Compile Data Set for Download or QSAR

Found 1372 hits with Last Name = 'bálint' and Initial = 'j'   

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
Nociceptin receptor (Homo sapiens (Human))	BDBM239934 (US9403767, 117) Show SMILES CN(C)C1(CCC(CC1)(N(C)C(=O)c1cccc(F)c1)c1ccccc1)c1ccccc1 |(-6.07,4.12,;-5.44,2.71,;-3.93,3.03,;-5.44,1.17,;-6.26,-.13,;-5.53,-1.49,;-3.99,-1.55,;-3.18,-.24,;-3.9,1.12,;-3.99,-3.09,;-3.37,-4.49,;-5.33,-3.86,;-6.66,-3.09,;-5.33,-5.4,;-6.66,-6.17,;-6.66,-7.71,;-5.33,-8.48,;-3.99,-7.71,;-2.66,-8.48,;-3.99,-6.17,;-2.72,-2.41,;-1.33,-1.73,;-.06,-2.6,;-.16,-4.13,;-1.55,-4.81,;-2.82,-3.95,;-6.72,2.03,;-8.1,1.36,;-9.38,2.22,;-9.27,3.76,;-7.88,4.43,;-6.61,3.57,)| Show InChI InChI=1S/C28H31FN2O/c1-30(2)27(23-12-6-4-7-13-23)17-19-28(20-18-27,24-14-8-5-9-15-24)31(3)26(32)22-11-10-16-25(29)21-22/h4-16,21H,17-20H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.130	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM239934 (US9403767, 117) Show SMILES CN(C)C1(CCC(CC1)(N(C)C(=O)c1cccc(F)c1)c1ccccc1)c1ccccc1 |(-6.07,4.12,;-5.44,2.71,;-3.93,3.03,;-5.44,1.17,;-6.26,-.13,;-5.53,-1.49,;-3.99,-1.55,;-3.18,-.24,;-3.9,1.12,;-3.99,-3.09,;-3.37,-4.49,;-5.33,-3.86,;-6.66,-3.09,;-5.33,-5.4,;-6.66,-6.17,;-6.66,-7.71,;-5.33,-8.48,;-3.99,-7.71,;-2.66,-8.48,;-3.99,-6.17,;-2.72,-2.41,;-1.33,-1.73,;-.06,-2.6,;-.16,-4.13,;-1.55,-4.81,;-2.82,-3.95,;-6.72,2.03,;-8.1,1.36,;-9.38,2.22,;-9.27,3.76,;-7.88,4.43,;-6.61,3.57,)| Show InChI InChI=1S/C28H31FN2O/c1-30(2)27(23-12-6-4-7-13-23)17-19-28(20-18-27,24-14-8-5-9-15-24)31(3)26(32)22-11-10-16-25(29)21-22/h4-16,21H,17-20H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.350	-54.0	n/a	n/a	n/a	n/a	n/a	n/a	25
GRUENENTHAL GMBH US Patent					Assay Description The affinity to the human μ-opiate receptor was determined in a homogeneous preparation in microtiter plates. For this, dilution series of the res...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM239911 (US9403767, 76 | US9403767, 77) Show SMILES CN(CC1(C)CCC(CC1)(N(C)C)c1ccccc1)c1c[nH]c2ccccc12 |(2.68,2.55,;1.65,1.41,;.14,1.73,;-.33,3.19,;-1.28,1.98,;-1.51,4.18,;-1.24,5.7,;.2,6.23,;1.38,5.24,;1.11,3.72,;1.15,7.44,;2.68,7.22,;1.52,8.93,;-.27,7.69,;-1.78,8.01,;-2.26,9.48,;-1.23,10.62,;.28,10.3,;.76,8.83,;2.13,-.06,;1.22,-1.3,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,)| Show InChI InChI=1S/C25H33N3/c1-24(19-28(4)23-18-26-22-13-9-8-12-21(22)23)14-16-25(17-15-24,27(2)3)20-10-6-5-7-11-20/h5-13,18,26H,14-17,19H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	-53.6	n/a	n/a	n/a	n/a	n/a	n/a	25
GRUENENTHAL GMBH US Patent					Assay Description The affinity to the human μ-opiate receptor was determined in a homogeneous preparation in microtiter plates. For this, dilution series of the res...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM239921 (US9403767, 99) Show SMILES CN(C)C1(CCC(CC1)(N(C)C(=O)c1cccc(c1)C(F)(F)F)c1ccccc1)c1ccccc1 |(-.18,-1.04,;1.33,-.77,;1.86,.68,;2.32,-1.95,;3.66,-2.72,;3.66,-4.26,;2.32,-5.03,;.99,-4.26,;.99,-2.72,;3.05,-6.39,;3.15,-7.93,;4.59,-6.44,;5.4,-5.14,;5.31,-7.8,;4.49,-9.11,;5.22,-10.47,;6.75,-10.52,;7.57,-9.22,;6.85,-7.86,;9.11,-9.27,;10.65,-9.32,;9.16,-7.73,;9.06,-10.81,;1.6,-6.39,;2.42,-7.7,;1.69,-9.06,;.15,-9.11,;-.66,-7.8,;.06,-6.44,;3.31,-.77,;2.79,.68,;3.78,1.86,;5.29,1.59,;5.82,.14,;4.83,-1.04,)| Show InChI InChI=1S/C29H31F3N2O/c1-33(2)27(23-12-6-4-7-13-23)17-19-28(20-18-27,24-14-8-5-9-15-24)34(3)26(35)22-11-10-16-25(21-22)29(30,31)32/h4-16,21H,17-20H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.540	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM239925 (US9403767, 104 | US9403767, 105) Show SMILES COc1ccc(cc1)C(=O)N(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(6.66,-13.19,;7.48,-11.88,;6.75,-10.52,;7.57,-9.22,;6.85,-7.86,;5.31,-7.8,;4.49,-9.11,;5.22,-10.47,;4.59,-6.44,;5.4,-5.14,;3.05,-6.39,;3.15,-7.93,;2.32,-5.03,;3.66,-4.26,;3.66,-2.72,;2.32,-1.95,;.99,-2.72,;.99,-4.26,;1.33,-.77,;-.18,-1.04,;1.86,.68,;3.31,-.77,;2.79,.68,;3.78,1.86,;5.29,1.59,;5.82,.14,;4.83,-1.04,;1.6,-6.39,;2.42,-7.7,;1.69,-9.06,;.15,-9.11,;-.66,-7.8,;.06,-6.44,)| Show InChI InChI=1S/C29H34N2O2/c1-30(2)28(24-11-7-5-8-12-24)19-21-29(22-20-28,25-13-9-6-10-14-25)31(3)27(32)23-15-17-26(33-4)18-16-23/h5-18H,19-22H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.650	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM239911 (US9403767, 76 | US9403767, 77) Show SMILES CN(CC1(C)CCC(CC1)(N(C)C)c1ccccc1)c1c[nH]c2ccccc12 |(2.68,2.55,;1.65,1.41,;.14,1.73,;-.33,3.19,;-1.28,1.98,;-1.51,4.18,;-1.24,5.7,;.2,6.23,;1.38,5.24,;1.11,3.72,;1.15,7.44,;2.68,7.22,;1.52,8.93,;-.27,7.69,;-1.78,8.01,;-2.26,9.48,;-1.23,10.62,;.28,10.3,;.76,8.83,;2.13,-.06,;1.22,-1.3,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,)| Show InChI InChI=1S/C25H33N3/c1-24(19-28(4)23-18-26-22-13-9-8-12-21(22)23)14-16-25(17-15-24,27(2)3)20-10-6-5-7-11-20/h5-13,18,26H,14-17,19H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.710	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM239914 (US9403767, 85) Show SMILES CN(C)C1(CCC(CC1)(N(C)Cc1cccnc1)c1ccccc1)c1ccccc1 |(-6.47,7.63,;-4.93,7.57,;-5.04,9.11,;-4.21,6.21,;-2.87,5.44,;-2.87,3.9,;-4.21,3.13,;-5.54,3.9,;-5.54,5.44,;-4.93,1.77,;-5.04,.24,;-6.47,1.72,;-7.19,.36,;-6.38,-.95,;-7.1,-2.31,;-8.64,-2.36,;-9.45,-1.05,;-8.73,.31,;-3.48,1.77,;-1.94,1.72,;-1.22,.36,;-2.04,-.95,;-3.58,-.89,;-4.3,.47,;-3.48,7.57,;-4.3,8.88,;-3.58,10.24,;-2.04,10.29,;-1.22,8.99,;-1.94,7.63,)| Show InChI InChI=1S/C27H33N3/c1-29(2)26(24-12-6-4-7-13-24)16-18-27(19-17-26,25-14-8-5-9-15-25)30(3)22-23-11-10-20-28-21-23/h4-15,20-21H,16-19,22H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.810	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM239867 (US9403767, 20 | US9403767, 21) Show SMILES CN(C)C1(CCC(CO)(CCCCc2ccccc2)CC1)c1ccccc1 |(-9.74,-7.83,;-8.41,-8.6,;-9.31,-9.84,;-7.07,-7.83,;-5.53,-7.88,;-4.72,-6.58,;-5.44,-5.22,;-5.33,-3.68,;-6.61,-2.82,;-4.11,-4.45,;-2.77,-5.22,;-1.44,-4.45,;-.11,-5.22,;1.23,-4.45,;1.23,-2.91,;2.56,-2.14,;3.9,-2.91,;3.9,-4.45,;2.56,-5.22,;-6.98,-5.16,;-7.8,-6.47,;-7.18,-9.36,;-5.9,-10.22,;-6.01,-11.76,;-7.39,-12.44,;-8.67,-11.58,;-8.56,-10.04,)| Show InChI InChI=1S/C25H35NO/c1-26(2)25(23-14-7-4-8-15-23)19-17-24(21-27,18-20-25)16-10-9-13-22-11-5-3-6-12-22/h3-8,11-12,14-15,27H,9-10,13,16-21H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	-51.1	n/a	n/a	n/a	n/a	n/a	n/a	25
GRUENENTHAL GMBH US Patent					Assay Description The affinity to the human μ-opiate receptor was determined in a homogeneous preparation in microtiter plates. For this, dilution series of the res...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM239925 (US9403767, 104 | US9403767, 105) Show SMILES COc1ccc(cc1)C(=O)N(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(6.66,-13.19,;7.48,-11.88,;6.75,-10.52,;7.57,-9.22,;6.85,-7.86,;5.31,-7.8,;4.49,-9.11,;5.22,-10.47,;4.59,-6.44,;5.4,-5.14,;3.05,-6.39,;3.15,-7.93,;2.32,-5.03,;3.66,-4.26,;3.66,-2.72,;2.32,-1.95,;.99,-2.72,;.99,-4.26,;1.33,-.77,;-.18,-1.04,;1.86,.68,;3.31,-.77,;2.79,.68,;3.78,1.86,;5.29,1.59,;5.82,.14,;4.83,-1.04,;1.6,-6.39,;2.42,-7.7,;1.69,-9.06,;.15,-9.11,;-.66,-7.8,;.06,-6.44,)| Show InChI InChI=1S/C29H34N2O2/c1-30(2)28(24-11-7-5-8-12-24)19-21-29(22-20-28,25-13-9-6-10-14-25)31(3)27(32)23-15-17-26(33-4)18-16-23/h5-18H,19-22H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.20	-50.9	n/a	n/a	n/a	n/a	n/a	n/a	25
GRUENENTHAL GMBH US Patent					Assay Description The affinity to the human μ-opiate receptor was determined in a homogeneous preparation in microtiter plates. For this, dilution series of the res...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM239921 (US9403767, 99) Show SMILES CN(C)C1(CCC(CC1)(N(C)C(=O)c1cccc(c1)C(F)(F)F)c1ccccc1)c1ccccc1 |(-.18,-1.04,;1.33,-.77,;1.86,.68,;2.32,-1.95,;3.66,-2.72,;3.66,-4.26,;2.32,-5.03,;.99,-4.26,;.99,-2.72,;3.05,-6.39,;3.15,-7.93,;4.59,-6.44,;5.4,-5.14,;5.31,-7.8,;4.49,-9.11,;5.22,-10.47,;6.75,-10.52,;7.57,-9.22,;6.85,-7.86,;9.11,-9.27,;10.65,-9.32,;9.16,-7.73,;9.06,-10.81,;1.6,-6.39,;2.42,-7.7,;1.69,-9.06,;.15,-9.11,;-.66,-7.8,;.06,-6.44,;3.31,-.77,;2.79,.68,;3.78,1.86,;5.29,1.59,;5.82,.14,;4.83,-1.04,)| Show InChI InChI=1S/C29H31F3N2O/c1-33(2)27(23-12-6-4-7-13-23)17-19-28(20-18-27,24-14-8-5-9-15-24)34(3)26(35)22-11-10-16-25(21-22)29(30,31)32/h4-16,21H,17-20H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.20	-50.9	n/a	n/a	n/a	n/a	n/a	n/a	25
GRUENENTHAL GMBH US Patent					Assay Description The affinity to the human μ-opiate receptor was determined in a homogeneous preparation in microtiter plates. For this, dilution series of the res...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM239887 (US9403767, 45) Show SMILES CN(C)C1(CCC(C)(CNS(=O)(=O)\C=C\c2ccccc2)CC1)c1cccc(F)c1 |(14.7,-7.6,;15.38,-6.21,;16.68,-7.03,;14.51,-4.94,;14.46,-3.4,;13.1,-2.67,;11.8,-3.49,;10.93,-2.21,;10.26,-3.49,;9.49,-4.82,;7.95,-4.82,;7.95,-3.28,;6.41,-4.82,;7.95,-6.36,;6.61,-7.13,;6.61,-8.67,;7.95,-9.44,;7.95,-10.98,;6.61,-11.75,;5.28,-10.98,;5.28,-9.44,;11.85,-5.03,;13.21,-5.75,;16.05,-4.94,;16.82,-6.27,;18.36,-6.27,;19.13,-4.94,;18.36,-3.6,;19.13,-2.27,;16.82,-3.6,)| Show InChI InChI=1S/C24H31FN2O2S/c1-23(19-26-30(28,29)17-12-20-8-5-4-6-9-20)13-15-24(16-14-23,27(2)3)21-10-7-11-22(25)18-21/h4-12,17-18,26H,13-16,19H2,1-3H3/b17-12+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.24	-50.8	n/a	n/a	n/a	n/a	n/a	n/a	25
GRUENENTHAL GMBH US Patent					Assay Description The affinity to the human μ-opiate receptor was determined in a homogeneous preparation in microtiter plates. For this, dilution series of the res...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM239865 (US9403767, 18) Show SMILES CN(C)C1(CCC(C)(CNS(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 |(4.12,-11.51,;4.65,-10.06,;6.16,-9.79,;3.66,-8.88,;4.99,-8.11,;4.99,-6.57,;3.66,-5.8,;2.67,-4.62,;4.65,-4.62,;4.12,-3.17,;5.11,-1.99,;3.93,-1,;6.29,-2.98,;6.1,-.81,;5.57,.63,;6.56,1.81,;8.08,1.55,;9.07,2.73,;8.61,.1,;7.62,-1.08,;2.32,-6.57,;2.32,-8.11,;2.67,-10.06,;3.19,-11.51,;2.2,-12.69,;.69,-12.42,;.16,-10.97,;1.15,-9.79,)| Show InChI InChI=1S/C22H29ClN2O2S/c1-21(17-24-28(26,27)20-11-9-19(23)10-12-20)13-15-22(16-14-21,25(2)3)18-7-5-4-6-8-18/h4-12,24H,13-17H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.25	-50.8	n/a	n/a	n/a	n/a	n/a	n/a	25
GRUENENTHAL GMBH US Patent					Assay Description The affinity to the human μ-opiate receptor was determined in a homogeneous preparation in microtiter plates. For this, dilution series of the res...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM239892 (US9403767, 50 | US9403767, 51) Show SMILES CN(C)C1(CCC(CC1)(N(C)Cc1ccccc1)c1ccccc1)c1ccccc1 |(4.21,-3.03,;2.67,-3.08,;2.77,-1.54,;1.94,-4.44,;.61,-5.21,;.61,-6.75,;1.94,-7.52,;3.28,-6.75,;3.28,-5.21,;2.67,-8.88,;2.77,-10.42,;4.21,-8.93,;4.93,-10.29,;6.47,-10.35,;7.19,-11.71,;6.38,-13.01,;4.84,-12.96,;4.11,-11.6,;1.22,-8.88,;2.04,-10.19,;1.31,-11.55,;-.22,-11.6,;-1.04,-10.29,;-.32,-8.93,;1.22,-3.08,;-.32,-3.03,;-1.04,-1.67,;-.22,-.36,;1.31,-.41,;2.04,-1.77,)| Show InChI InChI=1S/C28H34N2/c1-29(2)27(25-15-9-5-10-16-25)19-21-28(22-20-27,26-17-11-6-12-18-26)30(3)23-24-13-7-4-8-14-24/h4-18H,19-23H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.28	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM239935 (US9403767, 119) Show SMILES CN(C)C1(CCC(CC1)(N(C)Cc1cccc(F)c1)c1ccccc1)c1ccccc1 |(-4.11,3.48,;-5.44,2.71,;-6.07,4.12,;-5.44,1.17,;-6.26,-.13,;-5.53,-1.49,;-3.99,-1.55,;-3.18,-.24,;-3.9,1.12,;-3.99,-3.09,;-3.37,-4.49,;-5.33,-3.86,;-5.33,-5.4,;-6.66,-6.17,;-6.66,-7.71,;-5.33,-8.48,;-3.99,-7.71,;-2.66,-8.48,;-3.99,-6.17,;-2.72,-2.41,;-1.33,-1.73,;-.06,-2.6,;-.16,-4.13,;-1.55,-4.81,;-2.82,-3.95,;-6.72,2.03,;-8.1,1.36,;-9.38,2.22,;-9.27,3.76,;-7.88,4.43,;-6.61,3.57,)| Show InChI InChI=1S/C28H33FN2/c1-30(2)27(24-12-6-4-7-13-24)17-19-28(20-18-27,25-14-8-5-9-15-25)31(3)22-23-11-10-16-26(29)21-23/h4-16,21H,17-20,22H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.43	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM239873 (US9403767, 29 | US9403767, 30) Show SMILES CN(C)C1(CCC(CC1)(N(C)C(=O)NCc1ccccc1)c1ccccc1)c1ccccc1 |(1.02,-11.24,;2.56,-11.19,;2.45,-12.73,;3.28,-9.83,;4.61,-9.06,;4.61,-7.52,;3.28,-6.75,;1.94,-7.52,;1.94,-9.06,;2.56,-5.39,;2.45,-3.85,;1.02,-5.34,;.2,-6.64,;.29,-3.98,;-1.25,-3.92,;-1.97,-2.56,;-3.51,-2.51,;-4.23,-1.15,;-3.42,.16,;-1.88,.1,;-1.15,-1.26,;4,-5.39,;3.18,-4.08,;3.91,-2.72,;5.45,-2.67,;6.26,-3.98,;5.54,-5.34,;4,-11.19,;5.54,-11.24,;6.26,-12.6,;5.45,-13.91,;3.91,-13.86,;3.18,-12.5,)| Show InChI InChI=1S/C29H35N3O/c1-31(2)28(25-15-9-5-10-16-25)19-21-29(22-20-28,26-17-11-6-12-18-26)32(3)27(33)30-23-24-13-7-4-8-14-24/h4-18H,19-23H2,1-3H3,(H,30,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.5	-50.4	n/a	n/a	n/a	n/a	n/a	n/a	25
GRUENENTHAL GMBH US Patent					Assay Description The affinity to the human μ-opiate receptor was determined in a homogeneous preparation in microtiter plates. For this, dilution series of the res...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM239890 (US9403767, 48 | US9403767, 49) Show SMILES CCCCN(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(8,-1.35,;6.66,-2.12,;5.33,-1.35,;3.99,-2.12,;2.66,-1.35,;3.57,-.11,;1.33,-2.12,;-.21,-2.07,;-1.03,-3.38,;-.31,-4.74,;1.23,-4.79,;2.05,-3.48,;-.41,-6.27,;.86,-7.13,;-1.14,-7.63,;-1.64,-5.51,;-1.64,-7.05,;-2.97,-7.82,;-4.31,-7.05,;-4.31,-5.51,;-2.97,-4.74,;1.43,-.59,;.16,.27,;.27,1.81,;1.65,2.48,;2.93,1.62,;2.82,.09,)| Show InChI InChI=1S/C25H36N2/c1-5-6-21-27(4)25(23-15-11-8-12-16-23)19-17-24(18-20-25,26(2)3)22-13-9-7-10-14-22/h7-16H,5-6,17-21H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.55	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM239873 (US9403767, 29 | US9403767, 30) Show SMILES CN(C)C1(CCC(CC1)(N(C)C(=O)NCc1ccccc1)c1ccccc1)c1ccccc1 |(1.02,-11.24,;2.56,-11.19,;2.45,-12.73,;3.28,-9.83,;4.61,-9.06,;4.61,-7.52,;3.28,-6.75,;1.94,-7.52,;1.94,-9.06,;2.56,-5.39,;2.45,-3.85,;1.02,-5.34,;.2,-6.64,;.29,-3.98,;-1.25,-3.92,;-1.97,-2.56,;-3.51,-2.51,;-4.23,-1.15,;-3.42,.16,;-1.88,.1,;-1.15,-1.26,;4,-5.39,;3.18,-4.08,;3.91,-2.72,;5.45,-2.67,;6.26,-3.98,;5.54,-5.34,;4,-11.19,;5.54,-11.24,;6.26,-12.6,;5.45,-13.91,;3.91,-13.86,;3.18,-12.5,)| Show InChI InChI=1S/C29H35N3O/c1-31(2)28(25-15-9-5-10-16-25)19-21-29(22-20-28,26-17-11-6-12-18-26)32(3)27(33)30-23-24-13-7-4-8-14-24/h4-18H,19-23H2,1-3H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM239884 (US9403767, 42) Show SMILES CN(C)C1(CCC(C)(CNC(=O)\C=C\c2ccccc2)CC1)c1cccc(F)c1 |(12.46,-4.05,;12.35,-2.52,;13.89,-2.57,;10.97,-1.84,;10.15,-.54,;8.61,-.59,;7.89,-1.95,;6.51,-1.27,;6.56,-2.72,;6.56,-4.26,;7.89,-5.03,;9.22,-4.26,;7.89,-6.57,;6.56,-7.34,;6.56,-8.88,;7.89,-9.65,;7.89,-11.19,;6.56,-11.96,;5.22,-11.19,;5.22,-9.65,;8.71,-3.26,;10.24,-3.2,;12.3,-1.07,;13.64,-1.84,;14.97,-1.07,;14.97,.47,;13.64,1.24,;13.64,2.78,;12.3,.47,)| Show InChI InChI=1S/C25H31FN2O/c1-24(19-27-23(29)13-12-20-8-5-4-6-9-20)14-16-25(17-15-24,28(2)3)21-10-7-11-22(26)18-21/h4-13,18H,14-17,19H2,1-3H3,(H,27,29)/b13-12+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.80	-49.9	n/a	n/a	n/a	n/a	n/a	n/a	25
GRUENENTHAL GMBH US Patent					Assay Description The affinity to the human μ-opiate receptor was determined in a homogeneous preparation in microtiter plates. For this, dilution series of the res...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM239873 (US9403767, 29 | US9403767, 30) Show SMILES CN(C)C1(CCC(CC1)(N(C)C(=O)NCc1ccccc1)c1ccccc1)c1ccccc1 |(1.02,-11.24,;2.56,-11.19,;2.45,-12.73,;3.28,-9.83,;4.61,-9.06,;4.61,-7.52,;3.28,-6.75,;1.94,-7.52,;1.94,-9.06,;2.56,-5.39,;2.45,-3.85,;1.02,-5.34,;.2,-6.64,;.29,-3.98,;-1.25,-3.92,;-1.97,-2.56,;-3.51,-2.51,;-4.23,-1.15,;-3.42,.16,;-1.88,.1,;-1.15,-1.26,;4,-5.39,;3.18,-4.08,;3.91,-2.72,;5.45,-2.67,;6.26,-3.98,;5.54,-5.34,;4,-11.19,;5.54,-11.24,;6.26,-12.6,;5.45,-13.91,;3.91,-13.86,;3.18,-12.5,)| Show InChI InChI=1S/C29H35N3O/c1-31(2)28(25-15-9-5-10-16-25)19-21-29(22-20-28,26-17-11-6-12-18-26)32(3)27(33)30-23-24-13-7-4-8-14-24/h4-18H,19-23H2,1-3H3,(H,30,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.20	-49.4	n/a	n/a	n/a	n/a	n/a	n/a	25
GRUENENTHAL GMBH US Patent					Assay Description The affinity to the human μ-opiate receptor was determined in a homogeneous preparation in microtiter plates. For this, dilution series of the res...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM239923 (US9403767, 101 | US9403767, 102) Show SMILES CN(C)C1(CCC(CC1)(N(C)Cc1ccn(C)n1)c1ccccc1)c1ccccc1 |(-.13,-15.77,;.49,-14.36,;1.83,-15.13,;-.41,-13.12,;-.52,-11.58,;-1.91,-10.91,;-3.18,-11.77,;-3.07,-13.3,;-1.69,-13.98,;-4.09,-10.52,;-5.42,-9.75,;-3.46,-9.11,;-4.37,-7.87,;-5.91,-7.87,;-6.38,-6.4,;-5.14,-5.5,;-5.14,-3.96,;-3.89,-6.4,;-4.72,-11.82,;-5.44,-13.18,;-6.98,-13.23,;-7.8,-11.93,;-7.08,-10.57,;-5.54,-10.52,;1.13,-13.06,;1.85,-11.7,;3.39,-11.65,;4.2,-12.96,;3.48,-14.32,;1.94,-14.37,)| Show InChI InChI=1S/C26H34N4/c1-28(2)25(22-11-7-5-8-12-22)16-18-26(19-17-25,23-13-9-6-10-14-23)29(3)21-24-15-20-30(4)27-24/h5-15,20H,16-19,21H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.45	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM239865 (US9403767, 18) Show SMILES CN(C)C1(CCC(C)(CNS(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 |(4.12,-11.51,;4.65,-10.06,;6.16,-9.79,;3.66,-8.88,;4.99,-8.11,;4.99,-6.57,;3.66,-5.8,;2.67,-4.62,;4.65,-4.62,;4.12,-3.17,;5.11,-1.99,;3.93,-1,;6.29,-2.98,;6.1,-.81,;5.57,.63,;6.56,1.81,;8.08,1.55,;9.07,2.73,;8.61,.1,;7.62,-1.08,;2.32,-6.57,;2.32,-8.11,;2.67,-10.06,;3.19,-11.51,;2.2,-12.69,;.69,-12.42,;.16,-10.97,;1.15,-9.79,)| Show InChI InChI=1S/C22H29ClN2O2S/c1-21(17-24-28(26,27)20-11-9-19(23)10-12-20)13-15-22(16-14-21,25(2)3)18-7-5-4-6-8-18/h4-12,24H,13-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.70	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM239947 (US9403767, C-2) Show SMILES CN(C)C1(CCC(O)(CC1)c1ccccc1)c1ccc(C)cc1 |(-.18,-1.04,;1.33,-.77,;1.86,.68,;2.32,-1.95,;3.66,-2.72,;3.66,-4.26,;2.32,-5.03,;3.05,-6.39,;.99,-4.26,;.99,-2.72,;1.6,-6.39,;2.42,-7.7,;1.69,-9.06,;.15,-9.11,;-.66,-7.8,;.06,-6.44,;3.31,-.77,;2.79,.68,;3.78,1.86,;5.29,1.59,;6.28,2.77,;5.82,.14,;4.83,-1.04,)| Show InChI InChI=1S/C21H27NO/c1-17-9-11-18(12-10-17)20(22(2)3)13-15-21(23,16-14-20)19-7-5-4-6-8-19/h4-12,23H,13-16H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	-48.6	n/a	n/a	n/a	n/a	n/a	n/a	25
GRUENENTHAL GMBH US Patent					Assay Description The affinity to the human μ-opiate receptor was determined in a homogeneous preparation in microtiter plates. For this, dilution series of the res...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM239869 (US9403767, 24 | US9403767, 27) Show SMILES CN(C)C1(CCC(CC1)(N(C)C(=O)\C=C\c1ccccc1)c1ccccc1)c1ccccc1 |(-5.43,5.61,;-6.77,4.84,;-7.39,6.24,;-6.77,3.3,;-7.58,1.99,;-6.86,.63,;-5.32,.58,;-4.5,1.88,;-5.23,3.24,;-5.32,-.96,;-4.69,-2.37,;-6.65,-1.73,;-7.99,-.96,;-6.65,-3.27,;-7.99,-4.04,;-7.99,-5.58,;-6.65,-6.35,;-6.65,-7.89,;-7.99,-8.66,;-9.32,-7.89,;-9.32,-6.35,;-4.04,-.29,;-2.66,.39,;-1.38,-.47,;-1.49,-2.01,;-2.87,-2.68,;-4.15,-1.82,;-8.04,4.16,;-9.43,3.48,;-10.7,4.34,;-10.6,5.88,;-9.21,6.55,;-7.94,5.69,)| Show InChI InChI=1S/C30H34N2O/c1-31(2)29(26-15-9-5-10-16-26)21-23-30(24-22-29,27-17-11-6-12-18-27)32(3)28(33)20-19-25-13-7-4-8-14-25/h4-20H,21-24H2,1-3H3/b20-19+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.90	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM239901 (US9403767, 64 | US9403767, 65) Show SMILES CN(C)C1(CC2CCCC2)CCC(CC1)(N(C)C(=O)\C=C\c1ccccc1)c1ccccc1 |(6.46,1.19,;6.57,-.35,;5.29,-1.21,;7.95,-1.02,;6.62,-1.79,;6.62,-3.33,;7.86,-4.24,;7.39,-5.7,;5.85,-5.7,;5.37,-4.24,;8.77,-2.33,;10.31,-2.27,;11.03,-.91,;10.21,.39,;8.67,.34,;12.36,-.14,;13.89,.02,;12.36,1.4,;13.7,2.17,;11.03,2.17,;11.03,3.71,;9.7,4.48,;8.36,3.71,;7.03,4.48,;7.03,6.02,;8.36,6.79,;9.7,6.02,;12.41,-1.59,;13.69,-.73,;15.07,-1.4,;15.18,-2.94,;13.91,-3.8,;12.52,-3.13,)| Show InChI InChI=1S/C30H40N2O/c1-31(2)29(24-26-14-10-11-15-26)20-22-30(23-21-29,27-16-8-5-9-17-27)32(3)28(33)19-18-25-12-6-4-7-13-25/h4-9,12-13,16-19,26H,10-11,14-15,20-24H2,1-3H3/b19-18+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.30	-47.2	n/a	n/a	n/a	n/a	n/a	n/a	25
GRUENENTHAL GMBH US Patent					Assay Description The affinity to the human μ-opiate receptor was determined in a homogeneous preparation in microtiter plates. For this, dilution series of the res...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM239917 (US9403767, 91) Show SMILES CNc1nc(Oc2ccc(OC)cc2)nc(n1)N(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(2.16,-6.79,;1.44,-8.15,;2.26,-9.46,;1.53,-10.81,;2.35,-12.12,;1.63,-13.48,;.09,-13.53,;-.64,-14.89,;-2.17,-14.95,;-2.99,-13.64,;-4.53,-13.7,;-5.25,-15.06,;-2.27,-12.28,;-.73,-12.23,;3.89,-12.07,;4.61,-10.71,;3.8,-9.4,;6.15,-10.65,;6.04,-12.19,;6.87,-9.29,;8.21,-8.52,;8.21,-6.98,;6.87,-6.21,;5.54,-6.98,;5.54,-8.52,;6.15,-4.85,;4.61,-4.8,;6.04,-3.32,;7.6,-4.85,;6.78,-3.55,;7.5,-2.19,;9.04,-2.13,;9.86,-3.44,;9.14,-4.8,;7.6,-10.65,;9.14,-10.71,;9.86,-12.07,;9.04,-13.37,;7.5,-13.32,;6.78,-11.96,)| Show InChI InChI=1S/C32H38N6O2/c1-33-28-34-29(36-30(35-28)40-27-18-16-26(39-5)17-19-27)38(4)32(25-14-10-7-11-15-25)22-20-31(21-23-32,37(2)3)24-12-8-6-9-13-24/h6-19H,20-23H2,1-5H3,(H,33,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.35	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM239861 (US9403767, 11) Show SMILES CN(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(-.18,-1.04,;1.33,-.77,;1.86,.68,;2.32,-1.95,;3.66,-2.72,;3.66,-4.26,;2.32,-5.03,;.99,-4.26,;.99,-2.72,;3.05,-6.39,;3.15,-7.93,;4.59,-6.44,;1.6,-6.39,;2.42,-7.7,;1.69,-9.06,;.15,-9.11,;-.66,-7.8,;.06,-6.44,;3.31,-.77,;2.79,.68,;3.78,1.86,;5.29,1.59,;5.82,.14,;4.83,-1.04,)| Show InChI InChI=1S/C22H30N2/c1-23(2)21(19-11-7-5-8-12-19)15-17-22(18-16-21,24(3)4)20-13-9-6-10-14-20/h5-14H,15-18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM239918 (US9403767, 92 | US9403767, 93) Show SMILES CN(C)C1(CCC(CC1)(N(C)C(=O)c1ccn(C)n1)c1ccccc1)c1ccccc1 |(6.92,4.5,;8.39,4.02,;9.53,5.05,;8.71,2.51,;9.53,1.21,;8.8,-.15,;7.26,-.21,;6.45,1.1,;7.17,2.46,;7.26,-1.75,;6.64,-3.15,;8.6,-2.52,;9.93,-1.75,;8.6,-4.06,;7.35,-4.96,;7.83,-6.43,;9.37,-6.43,;10.27,-7.67,;9.84,-4.96,;5.99,-1.07,;6.09,-2.6,;4.82,-3.46,;3.43,-2.79,;3.33,-1.25,;4.6,-.39,;10.14,3.09,;10.35,4.62,;11.78,5.19,;12.99,4.24,;12.78,2.72,;11.35,2.14,)| Show InChI InChI=1S/C26H32N4O/c1-28(2)25(21-11-7-5-8-12-21)16-18-26(19-17-25,22-13-9-6-10-14-22)30(4)24(31)23-15-20-29(3)27-23/h5-15,20H,16-19H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.35	-46.8	n/a	n/a	n/a	n/a	n/a	n/a	25
GRUENENTHAL GMBH US Patent					Assay Description The affinity to the human μ-opiate receptor was determined in a homogeneous preparation in microtiter plates. For this, dilution series of the res...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM239900 (US9403767, 63) Show SMILES CN(C)C1(CC2CCCC2)CCC(CC1)(N(C)C)c1ccccc1 |(-2.61,.68,;-4.13,.95,;-4.66,2.4,;-5.12,-.23,;-3.79,-1,;-3.79,-2.54,;-2.54,-3.45,;-3.02,-4.91,;-4.56,-4.91,;-5.03,-3.45,;-5.65,-1.68,;-7.16,-1.95,;-8.15,-.77,;-7.63,.68,;-6.11,.95,;-9.62,-.29,;-9.94,1.22,;-11.15,-.45,;-9.37,-1.71,;-9.15,-3.24,;-10.37,-4.19,;-11.79,-3.61,;-12.01,-2.09,;-10.79,-1.14,)| Show InChI InChI=1S/C22H36N2/c1-23(2)21(18-19-10-8-9-11-19)14-16-22(17-15-21,24(3)4)20-12-6-5-7-13-20/h5-7,12-13,19H,8-11,14-18H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.60	-46.7	n/a	n/a	n/a	n/a	n/a	n/a	25
GRUENENTHAL GMBH US Patent					Assay Description The affinity to the human μ-opiate receptor was determined in a homogeneous preparation in microtiter plates. For this, dilution series of the res...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM239938 (US9403767, 122) Show SMILES CNC(=O)CN(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(-6.72,-6.08,;-5.38,-5.31,;-4.05,-6.08,;-4.05,-7.62,;-2.72,-5.31,;-1.38,-6.08,;-2.29,-7.32,;-.05,-5.31,;-.77,-3.95,;.04,-2.64,;1.58,-2.69,;2.31,-4.05,;1.49,-5.36,;2.92,-1.92,;4.25,-2.69,;3.82,-.68,;1.69,-1.16,;.41,-.3,;.52,1.24,;1.91,1.91,;3.18,1.05,;3.07,-.48,;-.16,-6.84,;1.12,-7.7,;1.01,-9.24,;-.37,-9.92,;-1.65,-9.05,;-1.54,-7.52,)| Show InChI InChI=1S/C24H33N3O/c1-25-22(28)19-27(4)24(21-13-9-6-10-14-21)17-15-23(16-18-24,26(2)3)20-11-7-5-8-12-20/h5-14H,15-19H2,1-4H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.40	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM239869 (US9403767, 24 | US9403767, 27) Show SMILES CN(C)C1(CCC(CC1)(N(C)C(=O)\C=C\c1ccccc1)c1ccccc1)c1ccccc1 |(-5.43,5.61,;-6.77,4.84,;-7.39,6.24,;-6.77,3.3,;-7.58,1.99,;-6.86,.63,;-5.32,.58,;-4.5,1.88,;-5.23,3.24,;-5.32,-.96,;-4.69,-2.37,;-6.65,-1.73,;-7.99,-.96,;-6.65,-3.27,;-7.99,-4.04,;-7.99,-5.58,;-6.65,-6.35,;-6.65,-7.89,;-7.99,-8.66,;-9.32,-7.89,;-9.32,-6.35,;-4.04,-.29,;-2.66,.39,;-1.38,-.47,;-1.49,-2.01,;-2.87,-2.68,;-4.15,-1.82,;-8.04,4.16,;-9.43,3.48,;-10.7,4.34,;-10.6,5.88,;-9.21,6.55,;-7.94,5.69,)| Show InChI InChI=1S/C30H34N2O/c1-31(2)29(26-15-9-5-10-16-26)21-23-30(24-22-29,27-17-11-6-12-18-27)32(3)28(33)20-19-25-13-7-4-8-14-25/h4-20H,21-24H2,1-3H3/b20-19+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.05	-46.2	n/a	n/a	n/a	n/a	n/a	n/a	25
GRUENENTHAL GMBH US Patent					Assay Description The affinity to the human μ-opiate receptor was determined in a homogeneous preparation in microtiter plates. For this, dilution series of the res...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM239894 (US9403767, 52) Show SMILES CN(C)C1(CCC(CC1)(N(C)C(=O)C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 |(-13.9,3.85,;-13.9,2.31,;-15.43,2.47,;-12.56,1.54,;-11.84,.18,;-10.3,.13,;-9.49,1.43,;-10.21,2.79,;-11.75,2.85,;-8.15,.66,;-6.62,.5,;-8.15,-.88,;-9.49,-1.65,;-6.82,-1.65,;-6.82,-3.19,;-5.48,-3.96,;-5.48,-5.5,;-6.82,-6.27,;-8.15,-5.5,;-8.15,-3.96,;-5.48,-.88,;-5.48,.66,;-4.15,1.43,;-2.82,.66,;-2.82,-.88,;-4.15,-1.65,;-8.1,2.11,;-7.99,3.64,;-6.61,4.32,;-5.33,3.46,;-5.44,1.92,;-6.82,1.25,;-13.95,.87,;-14.06,-.67,;-15.44,-1.35,;-16.72,-.48,;-16.61,1.05,;-15.22,1.73,)| Show InChI InChI=1S/C35H38N2O/c1-36(2)34(30-20-12-6-13-21-30)24-26-35(27-25-34,31-22-14-7-15-23-31)37(3)33(38)32(28-16-8-4-9-17-28)29-18-10-5-11-19-29/h4-23,32H,24-27H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM239925 (US9403767, 104 | US9403767, 105) Show SMILES COc1ccc(cc1)C(=O)N(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(6.66,-13.19,;7.48,-11.88,;6.75,-10.52,;7.57,-9.22,;6.85,-7.86,;5.31,-7.8,;4.49,-9.11,;5.22,-10.47,;4.59,-6.44,;5.4,-5.14,;3.05,-6.39,;3.15,-7.93,;2.32,-5.03,;3.66,-4.26,;3.66,-2.72,;2.32,-1.95,;.99,-2.72,;.99,-4.26,;1.33,-.77,;-.18,-1.04,;1.86,.68,;3.31,-.77,;2.79,.68,;3.78,1.86,;5.29,1.59,;5.82,.14,;4.83,-1.04,;1.6,-6.39,;2.42,-7.7,;1.69,-9.06,;.15,-9.11,;-.66,-7.8,;.06,-6.44,)| Show InChI InChI=1S/C29H34N2O2/c1-30(2)28(24-11-7-5-8-12-24)19-21-29(22-20-28,25-13-9-6-10-14-25)31(3)27(32)23-15-17-26(33-4)18-16-23/h5-18H,19-22H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	-45.7	n/a	n/a	n/a	n/a	n/a	n/a	25
GRUENENTHAL GMBH US Patent					Assay Description The affinity to the human μ-opiate receptor was determined in a homogeneous preparation in microtiter plates. For this, dilution series of the res...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM239867 (US9403767, 20 | US9403767, 21) Show SMILES CN(C)C1(CCC(CO)(CCCCc2ccccc2)CC1)c1ccccc1 |(-9.74,-7.83,;-8.41,-8.6,;-9.31,-9.84,;-7.07,-7.83,;-5.53,-7.88,;-4.72,-6.58,;-5.44,-5.22,;-5.33,-3.68,;-6.61,-2.82,;-4.11,-4.45,;-2.77,-5.22,;-1.44,-4.45,;-.11,-5.22,;1.23,-4.45,;1.23,-2.91,;2.56,-2.14,;3.9,-2.91,;3.9,-4.45,;2.56,-5.22,;-6.98,-5.16,;-7.8,-6.47,;-7.18,-9.36,;-5.9,-10.22,;-6.01,-11.76,;-7.39,-12.44,;-8.67,-11.58,;-8.56,-10.04,)| Show InChI InChI=1S/C25H35NO/c1-26(2)25(23-14-7-4-8-15-23)19-17-24(21-27,18-20-25)16-10-9-13-22-11-5-3-6-12-22/h3-8,11-12,14-15,27H,9-10,13,16-21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM239886 (US9403767, 44) Show SMILES CN(C)C1(CCC(C)(CNS(=O)(=O)\C=C\c2ccccc2)CC1)c1cccc(F)c1 |(-.18,-1.04,;1.33,-.77,;1.86,.68,;2.32,-1.95,;3.66,-2.72,;3.66,-4.26,;2.32,-5.03,;3.05,-6.39,;1.6,-6.39,;2.42,-7.7,;1.69,-9.06,;3.05,-9.78,;.33,-8.33,;.97,-10.41,;-.57,-10.47,;-1.29,-11.83,;-.48,-13.13,;-1.2,-14.49,;-2.74,-14.55,;-3.55,-13.24,;-2.83,-11.88,;.99,-4.26,;.99,-2.72,;3.31,-.77,;4.83,-1.04,;5.82,.14,;5.29,1.59,;3.78,1.86,;3.25,3.3,;2.79,.68,)| Show InChI InChI=1S/C24H31FN2O2S/c1-23(19-26-30(28,29)17-12-20-8-5-4-6-9-20)13-15-24(16-14-23,27(2)3)21-10-7-11-22(25)18-21/h4-12,17-18,26H,13-16,19H2,1-3H3/b17-12+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13.3	-44.9	n/a	n/a	n/a	n/a	n/a	n/a	25
GRUENENTHAL GMBH US Patent					Assay Description The affinity to the human μ-opiate receptor was determined in a homogeneous preparation in microtiter plates. For this, dilution series of the res...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM239931 (US9403767, 114) Show SMILES CN(C)C1(CCC(CC1)(N(C)Cc1cccc(c1)C(F)(F)F)c1ccccc1)c1ccccc1 |(-4.11,3.48,;-5.44,2.71,;-6.07,4.12,;-5.44,1.17,;-6.26,-.13,;-5.53,-1.49,;-3.99,-1.55,;-3.18,-.24,;-3.9,1.12,;-3.99,-3.09,;-3.37,-4.49,;-5.33,-3.86,;-5.33,-5.4,;-6.66,-6.17,;-6.66,-7.71,;-5.33,-8.48,;-3.99,-7.71,;-3.99,-6.17,;-2.66,-8.48,;-1.33,-9.25,;-1.89,-7.14,;-3.43,-9.81,;-2.72,-2.41,;-1.33,-1.73,;-.06,-2.6,;-.16,-4.13,;-1.55,-4.81,;-2.82,-3.95,;-6.72,2.03,;-8.1,1.36,;-9.38,2.22,;-9.27,3.76,;-7.88,4.43,;-6.61,3.57,)| Show InChI InChI=1S/C29H33F3N2/c1-33(2)27(24-12-6-4-7-13-24)17-19-28(20-18-27,25-14-8-5-9-15-25)34(3)22-23-11-10-16-26(21-23)29(30,31)32/h4-16,21H,17-20,22H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13.8	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM239933 (US9403767, 116) Show SMILES CN(C)C1(CCC(CC1)(N(C)C(=O)c1cccc(F)c1)c1ccccc1)c1ccccc1 |(-4.11,3.48,;-5.44,2.71,;-6.07,4.12,;-5.44,1.17,;-6.26,-.13,;-5.53,-1.49,;-3.99,-1.55,;-3.18,-.24,;-3.9,1.12,;-3.99,-3.09,;-3.37,-4.49,;-5.33,-3.86,;-6.66,-3.09,;-5.33,-5.4,;-6.66,-6.17,;-6.66,-7.71,;-5.33,-8.48,;-3.99,-7.71,;-2.66,-8.48,;-3.99,-6.17,;-2.72,-2.41,;-1.33,-1.73,;-.06,-2.6,;-.16,-4.13,;-1.55,-4.81,;-2.82,-3.95,;-6.72,2.03,;-8.1,1.36,;-9.38,2.22,;-9.27,3.76,;-7.88,4.43,;-6.61,3.57,)| Show InChI InChI=1S/C28H31FN2O/c1-30(2)27(23-12-6-4-7-13-23)17-19-28(20-18-27,24-14-8-5-9-15-24)31(3)26(32)22-11-10-16-25(29)21-22/h4-16,21H,17-20H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	-44.8	n/a	n/a	n/a	n/a	n/a	n/a	25
GRUENENTHAL GMBH US Patent					Assay Description The affinity to the human μ-opiate receptor was determined in a homogeneous preparation in microtiter plates. For this, dilution series of the res...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM239869 (US9403767, 24 | US9403767, 27) Show SMILES CN(C)C1(CCC(CC1)(N(C)C(=O)\C=C\c1ccccc1)c1ccccc1)c1ccccc1 |(-5.43,5.61,;-6.77,4.84,;-7.39,6.24,;-6.77,3.3,;-7.58,1.99,;-6.86,.63,;-5.32,.58,;-4.5,1.88,;-5.23,3.24,;-5.32,-.96,;-4.69,-2.37,;-6.65,-1.73,;-7.99,-.96,;-6.65,-3.27,;-7.99,-4.04,;-7.99,-5.58,;-6.65,-6.35,;-6.65,-7.89,;-7.99,-8.66,;-9.32,-7.89,;-9.32,-6.35,;-4.04,-.29,;-2.66,.39,;-1.38,-.47,;-1.49,-2.01,;-2.87,-2.68,;-4.15,-1.82,;-8.04,4.16,;-9.43,3.48,;-10.7,4.34,;-10.6,5.88,;-9.21,6.55,;-7.94,5.69,)| Show InChI InChI=1S/C30H34N2O/c1-31(2)29(26-15-9-5-10-16-26)21-23-30(24-22-29,27-17-11-6-12-18-27)32(3)28(33)20-19-25-13-7-4-8-14-25/h4-20H,21-24H2,1-3H3/b20-19+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14.3	-44.8	n/a	n/a	n/a	n/a	n/a	n/a	25
GRUENENTHAL GMBH US Patent					Assay Description The affinity to the human μ-opiate receptor was determined in a homogeneous preparation in microtiter plates. For this, dilution series of the res...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM239918 (US9403767, 92 | US9403767, 93) Show SMILES CN(C)C1(CCC(CC1)(N(C)C(=O)c1ccn(C)n1)c1ccccc1)c1ccccc1 |(6.92,4.5,;8.39,4.02,;9.53,5.05,;8.71,2.51,;9.53,1.21,;8.8,-.15,;7.26,-.21,;6.45,1.1,;7.17,2.46,;7.26,-1.75,;6.64,-3.15,;8.6,-2.52,;9.93,-1.75,;8.6,-4.06,;7.35,-4.96,;7.83,-6.43,;9.37,-6.43,;10.27,-7.67,;9.84,-4.96,;5.99,-1.07,;6.09,-2.6,;4.82,-3.46,;3.43,-2.79,;3.33,-1.25,;4.6,-.39,;10.14,3.09,;10.35,4.62,;11.78,5.19,;12.99,4.24,;12.78,2.72,;11.35,2.14,)| Show InChI InChI=1S/C26H32N4O/c1-28(2)25(21-11-7-5-8-12-21)16-18-26(19-17-25,22-13-9-6-10-14-22)30(4)24(31)23-15-20-29(3)27-23/h5-15,20H,16-19H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM239870 (US9403767, 25 | US9403767, 28) Show SMILES CN(C)C1(CCC(CC1)(N(C)C(C)=O)c1ccccc1)c1ccccc1 |(-1.65,-6.62,;-.11,-6.57,;-.22,-8.11,;.61,-5.21,;1.94,-4.44,;1.94,-2.9,;.61,-2.13,;-.72,-2.9,;-.72,-4.44,;1.33,-.77,;1.44,.77,;2.87,-.72,;3.69,-2.02,;3.6,.64,;-.11,-.77,;-1.65,-.72,;-2.37,.64,;-1.56,1.95,;-.02,1.9,;.7,.54,;1.33,-6.57,;2.87,-6.62,;3.6,-7.98,;2.78,-9.29,;1.24,-9.24,;.52,-7.88,)| Show InChI InChI=1S/C23H30N2O/c1-19(26)25(4)23(21-13-9-6-10-14-21)17-15-22(16-18-23,24(2)3)20-11-7-5-8-12-20/h5-14H,15-18H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15.4	-44.6	n/a	n/a	n/a	n/a	n/a	n/a	25
GRUENENTHAL GMBH US Patent					Assay Description The affinity to the human μ-opiate receptor was determined in a homogeneous preparation in microtiter plates. For this, dilution series of the res...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM239866 (US9403767, 19) Show SMILES CCCCC1(CNS(=O)(=O)c2ccc(Cl)cc2)CCC(CC1)(N(C)C)c1ccccc1 |(-.89,-6.6,;.62,-6.33,;1.15,-4.89,;2.67,-4.62,;3.66,-5.8,;4.65,-4.62,;4.12,-3.17,;5.11,-1.99,;3.93,-1,;6.29,-2.98,;6.1,-.81,;5.57,.63,;6.56,1.81,;8.08,1.55,;9.07,2.73,;8.61,.1,;7.62,-1.08,;4.99,-6.57,;4.99,-8.11,;3.66,-8.88,;2.32,-8.11,;2.32,-6.57,;4.65,-10.06,;4.12,-11.51,;6.16,-9.79,;2.67,-10.06,;3.19,-11.51,;2.2,-12.69,;.69,-12.42,;.16,-10.97,;1.15,-9.79,)| Show InChI InChI=1S/C25H35ClN2O2S/c1-4-5-15-24(20-27-31(29,30)23-13-11-22(26)12-14-23)16-18-25(19-17-24,28(2)3)21-9-7-6-8-10-21/h6-14,27H,4-5,15-20H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM239860 (US9403767, 9) Show SMILES CNC1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(4.59,-6.44,;3.05,-6.39,;2.32,-5.03,;3.66,-4.26,;3.66,-2.72,;2.32,-1.95,;.99,-2.72,;.99,-4.26,;1.33,-.77,;-.18,-1.04,;1.86,.68,;3.31,-.77,;2.79,.68,;3.78,1.86,;5.29,1.59,;5.82,.14,;4.83,-1.04,;1.6,-6.39,;2.42,-7.7,;1.69,-9.06,;.15,-9.11,;-.66,-7.8,;.06,-6.44,)| Show InChI InChI=1S/C21H28N2/c1-22-20(18-10-6-4-7-11-18)14-16-21(17-15-20,23(2)3)19-12-8-5-9-13-19/h4-13,22H,14-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17.8	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM239894 (US9403767, 52) Show SMILES CN(C)C1(CCC(CC1)(N(C)C(=O)C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 |(-13.9,3.85,;-13.9,2.31,;-15.43,2.47,;-12.56,1.54,;-11.84,.18,;-10.3,.13,;-9.49,1.43,;-10.21,2.79,;-11.75,2.85,;-8.15,.66,;-6.62,.5,;-8.15,-.88,;-9.49,-1.65,;-6.82,-1.65,;-6.82,-3.19,;-5.48,-3.96,;-5.48,-5.5,;-6.82,-6.27,;-8.15,-5.5,;-8.15,-3.96,;-5.48,-.88,;-5.48,.66,;-4.15,1.43,;-2.82,.66,;-2.82,-.88,;-4.15,-1.65,;-8.1,2.11,;-7.99,3.64,;-6.61,4.32,;-5.33,3.46,;-5.44,1.92,;-6.82,1.25,;-13.95,.87,;-14.06,-.67,;-15.44,-1.35,;-16.72,-.48,;-16.61,1.05,;-15.22,1.73,)| Show InChI InChI=1S/C35H38N2O/c1-36(2)34(30-20-12-6-13-21-30)24-26-35(27-25-34,31-22-14-7-15-23-31)37(3)33(38)32(28-16-8-4-9-17-28)29-18-10-5-11-19-29/h4-23,32H,24-27H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18	-44.2	n/a	n/a	n/a	n/a	n/a	n/a	25
GRUENENTHAL GMBH US Patent					Assay Description The affinity to the human μ-opiate receptor was determined in a homogeneous preparation in microtiter plates. For this, dilution series of the res...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM239943 (US9403767, 130) Show SMILES CN(C)C1(CCC(CC1)(N(C)CCCCO)c1ccccc1)c1ccccc1 |(4.26,-2.88,;2.92,-2.11,;3.83,-.86,;1.59,-2.88,;.05,-2.83,;-.77,-4.13,;-.04,-5.49,;1.5,-5.55,;2.31,-4.24,;-1.38,-6.26,;-2.28,-7.51,;-2.71,-5.49,;-4.04,-6.26,;-5.38,-5.49,;-6.71,-6.26,;-8.04,-5.49,;-.15,-7.03,;1.13,-7.89,;1.02,-9.43,;-.36,-10.1,;-1.64,-9.24,;-1.53,-7.7,;1.7,-1.34,;.42,-.48,;.53,1.05,;1.91,1.73,;3.19,.87,;3.08,-.67,)| Show InChI InChI=1S/C25H36N2O/c1-26(2)24(22-12-6-4-7-13-22)16-18-25(19-17-24,23-14-8-5-9-15-23)27(3)20-10-11-21-28/h4-9,12-15,28H,10-11,16-21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM239927 (US9403767, 106) Show SMILES COc1ccc(CN(C)C2(CCC(CC2)(N(C)C)c2ccccc2)c2ccccc2)cc1 |(-6.66,-10.79,;-5.33,-10.02,;-5.33,-8.48,;-3.99,-7.71,;-3.99,-6.17,;-5.33,-5.4,;-5.33,-3.86,;-3.99,-3.09,;-3.37,-4.49,;-3.99,-1.55,;-5.53,-1.49,;-6.26,-.13,;-5.44,1.17,;-3.9,1.12,;-3.18,-.24,;-5.44,2.71,;-4.11,3.48,;-6.07,4.12,;-6.72,2.03,;-8.1,1.36,;-9.38,2.22,;-9.27,3.76,;-7.88,4.43,;-6.61,3.57,;-2.72,-2.41,;-1.33,-1.73,;-.06,-2.6,;-.16,-4.13,;-1.55,-4.81,;-2.82,-3.95,;-6.66,-6.17,;-6.66,-7.71,)| Show InChI InChI=1S/C29H36N2O/c1-30(2)28(25-11-7-5-8-12-25)19-21-29(22-20-28,26-13-9-6-10-14-26)31(3)23-24-15-17-27(32-4)18-16-24/h5-18H,19-23H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	20	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM239933 (US9403767, 116) Show SMILES CN(C)C1(CCC(CC1)(N(C)C(=O)c1cccc(F)c1)c1ccccc1)c1ccccc1 |(-4.11,3.48,;-5.44,2.71,;-6.07,4.12,;-5.44,1.17,;-6.26,-.13,;-5.53,-1.49,;-3.99,-1.55,;-3.18,-.24,;-3.9,1.12,;-3.99,-3.09,;-3.37,-4.49,;-5.33,-3.86,;-6.66,-3.09,;-5.33,-5.4,;-6.66,-6.17,;-6.66,-7.71,;-5.33,-8.48,;-3.99,-7.71,;-2.66,-8.48,;-3.99,-6.17,;-2.72,-2.41,;-1.33,-1.73,;-.06,-2.6,;-.16,-4.13,;-1.55,-4.81,;-2.82,-3.95,;-6.72,2.03,;-8.1,1.36,;-9.38,2.22,;-9.27,3.76,;-7.88,4.43,;-6.61,3.57,)| Show InChI InChI=1S/C28H31FN2O/c1-30(2)27(23-12-6-4-7-13-23)17-19-28(20-18-27,24-14-8-5-9-15-24)31(3)26(32)22-11-10-16-25(29)21-22/h4-16,21H,17-20H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	21	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM239875 (US9403767, 31 | US9403767, 32) Show SMILES CCNC(=O)N(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(1.23,-4.45,;-.11,-5.22,;-1.44,-4.45,;-2.77,-5.22,;-2.77,-6.76,;-4.11,-4.45,;-3.2,-3.2,;-5.44,-5.22,;-4.72,-6.58,;-5.53,-7.88,;-7.07,-7.83,;-7.8,-6.47,;-6.98,-5.16,;-8.41,-8.6,;-9.74,-7.83,;-9.31,-9.84,;-7.18,-9.36,;-5.9,-10.22,;-6.01,-11.76,;-7.39,-12.44,;-8.67,-11.58,;-8.56,-10.04,;-5.33,-3.68,;-6.61,-2.82,;-6.5,-1.28,;-5.12,-.61,;-3.84,-1.47,;-3.95,-3,)| Show InChI InChI=1S/C24H33N3O/c1-5-25-22(28)27(4)24(21-14-10-7-11-15-21)18-16-23(17-19-24,26(2)3)20-12-8-6-9-13-20/h6-15H,5,16-19H2,1-4H3,(H,25,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22	-43.7	n/a	n/a	n/a	n/a	n/a	n/a	25
GRUENENTHAL GMBH US Patent					Assay Description The affinity to the human μ-opiate receptor was determined in a homogeneous preparation in microtiter plates. For this, dilution series of the res...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM239882 (US9403767, 40 | US9403767, 41) Show SMILES CN(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1cccs1 |(-2.21,-7.2,;-1.39,-5.89,;-2.77,-5.22,;-.11,-5.03,;-.93,-3.72,;-.21,-2.36,;1.33,-2.31,;2.15,-3.62,;1.43,-4.98,;2.61,-1.45,;3.99,-2.12,;3.43,-.14,;1.33,-.77,;;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;-.11,-6.57,;-1.36,-7.47,;-.88,-8.94,;.66,-8.94,;1.13,-7.47,)| Show InChI InChI=1S/C20H28N2S/c1-21(2)19(17-9-6-5-7-10-17)12-14-20(15-13-19,22(3)4)18-11-8-16-23-18/h5-11,16H,12-15H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	25.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM239907 (US9403767, 72 | US9403767, 73) Show SMILES CN(C)C1(CCC(CC1)(N(C)C)c1ccc(cc1)C(F)(F)F)c1ccccc1 |(-1.65,-6.62,;-.11,-6.57,;-.22,-8.11,;.61,-5.21,;1.94,-4.44,;1.94,-2.9,;.61,-2.13,;-.72,-2.9,;-.72,-4.44,;1.33,-.77,;1.44,.77,;2.87,-.72,;-.11,-.77,;-1.65,-.72,;-2.37,.64,;-1.56,1.95,;-.02,1.9,;.7,.54,;-2.28,3.31,;-3,4.67,;-3.64,2.59,;-.92,4.03,;1.33,-6.57,;2.87,-6.62,;3.6,-7.98,;2.78,-9.29,;1.24,-9.24,;.52,-7.88,)| Show InChI InChI=1S/C23H29F3N2/c1-27(2)21(18-8-6-5-7-9-18)14-16-22(17-15-21,28(3)4)19-10-12-20(13-11-19)23(24,25)26/h5-13H,14-17H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	27	-43.2	n/a	n/a	n/a	n/a	n/a	n/a	25
GRUENENTHAL GMBH US Patent					Assay Description The affinity to the human μ-opiate receptor was determined in a homogeneous preparation in microtiter plates. For this, dilution series of the res...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM239897 (US9403767, 60 | US9403767, 61) Show SMILES CNC1(CCC(CC2CCCC2)(CC1)N(C)C)c1ccccc1 |(8.28,-6.8,;8.5,-5.28,;7.29,-4.33,;6.76,-2.88,;5.24,-2.62,;4.25,-3.8,;2.92,-4.57,;2.92,-6.11,;4.16,-7.01,;3.69,-8.48,;2.15,-8.48,;1.67,-7.01,;4.78,-5.24,;6.3,-5.51,;3.26,-2.62,;3.79,-1.17,;1.75,-2.88,;8.75,-3.86,;9.07,-2.35,;10.53,-1.87,;11.68,-2.9,;11.36,-4.41,;9.89,-4.89,)| Show InChI InChI=1S/C21H34N2/c1-22-21(19-11-5-4-6-12-19)15-13-20(14-16-21,23(2)3)17-18-9-7-8-10-18/h4-6,11-12,18,22H,7-10,13-17H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	32	-42.8	n/a	n/a	n/a	n/a	n/a	n/a	25
GRUENENTHAL GMBH US Patent					Assay Description The affinity to the human μ-opiate receptor was determined in a homogeneous preparation in microtiter plates. For this, dilution series of the res...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM239925 (US9403767, 104 | US9403767, 105) Show SMILES COc1ccc(cc1)C(=O)N(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(6.66,-13.19,;7.48,-11.88,;6.75,-10.52,;7.57,-9.22,;6.85,-7.86,;5.31,-7.8,;4.49,-9.11,;5.22,-10.47,;4.59,-6.44,;5.4,-5.14,;3.05,-6.39,;3.15,-7.93,;2.32,-5.03,;3.66,-4.26,;3.66,-2.72,;2.32,-1.95,;.99,-2.72,;.99,-4.26,;1.33,-.77,;-.18,-1.04,;1.86,.68,;3.31,-.77,;2.79,.68,;3.78,1.86,;5.29,1.59,;5.82,.14,;4.83,-1.04,;1.6,-6.39,;2.42,-7.7,;1.69,-9.06,;.15,-9.11,;-.66,-7.8,;.06,-6.44,)| Show InChI InChI=1S/C29H34N2O2/c1-30(2)28(24-11-7-5-8-12-24)19-21-29(22-20-28,25-13-9-6-10-14-25)31(3)27(32)23-15-17-26(33-4)18-16-23/h5-18H,19-22H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	33	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair

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