H21Cl2FN4O2S/c30-21-12-10-20(11-13-21)28-25(19-6-2-1-3-7-19)18-36(34-28)29(27(33)24-8-4-5-9-26(24)32)35-39(37,38)23-16-14-22(31)15-17-23/h1-17,25,33H,18H2/b33-27?,35-29+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463833 (US10787419, Serial # 42 | US10787419, Serial # 43) Show SMILES COCCN(C)C(=N)C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:24| Show InChI InChI=1S/C27H27Cl2N5O3S/c1-33(16-17-37-2)26(30)27(32-38(35,36)23-14-12-22(29)13-15-23)34-18-24(19-6-4-3-5-7-19)25(31-34)20-8-10-21(28)11-9-20/h3-15,24,30H,16-18H2,1-2H3/b30-26?,32-27+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463764 (US10787419, Compound 8) Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(\NC(=N)c1ccccc1)=N\S(=O)(=O)c1ccc(Cl)cc1 |t:8| Show InChI InChI=1S/C29H23Cl2N5O2S/c30-23-13-11-21(12-14-23)27-26(20-7-3-1-4-8-20)19-36(34-27)29(33-28(32)22-9-5-2-6-10-22)35-39(37,38)25-17-15-24(31)16-18-25/h1-18,26H,19H2,(H2,32,33,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463790 (US10787419, Serial # 8) Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(=N\S(=O)(=O)c1ccc(Cl)cc1)\C(=N)c1ccccc1 |t:8| Show InChI InChI=1S/C29H22Cl2N4O2S/c30-23-13-11-22(12-14-23)28-26(20-7-3-1-4-8-20)19-35(33-28)29(27(32)21-9-5-2-6-10-21)34-38(36,37)25-17-15-24(31)16-18-25/h1-18,26,32H,19H2/b32-27?,34-29+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463806 (US10787419, Serial # 18) Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(=N\S(=O)(=O)c1ccc(Cl)cc1)\C(=N)c1ccccn1 |t:8| Show InChI InChI=1S/C28H21Cl2N5O2S/c29-21-11-9-20(10-12-21)27-24(19-6-2-1-3-7-19)18-35(33-27)28(26(31)25-8-4-5-17-32-25)34-38(36,37)23-15-13-22(30)14-16-23/h1-17,24,31H,18H2/b31-26?,34-28+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463802 (US10787419, Serial # 14 | US10787419, Serial # 20) Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(=N\S(=O)(=O)c1ccc(Cl)cc1)\C(=N)c1ccc(Br)cc1 |t:8| Show InChI InChI=1S/C29H21BrCl2N4O2S/c30-22-10-6-20(7-11-22)27(33)29(35-39(37,38)25-16-14-24(32)15-17-25)36-18-26(19-4-2-1-3-5-19)28(34-36)21-8-12-23(31)13-9-21/h1-17,26,33H,18H2/b33-27?,35-29+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463787 (US10787419, Serial # 5) Show SMILES CC(C)C(=N)C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:21| Show InChI InChI=1S/C26H24Cl2N4O2S/c1-17(2)24(29)26(31-35(33,34)22-14-12-21(28)13-15-22)32-16-23(18-6-4-3-5-7-18)25(30-32)19-8-10-20(27)11-9-19/h3-15,17,23,29H,16H2,1-2H3/b29-24?,31-26+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463788 (US10787419, Serial # 6) Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(=N\S(=O)(=O)c1ccc(Cl)cc1)\C1NCCCC1=N |t:8| Show InChI InChI=1S/C27H25Cl2N5O2S/c28-20-10-8-19(9-11-20)25-23(18-5-2-1-3-6-18)17-34(32-25)27(26-24(30)7-4-16-31-26)33-37(35,36)22-14-12-21(29)13-15-22/h1-3,5-6,8-15,23,26,30-31H,4,7,16-17H2/b30-24?,33-27+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463766 (US10787419, Compound 73) Show SMILES NN\C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:18| Show InChI InChI=1S/C22H19Cl2N5O2S/c23-17-8-6-16(7-9-17)21-20(15-4-2-1-3-5-15)14-29(27-21)22(26-25)28-32(30,31)19-12-10-18(24)11-13-19/h1-13,20H,14,25H2,(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463873 (US10787419, Serial # 73) Show SMILES NC(=N)C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:19| Show InChI InChI=1S/C23H19Cl2N5O2S/c24-17-8-6-16(7-9-17)21-20(15-4-2-1-3-5-15)14-30(28-21)23(22(26)27)29-33(31,32)19-12-10-18(25)11-13-19/h1-13,20H,14H2,(H3,26,27)/b29-23+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463767 (US10787419, Compound 12) Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(\NC(=N)c1ccncc1)=N\S(=O)(=O)c1ccc(Cl)cc1 |t:8| Show InChI InChI=1S/C28H22Cl2N6O2S/c29-22-8-6-20(7-9-22)26-25(19-4-2-1-3-5-19)18-36(34-26)28(33-27(31)21-14-16-32-17-15-21)35-39(37,38)24-12-10-23(30)11-13-24/h1-17,25H,18H2,(H2,31,33,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463800 (US10787419, Serial # 12) Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(=N\S(=O)(=O)c1ccc(Cl)cc1)\C(=N)c1ccncc1 |t:8| Show InChI InChI=1S/C28H21Cl2N5O2S/c29-22-8-6-21(7-9-22)27-25(19-4-2-1-3-5-19)18-35(33-27)28(26(31)20-14-16-32-17-15-20)34-38(36,37)24-12-10-23(30)11-13-24/h1-17,25,31H,18H2/b31-26?,34-28+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463763 (US10787419, Compound 2E2) Show SMILES CC(=N)N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1C[C@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,c:20| Show InChI InChI=1S/C24H21Cl2N5O2S/c1-16(27)28-24(30-34(32,33)21-13-11-20(26)12-14-21)31-15-22(17-5-3-2-4-6-17)23(29-31)18-7-9-19(25)10-8-18/h2-14,22H,15H2,1H3,(H2,27,28,30)/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463829 (US10787419, Serial # 38) Show SMILES CCN(CC)C(=N)C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:23| Show InChI InChI=1S/C27H27Cl2N5O2S/c1-3-33(4-2)26(30)27(32-37(35,36)23-16-14-22(29)15-17-23)34-18-24(19-8-6-5-7-9-19)25(31-34)20-10-12-21(28)13-11-20/h5-17,24,30H,3-4,18H2,1-2H3/b30-26?,32-27+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463840 (US10787419, Serial # 46) Show SMILES CC(C)(C)NC(=N)C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:23| Show InChI InChI=1S/C27H27Cl2N5O2S/c1-27(2,3)31-25(30)26(33-37(35,36)22-15-13-21(29)14-16-22)34-17-23(18-7-5-4-6-8-18)24(32-34)19-9-11-20(28)12-10-19/h4-16,23H,17H2,1-3H3,(H2,30,31)/b33-26+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463802 (US10787419, Serial # 14 | US10787419, Serial # 20) Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(=N\S(=O)(=O)c1ccc(Cl)cc1)\C(=N)c1ccc(Br)cc1 |t:8| Show InChI InChI=1S/C29H21BrCl2N4O2S/c30-22-10-6-20(7-11-22)27(33)29(35-39(37,38)25-16-14-24(32)15-17-25)36-18-26(19-4-2-1-3-5-19)28(34-36)21-8-12-23(31)13-9-21/h1-17,26,33H,18H2/b33-27?,35-29+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463804 (US10787419, Serial # 16) Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(=N\S(=O)(=O)c1ccc(Cl)cc1)\C(=N)c1cccs1 |t:8| Show InChI InChI=1S/C27H20Cl2N4O2S2/c28-20-10-8-19(9-11-20)26-23(18-5-2-1-3-6-18)17-33(31-26)27(25(30)24-7-4-16-36-24)32-37(34,35)22-14-12-21(29)13-15-22/h1-16,23,30H,17H2/b30-25?,32-27+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463815 (US10787419, Serial # 27) Show SMILES CC(=N)C(=N/S(=O)(=O)c1ccc(F)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:19| Show InChI InChI=1S/C24H20ClFN4O2S/c1-16(27)24(29-33(31,32)21-13-11-20(26)12-14-21)30-15-22(17-5-3-2-4-6-17)23(28-30)18-7-9-19(25)10-8-18/h2-14,22,27H,15H2,1H3/b27-16?,29-24+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463791 (US10787419, Serial # 9) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=N)C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:28| Show InChI InChI=1S/C29H21Cl2N5O4S/c30-22-10-6-21(7-11-22)28-26(19-4-2-1-3-5-19)18-35(33-28)29(27(32)20-8-14-24(15-9-20)36(37)38)34-41(39,40)25-16-12-23(31)13-17-25/h1-17,26,32H,18H2/b32-27?,34-29+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463809 (US10787419, Serial # 21) Show SMILES CSC(=N)C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:20| Show InChI InChI=1S/C24H20Cl2N4O2S2/c1-33-23(27)24(29-34(31,32)20-13-11-19(26)12-14-20)30-15-21(16-5-3-2-4-6-16)22(28-30)17-7-9-18(25)10-8-17/h2-14,21,27H,15H2,1H3/b27-23?,29-24+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463810 (US10787419, Serial # 22) Show SMILES CCSC(=N)C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:21| Show InChI InChI=1S/C25H22Cl2N4O2S2/c1-2-34-24(28)25(30-35(32,33)21-14-12-20(27)13-15-21)31-16-22(17-6-4-3-5-7-17)23(29-31)18-8-10-19(26)11-9-18/h3-15,22,28H,2,16H2,1H3/b28-24?,30-25+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463801 (US10787419, Serial # 13) Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(=N\S(=O)(=O)c1ccc(Cl)cc1)\C(=N)COc1ccccc1 |t:8| Show InChI InChI=1S/C30H24Cl2N4O3S/c31-23-13-11-22(12-14-23)29-27(21-7-3-1-4-8-21)19-36(34-29)30(28(33)20-39-25-9-5-2-6-10-25)35-40(37,38)26-17-15-24(32)16-18-26/h1-18,27,33H,19-20H2/b33-28?,35-30+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM463805 (US10787419, Serial # 17) Show SMILES COc1cccc(c1)C(=N)C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:27| Show InChI InChI=1S/C30H24Cl2N4O3S/c1-39-25-9-5-8-22(18-25)28(33)30(35-40(37,38)26-16-14-24(32)15-17-26)36-19-27(20-6-3-2-4-7-20)29(34-36)21-10-12-23(31)13-11-21/h2-18,27,33H,19H2,1H3/b33-28?,35-30+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...				US Patent US10787419 (2020) BindingDB Entry DOI: 10.7270/Q2HH6P4S
					More data for this Ligand-Target Pair

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