Compile Data Set for Download or QSAR

Found 148 hits with Last Name = 'hinze' and Initial = 'c'   

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))	BDBM50100983 (CHEMBL3326224) Show SMILES Cl.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:4.2,wD:7.9,(22.71,-7.97,;18.3,-7.93,;16.96,-7.16,;16.96,-5.62,;15.63,-7.93,;14.86,-9.26,;13.32,-9.27,;12.55,-7.94,;13.32,-6.61,;14.86,-6.6,;11.79,-9.28,;10.25,-9.27,;9.47,-7.94,;10.25,-6.6,;11.79,-6.61,;12.26,-5.14,;11.03,-4.24,;10.87,-2.7,;9.47,-2.07,;8.21,-2.98,;8.37,-4.51,;9.77,-5.14,;16.43,-9.25,;15.68,-10.6,;16.48,-11.91,;18.02,-11.88,;18.76,-10.52,;17.96,-9.21,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells by scintillation proximity assay				ACS Med Chem Lett 5: 857-62 (2014) Article DOI: 10.1021/ml500117c BindingDB Entry DOI: 10.7270/Q25140ZK
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50101099 (CHEMBL3326228) Show SMILES Cl.CN(C)[C@]1(CC[C@@]2(CC1)NCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:4.2,wD:7.9,(19.24,-9.37,;10.32,-12.36,;8.84,-12.77,;7.74,-11.68,;8.44,-14.27,;7.67,-15.59,;6.14,-15.59,;5.38,-14.26,;6.14,-12.93,;7.68,-12.94,;4.47,-15.52,;2.93,-15.35,;2.3,-13.94,;3.21,-12.69,;4.75,-12.85,;5.38,-11.44,;4.23,-10.41,;4.23,-8.85,;2.89,-8.09,;1.56,-8.86,;1.56,-10.41,;2.89,-11.18,;9.98,-14.28,;10.74,-15.62,;12.28,-15.63,;13.06,-14.29,;12.29,-12.95,;10.75,-12.95,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells by scintillation proximity assay				ACS Med Chem Lett 5: 857-62 (2014) Article DOI: 10.1021/ml500117c BindingDB Entry DOI: 10.7270/Q25140ZK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50101306 (CHEMBL3326229) Show SMILES Cl.CN(C)[C@]1(CC[C@@]2(CC1)N(C)CCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:4.2,wD:7.9,(35,-11.75,;25.44,-13.91,;23.96,-14.32,;22.86,-13.23,;23.56,-15.82,;22.79,-17.14,;21.26,-17.14,;20.5,-15.8,;21.26,-14.48,;22.8,-14.49,;19.59,-17.06,;20.22,-18.47,;18.05,-16.9,;17.42,-15.49,;18.33,-14.24,;19.87,-14.4,;20.5,-12.99,;19.35,-11.95,;19.35,-10.4,;18.01,-9.64,;16.68,-10.41,;16.68,-11.95,;18.01,-12.72,;25.1,-15.82,;25.86,-17.16,;27.4,-17.17,;28.18,-15.84,;27.4,-14.5,;25.87,-14.5,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from human MOP receptor expressed in CHO-K1 cells by scintillation proximity assay				ACS Med Chem Lett 5: 857-62 (2014) Article DOI: 10.1021/ml500117c BindingDB Entry DOI: 10.7270/Q25140ZK
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM177911 (US9120797, 10 | US9120797, 9) Show SMILES CN(C)C1(CCC2(CC1)NCCc1c2[nH]c2ccccc12)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)| Show InChI InChI=1S/C24H29N3/c1-27(2)24(18-8-4-3-5-9-18)15-13-23(14-16-24)22-20(12-17-25-23)19-10-6-7-11-21(19)26-22/h3-11,25-26H,12-17H2,1-2H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.260	-54.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Gruenenthal GmbH US Patent					Assay Description The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50100983 (CHEMBL3326224) Show SMILES Cl.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:4.2,wD:7.9,(22.71,-7.97,;18.3,-7.93,;16.96,-7.16,;16.96,-5.62,;15.63,-7.93,;14.86,-9.26,;13.32,-9.27,;12.55,-7.94,;13.32,-6.61,;14.86,-6.6,;11.79,-9.28,;10.25,-9.27,;9.47,-7.94,;10.25,-6.6,;11.79,-6.61,;12.26,-5.14,;11.03,-4.24,;10.87,-2.7,;9.47,-2.07,;8.21,-2.98,;8.37,-4.51,;9.77,-5.14,;16.43,-9.25,;15.68,-10.6,;16.48,-11.91,;18.02,-11.88,;18.76,-10.52,;17.96,-9.21,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from human MOP receptor expressed in CHO-K1 cells by scintillation proximity assay				ACS Med Chem Lett 5: 857-62 (2014) Article DOI: 10.1021/ml500117c BindingDB Entry DOI: 10.7270/Q25140ZK
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM177903 (US9120797, 1 | US9120797, 2 | US9120797, 3) Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)| Show InChI InChI=1S/C24H28N2O/c1-26(2)23(18-8-4-3-5-9-18)13-15-24(16-14-23)22-20(12-17-27-24)19-10-6-7-11-21(19)25-22/h3-11,25H,12-17H2,1-2H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	-54.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Gruenenthal GmbH US Patent					Assay Description The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50100983 (CHEMBL3326224) Show SMILES Cl.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:4.2,wD:7.9,(22.71,-7.97,;18.3,-7.93,;16.96,-7.16,;16.96,-5.62,;15.63,-7.93,;14.86,-9.26,;13.32,-9.27,;12.55,-7.94,;13.32,-6.61,;14.86,-6.6,;11.79,-9.28,;10.25,-9.27,;9.47,-7.94,;10.25,-6.6,;11.79,-6.61,;12.26,-5.14,;11.03,-4.24,;10.87,-2.7,;9.47,-2.07,;8.21,-2.98,;8.37,-4.51,;9.77,-5.14,;16.43,-9.25,;15.68,-10.6,;16.48,-11.91,;18.02,-11.88,;18.76,-10.52,;17.96,-9.21,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins				ACS Med Chem Lett 5: 851-6 (2014) Article DOI: 10.1021/ml500116x BindingDB Entry DOI: 10.7270/Q28S4RPM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50101088 (CHEMBL3326220) Show SMILES Cl.CN(C)[C@]1(CC[C@@H](CC1)NC(=O)CCC1CCCC1)c1ccccc1 |r,wU:4.2,wD:7.9,(15.72,-29.86,;12.69,-28.26,;11.36,-27.5,;11.36,-25.96,;10.03,-28.27,;9.26,-29.6,;7.72,-29.6,;6.95,-28.28,;7.71,-26.95,;9.25,-26.94,;5.41,-28.28,;4.63,-26.95,;5.4,-25.61,;3.1,-26.95,;2.33,-25.61,;.79,-25.61,;-.11,-24.36,;-1.58,-24.83,;-1.58,-26.37,;-.12,-26.85,;10.82,-29.59,;10.08,-30.93,;10.87,-32.25,;12.41,-32.22,;13.16,-30.86,;12.36,-29.55,)| Show InChI InChI=1S/C22H34N2O/c1-24(2)22(19-10-4-3-5-11-19)16-14-20(15-17-22)23-21(25)13-12-18-8-6-7-9-18/h3-5,10-11,18,20H,6-9,12-17H2,1-2H3,(H,23,25)/t20-,22-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]Naloxone from human mu opioid receptor receptor expressed in CHO-K1 cells after 90 mins				ACS Med Chem Lett 5: 851-6 (2014) Article DOI: 10.1021/ml500116x BindingDB Entry DOI: 10.7270/Q28S4RPM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50101152 (CHEMBL3326232) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:15.13,wD:18.20,(20.04,-1.08,;21.36,-1.84,;22.69,-1.08,;21.36,-3.37,;20.04,-4.13,;18.72,-3.37,;20.8,-5.45,;22.32,-5.46,;23.08,-6.78,;23.09,-4.13,;19.28,-5.45,;20.04,-6.77,;17.75,-5.44,;8.07,-7.76,;9.17,-8.84,;8.78,-10.34,;8,-11.67,;6.47,-11.66,;5.71,-10.33,;6.47,-9,;8.01,-9.01,;4.8,-11.59,;3.25,-11.43,;2.63,-10.01,;3.53,-8.77,;5.08,-8.93,;5.71,-7.51,;4.56,-6.48,;4.56,-4.92,;3.22,-4.16,;1.88,-4.93,;1.88,-6.48,;3.22,-7.25,;10.31,-10.35,;11.08,-11.69,;12.62,-11.7,;13.4,-10.37,;12.62,-9.02,;11.08,-9.02,)| Show InChI InChI=1S/C23H26N2O.C6H8O7/c1-24-22(17-7-3-2-4-8-17)12-14-23(15-13-22)21-19(11-16-26-23)18-9-5-6-10-20(18)25-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-10,24-25H,11-16H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t22-,23-;	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from human MOP receptor expressed in CHO-K1 cells by scintillation proximity assay				ACS Med Chem Lett 5: 857-62 (2014) Article DOI: 10.1021/ml500117c BindingDB Entry DOI: 10.7270/Q25140ZK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177911 (US9120797, 10 | US9120797, 9) Show SMILES CN(C)C1(CCC2(CC1)NCCc1c2[nH]c2ccccc12)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)| Show InChI InChI=1S/C24H29N3/c1-27(2)24(18-8-4-3-5-9-18)15-13-23(14-16-24)22-20(12-17-25-23)19-10-6-7-11-21(19)26-22/h3-11,25-26H,12-17H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.360	-53.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50101099 (CHEMBL3326228) Show SMILES Cl.CN(C)[C@]1(CC[C@@]2(CC1)NCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:4.2,wD:7.9,(19.24,-9.37,;10.32,-12.36,;8.84,-12.77,;7.74,-11.68,;8.44,-14.27,;7.67,-15.59,;6.14,-15.59,;5.38,-14.26,;6.14,-12.93,;7.68,-12.94,;4.47,-15.52,;2.93,-15.35,;2.3,-13.94,;3.21,-12.69,;4.75,-12.85,;5.38,-11.44,;4.23,-10.41,;4.23,-8.85,;2.89,-8.09,;1.56,-8.86,;1.56,-10.41,;2.89,-11.18,;9.98,-14.28,;10.74,-15.62,;12.28,-15.63,;13.06,-14.29,;12.29,-12.95,;10.75,-12.95,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from human MOP receptor expressed in CHO-K1 cells by scintillation proximity assay				ACS Med Chem Lett 5: 857-62 (2014) Article DOI: 10.1021/ml500117c BindingDB Entry DOI: 10.7270/Q25140ZK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50101096 (CHEMBL3325961) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(O)cc12)c1ccccc1 |r,wU:16.14,wD:19.21,(26.19,-30.17,;27.51,-30.93,;28.83,-30.17,;27.51,-32.46,;26.19,-33.22,;24.86,-32.46,;26.94,-34.54,;28.47,-34.55,;29.23,-35.87,;29.24,-33.23,;25.42,-34.54,;26.18,-35.86,;23.89,-34.53,;16.55,-35.59,;17.65,-36.68,;19.13,-36.27,;17.25,-38.18,;16.48,-39.51,;14.95,-39.5,;14.18,-38.17,;14.95,-36.84,;16.49,-36.85,;13.27,-39.43,;11.73,-39.27,;11.1,-37.85,;12.01,-36.6,;13.55,-36.76,;14.18,-35.35,;13.04,-34.31,;13.03,-32.76,;11.69,-31.99,;10.36,-32.76,;9.02,-31.99,;10.36,-34.31,;11.69,-35.08,;18.79,-38.19,;19.55,-39.53,;21.1,-39.54,;21.87,-38.2,;21.1,-36.86,;19.56,-36.86,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from human MOP receptor expressed in CHO-K1 cells by scintillation proximity assay				ACS Med Chem Lett 5: 857-62 (2014) Article DOI: 10.1021/ml500117c BindingDB Entry DOI: 10.7270/Q25140ZK
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50101091 (CHEMBL3326223) Show SMILES Cl.Cl.CN(C)[C@]1(CC[C@@H](CC1)NCCc1c[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:5.2,wD:8.9,(50.15,-23.7,;44.1,-26.45,;47.35,-21.61,;46.01,-20.85,;46.01,-19.3,;44.68,-21.62,;43.91,-22.95,;42.37,-22.95,;41.6,-21.63,;42.36,-20.29,;43.9,-20.29,;40.06,-21.63,;39.26,-22.95,;37.72,-22.91,;36.92,-24.23,;37.52,-25.66,;36.35,-26.66,;35.03,-25.86,;33.57,-26.31,;32.44,-25.27,;32.79,-23.76,;31.66,-22.71,;34.26,-23.31,;35.38,-24.36,;45.47,-22.94,;44.73,-24.28,;45.53,-25.6,;47.07,-25.57,;47.81,-24.21,;47.01,-22.9,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins				ACS Med Chem Lett 5: 851-6 (2014) Article DOI: 10.1021/ml500116x BindingDB Entry DOI: 10.7270/Q28S4RPM
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50101088 (CHEMBL3326220) Show SMILES Cl.CN(C)[C@]1(CC[C@@H](CC1)NC(=O)CCC1CCCC1)c1ccccc1 |r,wU:4.2,wD:7.9,(15.72,-29.86,;12.69,-28.26,;11.36,-27.5,;11.36,-25.96,;10.03,-28.27,;9.26,-29.6,;7.72,-29.6,;6.95,-28.28,;7.71,-26.95,;9.25,-26.94,;5.41,-28.28,;4.63,-26.95,;5.4,-25.61,;3.1,-26.95,;2.33,-25.61,;.79,-25.61,;-.11,-24.36,;-1.58,-24.83,;-1.58,-26.37,;-.12,-26.85,;10.82,-29.59,;10.08,-30.93,;10.87,-32.25,;12.41,-32.22,;13.16,-30.86,;12.36,-29.55,)| Show InChI InChI=1S/C22H34N2O/c1-24(2)22(19-10-4-3-5-11-19)16-14-20(15-17-22)23-21(25)13-12-18-8-6-7-9-18/h3-5,10-11,18,20H,6-9,12-17H2,1-2H3,(H,23,25)/t20-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins				ACS Med Chem Lett 5: 851-6 (2014) Article DOI: 10.1021/ml500116x BindingDB Entry DOI: 10.7270/Q28S4RPM
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50100991 (CHEMBL3325879) Show SMILES Cl.Cl.CN(C)[C@]1(CC[C@@H](CC1)NCCCc1ccccc1)c1ccccc1 |r,wU:5.2,wD:8.9,(20.29,-18.75,;12.97,-20.62,;17.61,-17.09,;16.27,-16.32,;16.27,-14.78,;14.94,-17.09,;14.17,-18.42,;12.63,-18.43,;11.86,-17.1,;12.62,-15.77,;14.17,-15.76,;10.32,-17.1,;9.56,-18.43,;8.02,-18.44,;7.26,-19.78,;5.72,-19.79,;4.95,-18.45,;3.41,-18.46,;2.64,-19.79,;3.42,-21.13,;4.96,-21.12,;15.74,-18.41,;14.99,-19.76,;15.79,-21.08,;17.33,-21.04,;18.07,-19.68,;17.27,-18.37,)| Show InChI InChI=1S/C23H32N2/c1-25(2)23(21-13-7-4-8-14-21)17-15-22(16-18-23)24-19-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14,22,24H,9,12,15-19H2,1-2H3/t22-,23-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins				ACS Med Chem Lett 5: 851-6 (2014) Article DOI: 10.1021/ml500116x BindingDB Entry DOI: 10.7270/Q28S4RPM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177935 (US9120797, 33) Show SMILES CC1Cc2c([nH]c3ccccc23)C2(CCC(CC2)(N(C)C)c2ccccc2)N1 |(-3.98,-3.6,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;-.9,-.93,;-.13,-2.26,;1.41,-2.26,;2.18,-.93,;1.41,.4,;-.13,.4,;3.27,.16,;4.75,-.24,;2.87,1.65,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,;-1.67,-2.26,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-53.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM177935 (US9120797, 33) Show SMILES CC1Cc2c([nH]c3ccccc23)C2(CCC(CC2)(N(C)C)c2ccccc2)N1 |(-3.98,-3.6,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;-.9,-.93,;-.13,-2.26,;1.41,-2.26,;2.18,-.93,;1.41,.4,;-.13,.4,;3.27,.16,;4.75,-.24,;2.87,1.65,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,;-1.67,-2.26,)| Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-53.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Gruenenthal GmbH US Patent					Assay Description The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50101306 (CHEMBL3326229) Show SMILES Cl.CN(C)[C@]1(CC[C@@]2(CC1)N(C)CCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:4.2,wD:7.9,(35,-11.75,;25.44,-13.91,;23.96,-14.32,;22.86,-13.23,;23.56,-15.82,;22.79,-17.14,;21.26,-17.14,;20.5,-15.8,;21.26,-14.48,;22.8,-14.49,;19.59,-17.06,;20.22,-18.47,;18.05,-16.9,;17.42,-15.49,;18.33,-14.24,;19.87,-14.4,;20.5,-12.99,;19.35,-11.95,;19.35,-10.4,;18.01,-9.64,;16.68,-10.41,;16.68,-11.95,;18.01,-12.72,;25.1,-15.82,;25.86,-17.16,;27.4,-17.17,;28.18,-15.84,;27.4,-14.5,;25.87,-14.5,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells by scintillation proximity assay				ACS Med Chem Lett 5: 857-62 (2014) Article DOI: 10.1021/ml500117c BindingDB Entry DOI: 10.7270/Q25140ZK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177955 (US9120797, 53) Show SMILES CN(C)C1(Cc2ccccc2)CCC2(CC1)NCCc1c2[nH]c2ccccc12 |(3.6,-.91,;2.11,-.51,;1.71,.98,;1.02,-1.6,;1.79,-2.93,;3.33,-2.93,;4.1,-4.26,;5.64,-4.26,;6.41,-2.93,;5.64,-1.6,;4.1,-1.6,;.25,-2.93,;-1.29,-2.93,;-2.06,-1.6,;-1.29,-.26,;.25,-.26,;-2.83,-2.93,;-4.37,-2.93,;-5.14,-1.6,;-4.37,-.26,;-2.83,-.26,;-2.35,1.2,;-3.6,2.11,;-3.76,3.64,;-5.17,4.26,;-6.41,3.36,;-6.25,1.83,;-4.84,1.2,)| Show InChI InChI=1S/C25H31N3/c1-28(2)24(18-19-8-4-3-5-9-19)13-15-25(16-14-24)23-21(12-17-26-25)20-10-6-7-11-22(20)27-23/h3-11,26-27H,12-18H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	-52.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50100983 (CHEMBL3326224) Show SMILES Cl.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:4.2,wD:7.9,(22.71,-7.97,;18.3,-7.93,;16.96,-7.16,;16.96,-5.62,;15.63,-7.93,;14.86,-9.26,;13.32,-9.27,;12.55,-7.94,;13.32,-6.61,;14.86,-6.6,;11.79,-9.28,;10.25,-9.27,;9.47,-7.94,;10.25,-6.6,;11.79,-6.61,;12.26,-5.14,;11.03,-4.24,;10.87,-2.7,;9.47,-2.07,;8.21,-2.98,;8.37,-4.51,;9.77,-5.14,;16.43,-9.25,;15.68,-10.6,;16.48,-11.91,;18.02,-11.88,;18.76,-10.52,;17.96,-9.21,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]Naloxone from human mu opioid receptor receptor expressed in CHO-K1 cells after 90 mins				ACS Med Chem Lett 5: 851-6 (2014) Article DOI: 10.1021/ml500116x BindingDB Entry DOI: 10.7270/Q28S4RPM
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM177903 (US9120797, 1 | US9120797, 2 | US9120797, 3) Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)| Show InChI InChI=1S/C24H28N2O/c1-26(2)23(18-8-4-3-5-9-18)13-15-24(16-14-23)22-20(12-17-27-24)19-10-6-7-11-21(19)25-22/h3-11,25H,12-17H2,1-2H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	-52.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Gruenenthal GmbH US Patent					Assay Description The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177903 (US9120797, 1 | US9120797, 2 | US9120797, 3) Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)| Show InChI InChI=1S/C24H28N2O/c1-26(2)23(18-8-4-3-5-9-18)13-15-24(16-14-23)22-20(12-17-27-24)19-10-6-7-11-21(19)25-22/h3-11,25H,12-17H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	-52.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177936 (US9120797, 34) Show SMILES CN(C)C1(CCC2(CC1)NCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |(5.5,-.24,;4.01,.16,;3.61,1.65,;2.92,-.93,;2.15,-2.26,;.61,-2.26,;-.16,-.93,;.61,.4,;2.15,.4,;-.93,-2.26,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,)| Show InChI InChI=1S/C24H28FN3/c1-28(2)24(17-6-4-3-5-7-17)13-11-23(12-14-24)22-19(10-15-26-23)20-16-18(25)8-9-21(20)27-22/h3-9,16,26-27H,10-15H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.700	-52.3	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50100993 (CHEMBL3325881) Show SMILES Cl.CN(C)[C@]1(CC[C@@H](CC1)NC(=O)NCCCc1ccccc1)c1ccccc1 |r,wU:4.2,wD:7.9,(11.38,-21.45,;17.64,-17.11,;16.3,-16.34,;16.3,-14.8,;14.96,-17.12,;14.2,-18.45,;12.65,-18.46,;11.88,-17.13,;12.65,-15.79,;14.19,-15.79,;10.33,-17.13,;9.57,-18.46,;10.36,-19.8,;8.03,-18.48,;7.27,-19.82,;5.73,-19.82,;4.97,-21.15,;3.43,-21.17,;2.65,-19.84,;1.11,-19.85,;.35,-21.19,;1.14,-22.52,;2.67,-22.5,;15.76,-18.44,;15.02,-19.79,;15.81,-21.11,;17.36,-21.08,;18.1,-19.72,;17.3,-18.4,)| Show InChI InChI=1S/C24H33N3O/c1-27(2)24(21-13-7-4-8-14-21)17-15-22(16-18-24)26-23(28)25-19-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14,22H,9,12,15-19H2,1-2H3,(H2,25,26,28)/t22-,24-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]Naloxone from human mu opioid receptor receptor expressed in CHO-K1 cells after 90 mins				ACS Med Chem Lett 5: 851-6 (2014) Article DOI: 10.1021/ml500116x BindingDB Entry DOI: 10.7270/Q28S4RPM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50101095 (CHEMBL3325957) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:16.14,wD:19.21,(30.28,-8.84,;31.61,-9.6,;32.93,-8.84,;31.61,-11.13,;30.28,-11.9,;28.96,-11.13,;31.04,-13.22,;32.57,-13.22,;33.33,-14.55,;33.34,-11.9,;29.52,-13.21,;30.28,-14.54,;27.99,-13.21,;23.02,-15.74,;21.53,-16.15,;20.43,-15.06,;21.14,-17.65,;20.36,-18.98,;18.83,-18.97,;18.07,-17.64,;18.83,-16.31,;20.37,-16.32,;17.16,-18.9,;15.61,-18.74,;14.99,-17.32,;15.89,-16.07,;17.44,-16.24,;18.07,-14.82,;16.92,-13.78,;16.92,-12.23,;15.58,-11.46,;14.24,-12.24,;12.91,-11.46,;14.24,-13.78,;15.58,-14.55,;22.67,-17.66,;23.44,-19,;24.98,-19.01,;25.76,-17.68,;24.99,-16.33,;23.45,-16.33,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from human MOP receptor expressed in CHO-K1 cells by scintillation proximity assay				ACS Med Chem Lett 5: 857-62 (2014) Article DOI: 10.1021/ml500117c BindingDB Entry DOI: 10.7270/Q25140ZK
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM177948 (US9120797, 46) Show SMILES COC(=O)C1Cc2c([nH]c3ccccc23)C2(CCC(CC2)(N(C)C)c2ccccc2)N1 |(-5.78,-4.93,;-5,-3.6,;-3.47,-3.6,;-2.69,-4.93,;-2.69,-2.26,;-3.47,-.93,;-2.69,.4,;-1.15,.4,;-.68,1.87,;-1.93,2.77,;-2.09,4.3,;-3.49,4.93,;-4.74,4.03,;-4.58,2.49,;-3.17,1.87,;-.38,-.93,;.38,-2.26,;1.93,-2.26,;2.69,-.93,;1.93,.4,;.38,.4,;3.78,.16,;5.27,-.24,;3.39,1.65,;3.47,-2.26,;2.69,-3.6,;3.47,-4.93,;5,-4.93,;5.78,-3.6,;5,-2.26,;-1.15,-2.26,)| Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	-51.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Gruenenthal GmbH US Patent					Assay Description The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50101095 (CHEMBL3325957) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:16.14,wD:19.21,(30.28,-8.84,;31.61,-9.6,;32.93,-8.84,;31.61,-11.13,;30.28,-11.9,;28.96,-11.13,;31.04,-13.22,;32.57,-13.22,;33.33,-14.55,;33.34,-11.9,;29.52,-13.21,;30.28,-14.54,;27.99,-13.21,;23.02,-15.74,;21.53,-16.15,;20.43,-15.06,;21.14,-17.65,;20.36,-18.98,;18.83,-18.97,;18.07,-17.64,;18.83,-16.31,;20.37,-16.32,;17.16,-18.9,;15.61,-18.74,;14.99,-17.32,;15.89,-16.07,;17.44,-16.24,;18.07,-14.82,;16.92,-13.78,;16.92,-12.23,;15.58,-11.46,;14.24,-12.24,;12.91,-11.46,;14.24,-13.78,;15.58,-14.55,;22.67,-17.66,;23.44,-19,;24.98,-19.01,;25.76,-17.68,;24.99,-16.33,;23.45,-16.33,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells by scintillation proximity assay				ACS Med Chem Lett 5: 857-62 (2014) Article DOI: 10.1021/ml500117c BindingDB Entry DOI: 10.7270/Q25140ZK
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50101096 (CHEMBL3325961) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(O)cc12)c1ccccc1 |r,wU:16.14,wD:19.21,(26.19,-30.17,;27.51,-30.93,;28.83,-30.17,;27.51,-32.46,;26.19,-33.22,;24.86,-32.46,;26.94,-34.54,;28.47,-34.55,;29.23,-35.87,;29.24,-33.23,;25.42,-34.54,;26.18,-35.86,;23.89,-34.53,;16.55,-35.59,;17.65,-36.68,;19.13,-36.27,;17.25,-38.18,;16.48,-39.51,;14.95,-39.5,;14.18,-38.17,;14.95,-36.84,;16.49,-36.85,;13.27,-39.43,;11.73,-39.27,;11.1,-37.85,;12.01,-36.6,;13.55,-36.76,;14.18,-35.35,;13.04,-34.31,;13.03,-32.76,;11.69,-31.99,;10.36,-32.76,;9.02,-31.99,;10.36,-34.31,;11.69,-35.08,;18.79,-38.19,;19.55,-39.53,;21.1,-39.54,;21.87,-38.2,;21.1,-36.86,;19.56,-36.86,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells by scintillation proximity assay				ACS Med Chem Lett 5: 857-62 (2014) Article DOI: 10.1021/ml500117c BindingDB Entry DOI: 10.7270/Q25140ZK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50101100 (CHEMBL3325962) Show SMILES Cl.COc1ccc2[nH]c3c(CCO[C@]33CC[C@@](CC3)(N(C)C)c3ccccc3)c2c1 |r,wU:16.19,wD:13.11,(39.43,-34.33,;20.7,-31.14,;20.7,-32.68,;22.04,-33.45,;23.37,-32.68,;24.7,-33.45,;24.71,-35,;25.86,-36.04,;25.22,-37.45,;23.68,-37.28,;22.78,-38.53,;23.4,-39.95,;24.95,-40.11,;25.85,-38.85,;26.62,-40.18,;28.14,-40.18,;28.92,-38.86,;28.16,-37.53,;26.62,-37.52,;29.31,-37.36,;28.22,-36.28,;30.8,-36.95,;30.45,-38.87,;31.22,-40.21,;32.76,-40.22,;33.53,-38.88,;32.76,-37.54,;31.22,-37.54,;23.37,-35.77,;22.04,-35,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from human MOP receptor expressed in CHO-K1 cells by scintillation proximity assay				ACS Med Chem Lett 5: 857-62 (2014) Article DOI: 10.1021/ml500117c BindingDB Entry DOI: 10.7270/Q25140ZK
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50101090 (CHEMBL3326222) Show SMILES Cl.Cl.CN(C)[C@]1(CC[C@@H](CC1)NCCc1c[nH]c2ccccc12)c1ccccc1 |r,wU:5.2,wD:8.9,(49.66,-24.64,;42.84,-26.18,;47.35,-21.61,;46.01,-20.85,;46.01,-19.3,;44.68,-21.62,;43.91,-22.95,;42.37,-22.95,;41.6,-21.63,;42.36,-20.29,;43.9,-20.29,;40.06,-21.63,;39.26,-22.95,;37.72,-22.91,;36.92,-24.23,;37.52,-25.66,;36.35,-26.66,;35.03,-25.86,;33.57,-26.31,;32.44,-25.27,;32.79,-23.76,;34.26,-23.31,;35.38,-24.36,;45.47,-22.94,;44.73,-24.28,;45.53,-25.6,;47.07,-25.57,;47.81,-24.21,;47.01,-22.9,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins				ACS Med Chem Lett 5: 851-6 (2014) Article DOI: 10.1021/ml500116x BindingDB Entry DOI: 10.7270/Q28S4RPM
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM177934 (US9120797, 32) Show SMILES CN(C)C1(CCC2(CC1)N(CCc1c2[nH]c2cc(F)ccc12)C(C)=O)c1ccccc1 |(4.75,-.98,;3.27,-.59,;2.87,.9,;2.18,-1.67,;1.41,-3.01,;-.13,-3.01,;-.9,-1.67,;-.13,-.34,;1.41,-.34,;-1.67,-3.01,;-3.21,-3.01,;-3.98,-1.67,;-3.21,-.34,;-1.67,-.34,;-1.2,1.12,;-2.44,2.03,;-2.6,3.56,;-4.01,4.19,;-4.41,5.68,;-5.26,3.28,;-5.1,1.75,;-3.69,1.12,;-.9,-4.34,;-1.67,-5.68,;.64,-4.34,;2.95,-3.01,;2.18,-4.34,;2.95,-5.68,;4.49,-5.68,;5.26,-4.34,;4.49,-3.01,)| Show InChI InChI=1S/C26H30FN3O/c1-18(31)30-16-11-22-21-10-9-20(27)17-23(21)28-24(22)26(30)14-12-25(13-15-26,29(2)3)19-7-5-4-6-8-19/h4-10,17,28H,11-16H2,1-3H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	-51.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Gruenenthal GmbH US Patent					Assay Description The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50101152 (CHEMBL3326232) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:15.13,wD:18.20,(20.04,-1.08,;21.36,-1.84,;22.69,-1.08,;21.36,-3.37,;20.04,-4.13,;18.72,-3.37,;20.8,-5.45,;22.32,-5.46,;23.08,-6.78,;23.09,-4.13,;19.28,-5.45,;20.04,-6.77,;17.75,-5.44,;8.07,-7.76,;9.17,-8.84,;8.78,-10.34,;8,-11.67,;6.47,-11.66,;5.71,-10.33,;6.47,-9,;8.01,-9.01,;4.8,-11.59,;3.25,-11.43,;2.63,-10.01,;3.53,-8.77,;5.08,-8.93,;5.71,-7.51,;4.56,-6.48,;4.56,-4.92,;3.22,-4.16,;1.88,-4.93,;1.88,-6.48,;3.22,-7.25,;10.31,-10.35,;11.08,-11.69,;12.62,-11.7,;13.4,-10.37,;12.62,-9.02,;11.08,-9.02,)| Show InChI InChI=1S/C23H26N2O.C6H8O7/c1-24-22(17-7-3-2-4-8-17)12-14-23(15-13-22)21-19(11-16-26-23)18-9-5-6-10-20(18)25-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-10,24-25H,11-16H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t22-,23-;	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells by scintillation proximity assay				ACS Med Chem Lett 5: 857-62 (2014) Article DOI: 10.1021/ml500117c BindingDB Entry DOI: 10.7270/Q25140ZK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177947 (US9120797, 45) Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccc(O)cc12)c1ccccc1 |(5.5,-.24,;4.01,.16,;3.61,1.65,;2.92,-.93,;2.15,-2.26,;.61,-2.26,;-.16,-.93,;.61,.4,;2.15,.4,;-.93,-2.26,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,)| Show InChI InChI=1S/C24H28N2O2/c1-26(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(27)8-9-21(20)25-22/h3-9,16,25,27H,10-15H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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 receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM177955 (US9120797, 53) Show SMILES CN(C)C1(Cc2ccccc2)CCC2(CC1)NCCc1c2[nH]c2ccccc12 |(3.6,-.91,;2.11,-.51,;1.71,.98,;1.02,-1.6,;1.79,-2.93,;3.33,-2.93,;4.1,-4.26,;5.64,-4.26,;6.41,-2.93,;5.64,-1.6,;4.1,-1.6,;.25,-2.93,;-1.29,-2.93,;-2.06,-1.6,;-1.29,-.26,;.25,-.26,;-2.83,-2.93,;-4.37,-2.93,;-5.14,-1.6,;-4.37,-.26,;-2.83,-.26,;-2.35,1.2,;-3.6,2.11,;-3.76,3.64,;-5.17,4.26,;-6.41,3.36,;-6.25,1.83,;-4.84,1.2,)| Show InChI InChI=1S/C25H31N3/c1-28(2)24(18-19-8-4-3-5-9-19)13-15-25(16-14-24)23-21(12-17-26-25)20-10-6-7-11-22(20)27-23/h3-11,26-27H,12-18H2,1-2H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	-51.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Gruenenthal GmbH US Patent					Assay Description The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM177925 (US9120797, 23) Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1cccc(F)c1 |(3.98,-.24,;2.5,.16,;2.1,1.65,;1.41,-.93,;.64,-2.26,;-.9,-2.26,;-1.67,-.93,;-.9,.4,;.64,.4,;-2.44,-2.26,;-3.98,-2.26,;-4.75,-.93,;-3.98,.4,;-2.44,.4,;-1.97,1.87,;-3.21,2.77,;-3.37,4.3,;-4.78,4.93,;-6.03,4.03,;-5.87,2.49,;-4.46,1.87,;2.18,-2.26,;1.41,-3.6,;2.18,-4.93,;3.72,-4.93,;4.49,-3.6,;6.03,-3.6,;3.72,-2.26,)| Show InChI InChI=1S/C24H27FN2O/c1-27(2)23(17-6-5-7-18(25)16-17)11-13-24(14-12-23)22-20(10-15-28-24)19-8-3-4-9-21(19)26-22/h3-9,16,26H,10-15H2,1-2H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	-50.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Gruenenthal GmbH US Patent					Assay Description The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177930 (US9120797, 28) Show SMILES CNC1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)| Show InChI InChI=1S/C23H26N2O/c1-24-22(17-7-3-2-4-8-17)12-14-23(15-13-22)21-19(11-16-26-23)18-9-5-6-10-20(18)25-21/h2-10,24-25H,11-16H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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 receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM177916 (US9120797, 14 | US9120797, 15) Show SMILES CC1Cc2c([nH]c3ccccc23)C2(CCC(CC2)(N(C)C)c2ccccc2)O1 |(-3.98,-3.6,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;-.9,-.93,;-.13,-2.26,;1.41,-2.26,;2.18,-.93,;1.41,.4,;-.13,.4,;3.27,.16,;4.75,-.24,;2.87,1.65,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,;-1.67,-2.26,)| Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	-50.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Gruenenthal GmbH US Patent					Assay Description The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50101157 (CHEMBL3326231) Show SMILES CN(C)[C@]1(CC[C@]2(CCCc3c2[nH]c2ccccc32)CC1)c1ccccc1 |r,wU:3.2,wD:6.6,(24.76,-23.84,;23.27,-24.25,;22.17,-23.17,;22.88,-25.75,;22.1,-27.07,;20.58,-27.07,;19.81,-25.74,;18.9,-27,;17.36,-26.84,;16.74,-25.42,;17.64,-24.17,;19.18,-24.34,;19.81,-22.92,;18.67,-21.89,;18.66,-20.34,;17.33,-19.57,;16,-20.34,;15.99,-21.89,;17.33,-22.66,;20.58,-24.41,;22.11,-24.42,;24.41,-25.76,;25.17,-27.1,;26.71,-27.11,;27.49,-25.77,;26.72,-24.43,;25.18,-24.43,)| Show InChI InChI=1S/C25H30N2/c1-27(2)25(19-9-4-3-5-10-19)17-15-24(16-18-25)14-8-12-21-20-11-6-7-13-22(20)26-23(21)24/h3-7,9-11,13,26H,8,12,14-18H2,1-2H3/t24-,25+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells by scintillation proximity assay				ACS Med Chem Lett 5: 857-62 (2014) Article DOI: 10.1021/ml500117c BindingDB Entry DOI: 10.7270/Q25140ZK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177903 (US9120797, 1 | US9120797, 2 | US9120797, 3) Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)| Show InChI InChI=1S/C24H28N2O/c1-26(2)23(18-8-4-3-5-9-18)13-15-24(16-14-23)22-20(12-17-27-24)19-10-6-7-11-21(19)25-22/h3-11,25H,12-17H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.30	-50.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM177930 (US9120797, 28) Show SMILES CNC1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)| Show InChI InChI=1S/C23H26N2O/c1-24-22(17-7-3-2-4-8-17)12-14-23(15-13-22)21-19(11-16-26-23)18-9-5-6-10-20(18)25-21/h2-10,24-25H,11-16H2,1H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.40	-50.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Gruenenthal GmbH US Patent					Assay Description The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM177936 (US9120797, 34) Show SMILES CN(C)C1(CCC2(CC1)NCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |(5.5,-.24,;4.01,.16,;3.61,1.65,;2.92,-.93,;2.15,-2.26,;.61,-2.26,;-.16,-.93,;.61,.4,;2.15,.4,;-.93,-2.26,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,)| Show InChI InChI=1S/C24H28FN3/c1-28(2)24(17-6-4-3-5-7-17)13-11-23(12-14-24)22-19(10-15-26-23)20-16-18(25)8-9-21(20)27-22/h3-9,16,26-27H,10-15H2,1-2H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.40	-50.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Gruenenthal GmbH US Patent					Assay Description The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177926 (US9120797, 24 | US9120797, 25) Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |(5.5,-.24,;4.01,.16,;3.61,1.65,;2.92,-.93,;2.15,-2.26,;.61,-2.26,;-.16,-.93,;.61,.4,;2.15,.4,;-.93,-2.26,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,)| Show InChI InChI=1S/C24H27FN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	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 receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM177947 (US9120797, 45) Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccc(O)cc12)c1ccccc1 |(5.5,-.24,;4.01,.16,;3.61,1.65,;2.92,-.93,;2.15,-2.26,;.61,-2.26,;-.16,-.93,;.61,.4,;2.15,.4,;-.93,-2.26,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,)| Show InChI InChI=1S/C24H28N2O2/c1-26(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(27)8-9-21(20)25-22/h3-9,16,25,27H,10-15H2,1-2H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.60	-50.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Gruenenthal GmbH US Patent					Assay Description The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177934 (US9120797, 32) Show SMILES CN(C)C1(CCC2(CC1)N(CCc1c2[nH]c2cc(F)ccc12)C(C)=O)c1ccccc1 |(4.75,-.98,;3.27,-.59,;2.87,.9,;2.18,-1.67,;1.41,-3.01,;-.13,-3.01,;-.9,-1.67,;-.13,-.34,;1.41,-.34,;-1.67,-3.01,;-3.21,-3.01,;-3.98,-1.67,;-3.21,-.34,;-1.67,-.34,;-1.2,1.12,;-2.44,2.03,;-2.6,3.56,;-4.01,4.19,;-4.41,5.68,;-5.26,3.28,;-5.1,1.75,;-3.69,1.12,;-.9,-4.34,;-1.67,-5.68,;.64,-4.34,;2.95,-3.01,;2.18,-4.34,;2.95,-5.68,;4.49,-5.68,;5.26,-4.34,;4.49,-3.01,)| Show InChI InChI=1S/C26H30FN3O/c1-18(31)30-16-11-22-21-10-9-20(27)17-23(21)28-24(22)26(30)14-12-25(13-15-26,29(2)3)19-7-5-4-6-8-19/h4-10,17,28H,11-16H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70	-50.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50100986 (CHEMBL3325747) Show SMILES Cl.CN(C)[C@@]1(CC[C@@](O)(CCc2ccccc2)CC1)c1ccccc1 |r,wU:4.2,wD:7.7,(40.86,-10.61,;38.57,-8.8,;37.23,-8.03,;37.23,-6.49,;35.9,-8.81,;35.12,-7.48,;33.58,-7.48,;32.82,-8.82,;31.48,-8.05,;31.49,-9.59,;31.5,-11.12,;30.17,-11.91,;28.83,-11.15,;27.51,-11.93,;27.52,-13.47,;28.87,-14.23,;30.19,-13.45,;33.59,-10.14,;35.13,-10.14,;36.69,-10.13,;35.95,-11.47,;36.75,-12.79,;38.29,-12.76,;39.03,-11.4,;38.23,-10.09,)| Show InChI InChI=1S/C22H29NO/c1-23(2)22(20-11-7-4-8-12-20)17-15-21(24,16-18-22)14-13-19-9-5-3-6-10-19/h3-12,24H,13-18H2,1-2H3/t21-,22+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]Naloxone from human mu opioid receptor receptor expressed in CHO-K1 cells after 90 mins				ACS Med Chem Lett 5: 851-6 (2014) Article DOI: 10.1021/ml500116x BindingDB Entry DOI: 10.7270/Q28S4RPM
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50100993 (CHEMBL3325881) Show SMILES Cl.CN(C)[C@]1(CC[C@@H](CC1)NC(=O)NCCCc1ccccc1)c1ccccc1 |r,wU:4.2,wD:7.9,(11.38,-21.45,;17.64,-17.11,;16.3,-16.34,;16.3,-14.8,;14.96,-17.12,;14.2,-18.45,;12.65,-18.46,;11.88,-17.13,;12.65,-15.79,;14.19,-15.79,;10.33,-17.13,;9.57,-18.46,;10.36,-19.8,;8.03,-18.48,;7.27,-19.82,;5.73,-19.82,;4.97,-21.15,;3.43,-21.17,;2.65,-19.84,;1.11,-19.85,;.35,-21.19,;1.14,-22.52,;2.67,-22.5,;15.76,-18.44,;15.02,-19.79,;15.81,-21.11,;17.36,-21.08,;18.1,-19.72,;17.3,-18.4,)| Show InChI InChI=1S/C24H33N3O/c1-27(2)24(21-13-7-4-8-14-21)17-15-22(16-18-24)26-23(28)25-19-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14,22H,9,12,15-19H2,1-2H3,(H2,25,26,28)/t22-,24-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins				ACS Med Chem Lett 5: 851-6 (2014) Article DOI: 10.1021/ml500116x BindingDB Entry DOI: 10.7270/Q28S4RPM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50101157 (CHEMBL3326231) Show SMILES CN(C)[C@]1(CC[C@]2(CCCc3c2[nH]c2ccccc32)CC1)c1ccccc1 |r,wU:3.2,wD:6.6,(24.76,-23.84,;23.27,-24.25,;22.17,-23.17,;22.88,-25.75,;22.1,-27.07,;20.58,-27.07,;19.81,-25.74,;18.9,-27,;17.36,-26.84,;16.74,-25.42,;17.64,-24.17,;19.18,-24.34,;19.81,-22.92,;18.67,-21.89,;18.66,-20.34,;17.33,-19.57,;16,-20.34,;15.99,-21.89,;17.33,-22.66,;20.58,-24.41,;22.11,-24.42,;24.41,-25.76,;25.17,-27.1,;26.71,-27.11,;27.49,-25.77,;26.72,-24.43,;25.18,-24.43,)| Show InChI InChI=1S/C25H30N2/c1-27(2)25(19-9-4-3-5-10-19)17-15-24(16-18-25)14-8-12-21-20-11-6-7-13-22(20)26-23(21)24/h3-7,9-11,13,26H,8,12,14-18H2,1-2H3/t24-,25+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from human MOP receptor expressed in CHO-K1 cells by scintillation proximity assay				ACS Med Chem Lett 5: 857-62 (2014) Article DOI: 10.1021/ml500117c BindingDB Entry DOI: 10.7270/Q25140ZK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50101097 (CHEMBL3325959) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:15.13,wD:18.20,(31.05,-21.3,;32.37,-22.06,;33.7,-21.3,;32.37,-23.59,;31.05,-24.35,;29.73,-23.59,;31.81,-25.67,;33.33,-25.68,;34.09,-27,;34.1,-24.36,;30.29,-25.67,;31.05,-26.99,;28.76,-25.66,;22.12,-24.26,;23.22,-25.34,;22.83,-26.85,;22.05,-28.17,;20.52,-28.17,;19.76,-26.83,;20.52,-25.5,;22.06,-25.51,;18.85,-28.09,;17.31,-27.93,;16.68,-26.52,;17.59,-25.27,;19.13,-25.43,;19.76,-24.02,;18.61,-22.98,;18.61,-21.42,;17.27,-20.66,;15.94,-21.43,;14.6,-20.66,;15.93,-22.98,;17.27,-23.75,;24.36,-26.85,;25.13,-28.2,;26.67,-28.2,;27.45,-26.87,;26.68,-25.52,;25.14,-25.52,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from human MOP receptor expressed in CHO-K1 cells by scintillation proximity assay				ACS Med Chem Lett 5: 857-62 (2014) Article DOI: 10.1021/ml500117c BindingDB Entry DOI: 10.7270/Q25140ZK
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50100982 (CHEMBL3326225) Show SMILES CN(C)[C@]1(CC[C@@H](CC1)OCCc1c[nH]c2ccccc12)c1ccccc1 |r,wU:3.2,wD:6.9,(31.51,-13.84,;30.17,-13.07,;30.17,-11.53,;28.84,-13.84,;28.07,-15.17,;26.53,-15.18,;25.76,-13.85,;26.53,-12.52,;28.07,-12.51,;24.22,-13.85,;23.42,-15.17,;21.88,-15.14,;21.08,-16.46,;21.68,-17.88,;20.51,-18.89,;19.2,-18.09,;17.73,-18.54,;16.61,-17.49,;16.95,-15.98,;18.43,-15.54,;19.55,-16.59,;29.64,-15.16,;28.89,-16.51,;29.69,-17.83,;31.23,-17.8,;31.97,-16.44,;31.17,-15.12,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells at 1 uM after 90 mins				ACS Med Chem Lett 5: 851-6 (2014) Article DOI: 10.1021/ml500116x BindingDB Entry DOI: 10.7270/Q28S4RPM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177915 (US9120797, 13) Show SMILES COc1ccc2[nH]c3c(CCOC33CCC(CC3)(N(C)C)c3ccccc3)c2c1 |(-6.55,3.34,;-5.46,4.42,;-3.97,4.03,;-2.72,4.93,;-1.32,4.3,;-1.15,2.77,;.09,1.87,;-.38,.4,;-1.92,.4,;-2.69,-.93,;-1.92,-2.26,;-.38,-2.26,;.39,-.93,;1.16,-2.26,;2.7,-2.26,;3.47,-.93,;2.7,.4,;1.16,.4,;4.55,.16,;6.04,-.24,;4.16,1.65,;4.24,-2.26,;3.47,-3.6,;4.24,-4.93,;5.78,-4.93,;6.55,-3.6,;5.78,-2.26,;-2.4,1.87,;-3.81,2.49,)| Show InChI InChI=1S/C25H30N2O2/c1-27(2)24(18-7-5-4-6-8-18)12-14-25(15-13-24)23-20(11-16-29-25)21-17-19(28-3)9-10-22(21)26-23/h4-10,17,26H,11-16H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	-49.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 148 total )  |  Next  |  Last  >>

Jump to: