Found 1923 hits with Last Name = 'koenig' and Initial = 'm' 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)) | BDBM464662
(CIS-1-(Cyclopropyl-methyl)-8-dimethylamino-8-pheny...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(C)(C)N3CCCS3(=O)=O)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(5.39,-23.23,;3.85,-23.23,;3.08,-21.9,;3.08,-24.57,;2.31,-25.9,;.77,-25.9,;-0,-24.57,;-.91,-23.32,;-2.37,-23.8,;-3.71,-23.03,;-5.04,-23.8,;-5.81,-25.13,;-4.27,-25.13,;-6.37,-23.03,;-7.84,-23.5,;-8.74,-22.26,;-7.84,-21.01,;-6.37,-21.49,;-6.37,-19.95,;-4.89,-21.09,;-2.37,-25.34,;-3.62,-26.24,;-.91,-25.81,;-.43,-27.28,;-1.46,-28.42,;.03,-28.82,;-3,-28.42,;-3,-29.96,;-1.46,-29.96,;.77,-23.23,;2.31,-23.23,;3.85,-25.9,;3.08,-27.23,;3.85,-28.57,;5.39,-28.57,;6.16,-27.23,;5.39,-25.9,)| Show InChI InChI=1S/C28H44N4O4S/c1-25(2,32-18-9-19-37(32,35)36)20-30-21-26(31(24(30)33)22-27(34)12-8-13-27)14-16-28(17-15-26,29(3)4)23-10-6-5-7-11-23/h5-7,10-11,34H,8-9,12-22H2,1-4H3/t26-,28+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRUENENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl. 10 mM M... |
US Patent US10793556 (2020)
BindingDB Entry DOI: 10.7270/Q2XK8JMK |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469875
(CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCc3ccccc3C)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.24,3.2,(-7.28,-9.36,;-6.19,-10.44,;-4.7,-10.05,;-6.59,-11.93,;-6.59,-13.47,;-7.92,-14.24,;-9.26,-13.47,;-10.55,-12.63,;-11.75,-13.6,;-13.23,-13.2,;-14.32,-14.29,;-13.92,-15.78,;-15.81,-13.89,;-16.9,-14.98,;-18.39,-14.58,;-19.47,-15.67,;-20.96,-15.27,;-21.36,-13.79,;-20.27,-12.7,;-18.78,-13.1,;-17.7,-12.01,;-11.19,-15.04,;-11.96,-16.37,;-9.66,-14.96,;-8.57,-16.05,;-8.97,-17.54,;-10.3,-18.31,;-9.53,-19.64,;-8.2,-18.87,;-9.26,-11.93,;-7.92,-11.16,;-5.1,-12.33,;-4.7,-13.82,;-3.22,-14.22,;-2.13,-13.13,;-2.53,-11.64,;-4.01,-11.24,)| Show InChI InChI=1S/C31H42N4O2/c1-24-10-7-8-13-26(24)20-32-28(36)22-34-23-30(35(29(34)37)21-25-11-9-12-25)16-18-31(19-17-30,33(2)3)27-14-5-4-6-15-27/h4-8,10,13-15,25H,9,11-12,16-23H2,1-3H3,(H,32,36)/t30-,31+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM472033
(US10829480, Example SC_2061)Show SMILES CN(C)[C@]1(CC[C@]2(CN(Cc3cccnc3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.19,3.2,(-9.65,-1.19,;-8.88,-2.52,;-7.34,-2.52,;-9.65,-3.86,;-10.42,-5.19,;-11.96,-5.19,;-12.73,-3.86,;-13.63,-2.61,;-15.09,-3.09,;-16.43,-2.32,;-17.76,-3.09,;-19.1,-2.32,;-20.43,-3.09,;-20.43,-4.63,;-19.1,-5.4,;-17.76,-4.63,;-15.09,-4.63,;-16.43,-5.4,;-13.63,-5.1,;-13.23,-6.59,;-14.32,-7.68,;-15.86,-7.68,;-15.86,-9.22,;-14.32,-9.22,;-11.96,-2.52,;-10.42,-2.52,;-8.88,-5.19,;-9.65,-6.52,;-8.88,-7.86,;-7.34,-7.86,;-6.57,-6.52,;-7.34,-5.19,)| Show InChI InChI=1S/C27H36N4O/c1-29(2)27(24-11-4-3-5-12-24)15-13-26(14-16-27)21-30(19-23-10-7-17-28-18-23)25(32)31(26)20-22-8-6-9-22/h3-5,7,10-12,17-18,22H,6,8-9,13-16,19-21H2,1-2H3/t26-,27+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRUENENTHAL GMBH
US Patent
| Assay Description
Mu-Opioid Peptide (hMOP): The hMOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buff... |
US Patent US10829480 (2020)
BindingDB Entry DOI: 10.7270/Q2SB48SB |
More data for this
Ligand-Target Pair | |
Prepronociceptin
(Human) | BDBM464503
(US10793528, Example SC_5078)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(C)(C)C(N)=O)C(=O)N2CC2(CCC2)C#N)CC1)c1ccccc1 |r,wU:6.18,3.2,(4.48,3.79,;4.48,2.25,;5.9,1.66,;3.39,1.16,;2.62,-.18,;1.08,-.18,;.31,1.16,;-.59,2.4,;-2.06,1.93,;-3.39,2.7,;-4.73,1.93,;-5.5,.59,;-3.96,.59,;-6.06,2.7,;-7.39,1.93,;-6.06,4.24,;-2.06,.39,;-3.3,-.52,;-.59,-.09,;-.12,-1.55,;-1.15,-2.7,;-2.69,-2.7,;-2.69,-4.24,;-1.15,-4.24,;.34,-3.1,;1.83,-3.49,;1.08,2.49,;2.62,2.49,;4.73,.39,;4.73,-1.15,;6.06,-1.92,;7.39,-1.15,;7.39,.39,;6.06,1.16,)| Show InChI InChI=1S/C27H39N5O2/c1-24(2,22(29)33)18-31-20-26(32(23(31)34)19-25(17-28)11-8-12-25)13-15-27(16-14-26,30(3)4)21-9-6-5-7-10-21/h5-7,9-10H,8,11-16,18-20H2,1-4H3,(H2,29,33)/t26-,27+ | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
NOP:The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl. 10 ... |
US Patent US10793528 (2020)
BindingDB Entry DOI: 10.7270/Q2Q243B2 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469999
(CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cncnc3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(-4.1,21.01,;-5.59,21.41,;-5.99,22.9,;-6.68,20.32,;-7.45,18.99,;-8.99,18.99,;-9.76,20.32,;-10.67,21.57,;-12.13,21.09,;-13.22,22.18,;-14.71,21.78,;-15.11,20.3,;-15.8,22.87,;-17.28,22.47,;-17.68,20.99,;-19.17,20.59,;-20.26,21.68,;-19.86,23.16,;-18.37,23.56,;-12.13,19.55,;-13.46,18.78,;-10.67,19.08,;-9.9,17.74,;-10.67,16.41,;-12.15,16.01,;-11.76,14.52,;-10.27,14.92,;-8.99,21.66,;-7.45,21.66,;-5.59,19.23,;-5.99,17.75,;-4.9,16.66,;-3.41,17.06,;-3.02,18.54,;-4.1,19.63,)| Show InChI InChI=1S/C27H36N6O2/c1-31(2)27(22-9-4-3-5-10-22)13-11-26(12-14-27)19-32(25(35)33(26)17-21-7-6-8-21)18-24(34)30-23-15-28-20-29-16-23/h3-5,9-10,15-16,20-21H,6-8,11-14,17-19H2,1-2H3,(H,30,34)/t26-,27+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM472009
(CIS-1-(Cyclobutyl-methyl)-8-dimethylamino-8-phenyl...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(Cc3cccnc3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.19,3.2,(-9.05,-2.42,;-8.28,-3.76,;-6.74,-3.76,;-9.05,-5.09,;-9.82,-6.42,;-11.36,-6.42,;-12.13,-5.09,;-13.04,-3.84,;-14.5,-4.32,;-15.84,-3.55,;-17.17,-4.32,;-17.17,-5.86,;-18.51,-6.63,;-19.84,-5.86,;-19.84,-4.32,;-18.51,-3.55,;-14.5,-5.86,;-15.84,-6.63,;-13.04,-6.34,;-12.27,-7.67,;-13.36,-8.76,;-14.9,-8.76,;-14.9,-10.3,;-13.36,-10.3,;-11.36,-3.76,;-9.82,-3.76,;-8.28,-6.42,;-9.05,-7.76,;-8.28,-9.09,;-6.74,-9.09,;-5.97,-7.76,;-6.74,-6.42,)| Show InChI InChI=1S/C27H36N4O/c1-29(2)27(24-11-4-3-5-12-24)15-13-26(14-16-27)21-30(19-23-10-7-17-28-18-23)25(32)31(26)20-22-8-6-9-22/h3-5,7,10-12,17-18,22H,6,8-9,13-16,19-21H2,1-2H3/t26-,27+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRUENENTHAL GMBH
US Patent
| Assay Description
Mu-Opioid Peptide (hMOP): The hMOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buff... |
US Patent US10829480 (2020)
BindingDB Entry DOI: 10.7270/Q2SB48SB |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM471982
(CIS-2-[[1-(Cyclobutyl-methyl)-8-dimethylamino-2-ox...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(Cc3ccccc3C(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(13.3,8.59,;13.7,7.1,;15.19,6.7,;12.61,6.01,;11.84,4.68,;10.3,4.68,;9.53,6.01,;8.63,7.26,;7.16,6.78,;5.83,7.55,;4.5,6.78,;4.5,5.24,;3.16,4.47,;1.83,5.24,;1.83,6.78,;3.16,7.55,;3.16,9.09,;4.5,9.86,;1.83,9.86,;7.16,5.24,;5.83,4.47,;8.63,4.76,;9.03,3.28,;7.94,2.19,;6.4,2.19,;6.4,.65,;7.94,.65,;10.3,7.34,;11.84,7.34,;13.7,4.92,;13.7,3.38,;15.03,2.61,;16.37,3.38,;16.37,4.92,;15.04,5.69,)| Show InChI InChI=1S/C29H38N4O2/c1-31(2)29(24-12-4-3-5-13-24)17-15-28(16-18-29)21-32(27(35)33(28)19-22-9-8-10-22)20-23-11-6-7-14-25(23)26(30)34/h3-7,11-14,22H,8-10,15-21H2,1-2H3,(H2,30,34)/t28-,29+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRUENENTHAL GMBH
US Patent
| Assay Description
Mu-Opioid Peptide (hMOP): The hMOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buff... |
US Patent US10829480 (2020)
BindingDB Entry DOI: 10.7270/Q2SB48SB |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469858
(CIS-N-(4-Cyano-5-methylsulfanyl-1H-pyrazol-3-yl)-2...)Show SMILES CSc1[nH]nc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)c1C#N |r,wU:15.18,12.28,(19.85,-25.97,;18.31,-25.97,;17.54,-27.3,;18.17,-28.71,;17.02,-29.74,;15.69,-28.97,;14.2,-29.37,;13.11,-28.28,;13.51,-26.79,;11.62,-28.68,;10.54,-27.59,;9.07,-28.06,;8.17,-26.82,;7.4,-25.48,;5.86,-25.48,;5.09,-26.82,;5.86,-28.15,;7.4,-28.15,;4,-27.91,;2.51,-27.51,;4.39,-29.39,;4,-25.73,;4.39,-24.24,;3.31,-23.15,;1.82,-23.55,;1.42,-25.04,;2.51,-26.13,;9.07,-25.57,;8.67,-24.08,;9.76,-22.99,;11.3,-22.99,;11.3,-21.45,;9.76,-21.45,;10.54,-26.05,;11.62,-24.96,;16.01,-27.46,;15.24,-26.13,;13.7,-26.13,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469848
(CIS-6-[[2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cccc(n3)C(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.25,3.2,(20.47,-25.11,;18.98,-24.71,;18.58,-23.22,;17.89,-25.8,;17.12,-27.13,;15.58,-27.13,;14.81,-25.8,;13.9,-24.55,;12.44,-25.03,;11.11,-24.26,;9.77,-25.03,;9.77,-26.57,;8.44,-24.26,;7.1,-25.03,;7.1,-26.57,;5.77,-27.34,;4.44,-26.57,;4.44,-25.03,;5.77,-24.26,;3.1,-24.26,;1.77,-25.03,;3.1,-22.72,;12.44,-26.57,;11.11,-27.34,;13.9,-27.05,;14.3,-28.53,;13.21,-29.62,;11.67,-29.62,;11.67,-31.16,;13.21,-31.16,;15.58,-24.47,;17.12,-24.47,;19.22,-26.57,;19.22,-28.11,;20.56,-28.88,;21.89,-28.11,;21.89,-26.57,;20.56,-25.8,)| Show InChI InChI=1S/C29H38N6O3/c1-33(2)29(22-10-4-3-5-11-22)16-14-28(15-17-29)20-34(27(38)35(28)18-21-8-6-9-21)19-25(36)32-24-13-7-12-23(31-24)26(30)37/h3-5,7,10-13,21H,6,8-9,14-20H2,1-2H3,(H2,30,37)(H,31,32,36)/t28-,29+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469822
(CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccc(cn3)S(C)(=O)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.26,3.2,(-2.76,30.22,;-4.25,30.62,;-4.65,32.11,;-5.34,29.53,;-6.11,28.2,;-7.65,28.2,;-8.42,29.53,;-9.32,30.78,;-10.79,30.3,;-11.88,31.39,;-13.36,30.99,;-13.76,29.5,;-14.45,32.08,;-15.94,31.68,;-16.34,30.2,;-17.83,29.8,;-18.92,30.89,;-18.52,32.37,;-17.03,32.77,;-20.4,30.49,;-20,29,;-21.89,30.09,;-20.8,31.97,;-10.79,28.76,;-12.12,27.99,;-9.32,28.29,;-8.92,26.8,;-10.01,25.71,;-11.55,25.71,;-11.55,24.17,;-10.01,24.17,;-7.65,30.87,;-6.11,30.87,;-4.25,28.44,;-4.65,26.96,;-3.56,25.87,;-2.07,26.27,;-1.67,27.75,;-2.76,28.84,)| Show InChI InChI=1S/C29H39N5O4S/c1-32(2)29(23-10-5-4-6-11-23)16-14-28(15-17-29)21-33(27(36)34(28)19-22-8-7-9-22)20-26(35)31-25-13-12-24(18-30-25)39(3,37)38/h4-6,10-13,18,22H,7-9,14-17,19-21H2,1-3H3,(H,30,31,35)/t28-,29+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469884
(CIS-1-(Cyclobutyl-methyl)-8-dimethylamino-3-[2-(1,...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3CCS(=O)(=O)CC3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(15.69,4.95,;16.08,3.47,;17.57,3.07,;15,2.38,;14.23,1.04,;12.69,1.04,;11.92,2.38,;11.01,3.62,;9.55,3.15,;8.21,3.92,;6.88,3.15,;6.88,1.61,;5.54,3.92,;5.54,5.46,;4.21,6.23,;2.88,5.46,;1.54,4.69,;2.48,6.95,;2.88,3.92,;4.21,3.15,;9.55,1.61,;8.21,.84,;11.01,1.13,;11.41,-.36,;10.32,-1.44,;8.78,-1.44,;8.78,-2.98,;10.32,-2.98,;12.69,3.71,;14.23,3.71,;16.33,1.61,;16.33,.07,;17.66,-.7,;19,.07,;19,1.61,;17.66,2.38,)| Show InChI InChI=1S/C27H40N4O4S/c1-28(2)27(23-9-4-3-5-10-23)13-11-26(12-14-27)21-30(25(33)31(26)19-22-7-6-8-22)20-24(32)29-15-17-36(34,35)18-16-29/h3-5,9-10,22H,6-8,11-21H2,1-2H3/t26-,27+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM472098
(CIS-1-(Cyclobutyl-methyl)-8-dimethylamino-3-[(3-me...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(Cc3cccc(c3)S(C)(=O)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(16.32,28.25,;17.09,26.91,;18.63,26.91,;16.32,25.58,;15.55,24.25,;14.01,24.25,;13.24,25.58,;12.34,26.82,;10.87,26.35,;9.54,27.12,;8.2,26.35,;8.2,24.81,;6.87,24.04,;5.54,24.81,;5.54,26.35,;6.87,27.12,;4.2,27.12,;2.87,26.35,;2.87,27.89,;5.54,27.89,;10.87,24.81,;9.54,24.04,;12.34,24.33,;12.73,22.85,;11.65,21.76,;10.11,21.76,;10.11,20.22,;11.65,20.22,;14.01,26.91,;15.55,26.91,;17.09,24.25,;16.32,22.91,;17.09,21.58,;18.63,21.58,;19.4,22.91,;18.63,24.25,)| Show InChI InChI=1S/C29H39N3O3S/c1-30(2)29(25-12-5-4-6-13-25)17-15-28(16-18-29)22-31(27(33)32(28)21-23-9-7-10-23)20-24-11-8-14-26(19-24)36(3,34)35/h4-6,8,11-14,19,23H,7,9-10,15-18,20-22H2,1-3H3/t28-,29+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRUENENTHAL GMBH
US Patent
| Assay Description
Mu-Opioid Peptide (hMOP): The hMOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buff... |
US Patent US10829480 (2020)
BindingDB Entry DOI: 10.7270/Q2SB48SB |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469908
(CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cccc(n3)S(C)(=O)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.26,(16.98,31.77,;17.75,30.44,;19.29,30.44,;16.98,29.1,;16.21,27.77,;14.67,27.77,;13.9,29.1,;13,30.35,;11.53,29.87,;10.2,30.64,;8.87,29.87,;8.87,28.33,;7.53,30.64,;6.2,29.87,;6.2,28.33,;4.87,27.56,;3.53,28.33,;3.53,29.87,;4.87,30.64,;2.2,30.64,;.87,29.87,;1.11,31.73,;3.29,31.73,;11.53,28.33,;10.2,27.56,;13,27.86,;13.4,26.37,;12.31,25.28,;10.77,25.28,;10.77,23.74,;12.31,23.74,;14.67,30.44,;16.21,30.44,;17.75,27.77,;16.98,26.44,;17.75,25.1,;19.29,25.1,;20.06,26.44,;19.29,27.77,)| Show InChI InChI=1S/C29H39N5O4S/c1-32(2)29(23-11-5-4-6-12-23)17-15-28(16-18-29)21-33(27(36)34(28)19-22-9-7-10-22)20-25(35)30-24-13-8-14-26(31-24)39(3,37)38/h4-6,8,11-14,22H,7,9-10,15-21H2,1-3H3,(H,30,31,35)/t28-,29+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469922
(CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCCS(C)(=O)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.21,(17.11,-6.79,;17.5,-8.28,;18.99,-8.68,;16.42,-9.37,;15.65,-10.7,;14.11,-10.7,;13.34,-9.37,;12.43,-8.12,;10.97,-8.6,;9.63,-7.83,;8.3,-8.6,;8.3,-10.14,;6.96,-7.83,;5.63,-8.6,;4.3,-7.83,;2.96,-8.6,;1.63,-7.83,;1.87,-9.69,;4.05,-9.69,;10.97,-10.14,;9.63,-10.91,;12.43,-10.62,;12.83,-12.1,;11.74,-13.19,;10.2,-13.19,;10.2,-14.73,;11.74,-14.73,;14.11,-8.04,;15.65,-8.04,;17.75,-10.14,;17.75,-11.68,;19.08,-12.45,;20.42,-11.68,;20.42,-10.14,;19.08,-9.37,)| Show InChI InChI=1S/C26H40N4O4S/c1-28(2)26(22-10-5-4-6-11-22)14-12-25(13-15-26)20-29(19-23(31)27-16-17-35(3,33)34)24(32)30(25)18-21-8-7-9-21/h4-6,10-11,21H,7-9,12-20H2,1-3H3,(H,27,31)/t25-,26+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM470043
(CIS-8-Dimethylamino-1-[(1-hydroxy-cyclobutyl)-meth...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3CCC(CC3)S(C)(=O)=O)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.25,3.2,(-5.65,-21.92,;-4.88,-23.25,;-3.34,-23.25,;-5.65,-24.59,;-6.42,-25.92,;-7.96,-25.92,;-8.73,-24.59,;-9.63,-23.34,;-11.1,-23.82,;-12.43,-23.05,;-13.76,-23.82,;-13.76,-25.36,;-15.1,-23.05,;-15.1,-21.51,;-16.43,-20.74,;-17.76,-21.51,;-17.76,-23.05,;-16.43,-23.82,;-19.1,-20.74,;-20.43,-21.51,;-19.87,-19.4,;-18.33,-19.4,;-11.1,-25.36,;-12.43,-26.13,;-9.63,-25.83,;-8.86,-27.17,;-9.95,-28.26,;-8.62,-29.03,;-11.49,-28.26,;-11.49,-29.8,;-9.95,-29.8,;-7.96,-23.25,;-6.42,-23.25,;-4.88,-25.92,;-5.65,-27.25,;-4.88,-28.59,;-3.34,-28.59,;-2.57,-27.25,;-3.34,-25.92,)| Show InChI InChI=1S/C29H44N4O5S/c1-30(2)29(23-8-5-4-6-9-23)16-14-27(15-17-29)21-32(26(35)33(27)22-28(36)12-7-13-28)20-25(34)31-18-10-24(11-19-31)39(3,37)38/h4-6,8-9,24,36H,7,10-22H2,1-3H3/t27-,29+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM470037
(CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-8-(3-...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)N(C)CCO)C(=O)N2CC2CCC2)CC1)c1cccc(F)c1 |r,wU:6.19,3.2,(-8.72,17.65,;-7.95,16.31,;-6.41,16.31,;-8.72,14.98,;-9.49,13.65,;-11.03,13.65,;-11.8,14.98,;-12.71,16.23,;-14.17,15.75,;-15.26,16.84,;-16.75,16.44,;-17.15,14.95,;-17.84,17.53,;-17.44,19.02,;-19.32,17.13,;-20.41,18.22,;-19.64,19.55,;-14.17,14.21,;-15.5,13.44,;-12.71,13.74,;-12.31,12.25,;-13.4,11.16,;-14.94,11.16,;-14.94,9.62,;-13.4,9.62,;-11.03,16.31,;-9.49,16.31,;-7.95,13.65,;-8.72,12.31,;-7.95,10.98,;-6.41,10.98,;-5.64,12.31,;-4.1,12.31,;-6.41,13.65,)| Show InChI InChI=1S/C26H39FN4O3/c1-28(2)26(21-8-5-9-22(27)16-21)12-10-25(11-13-26)19-30(18-23(33)29(3)14-15-32)24(34)31(25)17-20-6-4-7-20/h5,8-9,16,20,32H,4,6-7,10-15,17-19H2,1-3H3/t25-,26+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469854
(CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3nccs3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.21,3.2,(13.06,5.68,;14.14,4.59,;15.63,4.99,;13.75,3.1,;13.75,1.56,;12.41,.79,;11.08,1.56,;9.79,2.4,;8.59,1.43,;7.1,1.83,;6.01,.74,;6.41,-.74,;4.53,1.14,;3.44,.05,;1.9,.05,;1.42,-1.41,;2.67,-2.32,;3.91,-1.41,;9.14,-0,;8.37,-1.34,;10.68,.08,;11.77,-1.01,;11.37,-2.5,;10.04,-3.27,;10.81,-4.6,;12.14,-3.83,;11.08,3.1,;12.41,3.87,;15.23,2.7,;15.63,1.22,;17.12,.82,;18.21,1.91,;17.81,3.4,;16.32,3.79,)| Show InChI InChI=1S/C26H35N5O2S/c1-29(2)26(21-9-4-3-5-10-21)13-11-25(12-14-26)19-30(18-22(32)28-23-27-15-16-34-23)24(33)31(25)17-20-7-6-8-20/h3-5,9-10,15-16,20H,6-8,11-14,17-19H2,1-2H3,(H,27,28,32)/t25-,26+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Prepronociceptin
(Human) | BDBM464494
(US10793528, Example SC_5069)Show SMILES CCN[C@]1(CC[C@]2(CN(CC(C)(C)C(N)=O)C(=O)N2)CC1)c1ccccc1 |r,wU:6.18,3.2,(4.61,4,;3.84,2.67,;4.61,1.33,;3.84,,;3.07,-1.33,;1.53,-1.33,;.76,,;-.15,1.25,;-1.61,.77,;-2.86,1.68,;-4.26,1.05,;-4.43,-.48,;-5.67,.42,;-5.51,1.95,;-6.92,1.33,;-5.35,3.49,;-1.61,-.77,;-2.86,-1.68,;-.15,-1.25,;1.53,1.33,;3.07,1.33,;4.61,-1.33,;3.84,-2.67,;4.61,-4,;6.15,-4,;6.92,-2.67,;6.15,-1.33,)| Show InChI InChI=1S/C21H32N4O2/c1-4-23-21(16-8-6-5-7-9-16)12-10-20(11-13-21)15-25(18(27)24-20)14-19(2,3)17(22)26/h5-9,23H,4,10-15H2,1-3H3,(H2,22,26)(H,24,27)/t20-,21+ | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
NOP:The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl. 10 ... |
US Patent US10793528 (2020)
BindingDB Entry DOI: 10.7270/Q2Q243B2 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469785
(CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo...)Show SMILES COc1cccc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)n1 |r,wU:13.29,16.19,(.96,9.11,;2.29,9.88,;3.63,9.11,;3.63,7.57,;4.96,6.8,;6.29,7.57,;6.29,9.11,;7.63,9.88,;8.96,9.11,;8.96,7.57,;10.29,9.88,;11.63,9.11,;13.09,9.59,;14,8.34,;14.77,7.01,;16.31,7.01,;17.08,8.34,;16.31,9.67,;14.77,9.67,;18.17,9.43,;17.77,10.92,;19.65,9.03,;18.41,7.57,;18.41,6.03,;19.74,5.26,;21.08,6.03,;21.08,7.57,;19.74,8.34,;13.09,7.09,;13.49,5.61,;12.4,4.52,;10.86,4.52,;10.86,2.98,;12.4,2.98,;11.63,7.57,;10.29,6.8,;4.96,9.88,)| Show InChI InChI=1S/C29H39N5O3/c1-32(2)29(23-11-5-4-6-12-23)17-15-28(16-18-29)21-33(27(36)34(28)19-22-9-7-10-22)20-25(35)30-24-13-8-14-26(31-24)37-3/h4-6,8,11-14,22H,7,9-10,15-21H2,1-3H3,(H,30,31,35)/t28-,29+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469842
(CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo...)Show SMILES COc1ncc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)cn1 |r,wU:12.28,15.18,(.82,10.63,;.82,12.17,;2.16,12.94,;3.49,12.17,;4.83,12.94,;4.83,14.48,;6.16,15.25,;7.49,14.48,;7.49,12.94,;8.83,15.25,;10.16,14.48,;11.62,14.96,;12.53,13.71,;13.3,12.38,;14.84,12.38,;15.61,13.71,;14.84,15.05,;13.3,15.05,;16.7,14.8,;18.19,14.4,;16.3,16.29,;16.94,12.94,;16.94,11.4,;18.28,10.63,;19.61,11.4,;19.61,12.94,;18.28,13.71,;11.62,12.47,;12.02,10.98,;10.93,9.89,;9.39,9.89,;9.39,8.35,;10.93,8.35,;10.16,12.94,;8.83,12.17,;3.49,15.25,;2.16,14.48,)| Show InChI InChI=1S/C28H38N6O3/c1-32(2)28(22-10-5-4-6-11-22)14-12-27(13-15-28)20-33(26(36)34(27)18-21-8-7-9-21)19-24(35)31-23-16-29-25(37-3)30-17-23/h4-6,10-11,16-17,21H,7-9,12-15,18-20H2,1-3H3,(H,31,35)/t27-,28+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM464637
(CIS-8-Dimethylamino-1,3-bis(2-methylsulfonyl-ethyl...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC3CCN(CC3)c3cncnc3)C(=O)N2CC2CC2)CC1)c1ccccc1 |r,wU:6.26,3.2,(7.97,7.93,;6.48,8.33,;6.48,9.87,;5.39,7.24,;4.62,5.91,;3.08,5.91,;2.31,7.24,;1.41,8.49,;-.06,8.01,;-1.39,8.78,;-2.72,8.01,;-4.06,8.78,;-5.39,8.01,;-5.39,6.47,;-4.06,5.7,;-2.72,6.47,;-6.73,5.7,;-8.06,6.47,;-9.39,5.7,;-9.39,4.16,;-8.06,3.39,;-6.73,4.16,;-.06,6.47,;-1.3,5.56,;1.41,5.99,;1.88,4.53,;.85,3.38,;-.61,2.91,;.53,1.88,;3.08,8.57,;4.62,8.57,;6.73,6.47,;6.73,4.93,;8.06,4.16,;9.39,4.93,;9.39,6.47,;8.06,7.24,)| Show InChI InChI=1S/C30H42N6O/c1-33(2)30(26-6-4-3-5-7-26)14-12-29(13-15-30)22-35(28(37)36(29)21-24-8-9-24)20-25-10-16-34(17-11-25)27-18-31-23-32-19-27/h3-7,18-19,23-25H,8-17,20-22H2,1-2H3/t29-,30+ | PDB
Reactome pathway
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| US Patent
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRUENENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl. 10 mM M... |
US Patent US10793556 (2020)
BindingDB Entry DOI: 10.7270/Q2XK8JMK |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM464643
(CIS-1-(Cyclopropyl-methyl)-8-dimethylamino-3-[2-me...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CCC3(O)CCS(=O)(=O)CC3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(5.31,-14.15,;3.77,-14.15,;3,-12.81,;3,-15.48,;2.23,-16.81,;.69,-16.81,;-.08,-15.48,;-.98,-14.23,;-2.45,-14.71,;-3.78,-13.94,;-5.12,-14.71,;-6.45,-13.94,;-7.78,-14.71,;-5.12,-13.17,;-5.12,-11.63,;-6.45,-10.86,;-7.22,-9.53,;-5.68,-9.53,;-7.78,-11.63,;-7.78,-13.17,;-2.45,-16.25,;-3.69,-17.16,;-.98,-16.73,;-.51,-18.19,;-1.54,-19.33,;-3.08,-19.33,;-3.08,-20.87,;-1.54,-20.87,;.69,-14.15,;2.23,-14.15,;3.77,-16.81,;3,-18.15,;3.77,-19.48,;5.31,-19.48,;6.08,-18.15,;5.31,-16.81,)| Show InChI InChI=1S/C28H43N3O4S/c1-29(2)28(24-9-4-3-5-10-24)13-11-26(12-14-28)22-30(25(32)31(26)21-23-7-6-8-23)18-15-27(33)16-19-36(34,35)20-17-27/h3-5,9-10,23,33H,6-8,11-22H2,1-2H3/t26-,28+ | PDB
Reactome pathway
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRUENENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl. 10 mM M... |
US Patent US10793556 (2020)
BindingDB Entry DOI: 10.7270/Q2XK8JMK |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469820
(CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo...)Show SMILES COc1cnccc1NC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:14.31,17.21,(-16.78,-14.08,;-18.26,-14.48,;-18.66,-15.97,;-20.15,-16.37,;-20.55,-17.86,;-19.46,-18.94,;-17.97,-18.55,;-17.57,-17.06,;-16.09,-16.66,;-15,-17.75,;-15.4,-19.24,;-13.51,-17.35,;-12.42,-18.44,;-10.96,-17.96,;-10.05,-19.21,;-9.28,-20.54,;-7.74,-20.54,;-6.97,-19.21,;-7.74,-17.88,;-9.28,-17.88,;-5.88,-18.12,;-4.39,-18.52,;-6.28,-16.63,;-5.88,-20.3,;-6.28,-21.79,;-5.19,-22.87,;-3.7,-22.48,;-3.3,-20.99,;-4.39,-19.9,;-10.96,-20.45,;-10.56,-21.94,;-11.65,-23.03,;-13.19,-23.03,;-13.19,-24.57,;-11.65,-24.57,;-12.42,-19.98,;-13.75,-20.75,)| Show InChI InChI=1S/C29H39N5O3/c1-32(2)29(23-10-5-4-6-11-23)15-13-28(14-16-29)21-33(27(36)34(28)19-22-8-7-9-22)20-26(35)31-24-12-17-30-18-25(24)37-3/h4-6,10-12,17-18,22H,7-9,13-16,19-21H2,1-3H3,(H,30,31,35)/t28-,29+ | PDB
Reactome pathway
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GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469872
(CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCc3cccc(C)n3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.24,3.2,(15.44,16.16,;16.53,15.08,;18.02,15.47,;16.13,13.59,;16.13,12.05,;14.8,11.28,;13.46,12.05,;12.17,12.89,;10.98,11.92,;9.49,12.32,;8.4,11.23,;8.8,9.74,;6.91,11.63,;5.82,10.54,;4.34,10.93,;3.94,12.42,;2.45,12.82,;1.36,11.73,;1.76,10.24,;.67,9.16,;3.25,9.85,;11.53,10.48,;10.76,9.15,;13.07,10.56,;14.16,9.47,;13.76,7.98,;12.42,7.21,;13.19,5.88,;14.53,6.65,;13.46,13.59,;14.8,14.36,;17.62,13.19,;18.02,11.7,;19.51,11.3,;20.59,12.39,;20.2,13.88,;18.71,14.28,)| Show InChI InChI=1S/C30H41N5O2/c1-23-9-7-14-26(32-23)19-31-27(36)21-34-22-29(35(28(34)37)20-24-10-8-11-24)15-17-30(18-16-29,33(2)3)25-12-5-4-6-13-25/h4-7,9,12-14,24H,8,10-11,15-22H2,1-3H3,(H,31,36)/t29-,30+ | PDB
Reactome pathway
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Prepronociceptin
(Human) | BDBM464438
(US10793528, Example SC_5008)Show SMILES COc1ccc(NC(=O)CCN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)nc1 |r,wU:16.19,13.29,(-10.66,.4,;-10.03,-1,;-8.5,-1.16,;-7.87,-2.57,;-6.34,-2.73,;-5.43,-1.49,;-3.9,-1.65,;-3,-.4,;-3.62,1.01,;-1.47,-.56,;-.56,.68,;.97,.52,;2,1.67,;3.41,1.04,;4.74,.27,;6.08,1.04,;6.08,2.58,;4.74,3.35,;3.41,2.58,;6.47,4.07,;7.96,4.47,;5.38,5.16,;7.6,2.38,;8.19,.96,;9.72,.76,;10.66,1.98,;10.07,3.4,;8.54,3.6,;3.25,-.49,;4.39,-1.52,;4.07,-3.03,;2.78,-3.87,;3.62,-5.16,;4.91,-4.32,;1.74,-.81,;1.11,-2.22,;-6.06,-.08,;-7.59,.08,)| Show InChI InChI=1S/C30H41N5O3/c1-33(2)30(24-10-5-4-6-11-24)17-15-29(16-18-30)22-34(28(37)35(29)21-23-8-7-9-23)19-14-27(36)32-26-13-12-25(38-3)20-31-26/h4-6,10-13,20,23H,7-9,14-19,21-22H2,1-3H3,(H,31,32,36)/t29-,30+ | UniProtKB/SwissProt
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
NOP:The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl. 10 ... |
US Patent US10793528 (2020)
BindingDB Entry DOI: 10.7270/Q2Q243B2 |
More data for this
Ligand-Target Pair | |
Prepronociceptin
(Human) | BDBM464476
(US10793528, Example SC_5046)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(C)(C)C(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.18,3.2,(5.9,3.28,;4.37,3.12,;3.47,4.36,;3.75,1.71,;3.12,.3,;1.59,.14,;.68,1.39,;-.35,2.53,;-1.75,1.9,;-3.09,2.67,;-4.42,1.9,;-4.42,.36,;-4.42,3.44,;-5.75,2.67,;-7.09,1.9,;-5.75,4.21,;-1.59,.37,;-2.74,-.66,;-.09,.05,;.54,-1.35,;-.37,-2.6,;-1.89,-2.84,;-1.65,-4.36,;-.12,-4.12,;1.31,2.79,;2.84,2.95,;4.65,.46,;4.03,-.94,;4.93,-2.19,;6.46,-2.03,;7.09,-.62,;6.18,.62,)| Show InChI InChI=1S/C26H40N4O2/c1-24(2,22(27)31)18-29-19-25(30(23(29)32)17-20-9-8-10-20)13-15-26(16-14-25,28(3)4)21-11-6-5-7-12-21/h5-7,11-12,20H,8-10,13-19H2,1-4H3,(H2,27,31)/t25-,26+ | UniProtKB/SwissProt
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
NOP:The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl. 10 ... |
US Patent US10793528 (2020)
BindingDB Entry DOI: 10.7270/Q2Q243B2 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469980
(CIS-1-(Cyclobutyl-methyl)-8-dimethylamino-3-[2-(1,...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3CCS(=O)(=O)CC3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(-7.34,-21.48,;-6.57,-22.81,;-5.03,-22.81,;-7.34,-24.15,;-8.11,-25.48,;-9.65,-25.48,;-10.42,-24.15,;-11.33,-22.9,;-12.79,-23.38,;-13.88,-22.29,;-15.37,-22.69,;-15.77,-24.18,;-16.46,-21.6,;-16.06,-20.11,;-17.15,-19.02,;-18.64,-19.42,;-18.64,-17.88,;-20.12,-19.82,;-19.04,-20.91,;-17.95,-22,;-12.79,-24.92,;-14.13,-25.69,;-11.33,-25.39,;-10.93,-26.88,;-12.02,-27.97,;-13.56,-27.97,;-13.56,-29.51,;-12.02,-29.51,;-9.65,-22.81,;-8.11,-22.81,;-6.57,-25.48,;-7.34,-26.82,;-6.57,-28.15,;-5.03,-28.15,;-4.26,-26.82,;-5.03,-25.48,)| Show InChI InChI=1S/C27H40N4O4S/c1-28(2)27(23-9-4-3-5-10-23)13-11-26(12-14-27)21-30(25(33)31(26)19-22-7-6-8-22)20-24(32)29-15-17-36(34,35)18-16-29/h3-5,9-10,22H,6-8,11-21H2,1-2H3/t26-,27+ | PDB
Reactome pathway
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| US Patent
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM470058
(CIS-1-(Cyclopropyl-methyl)-8-dimethylamino-3-[2-(4...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3CCC(CC3)S(C)(=O)=O)C(=O)N2CC2CC2)CC1)c1ccccc1 |r,wU:6.25,3.2,(18.09,17.49,;18.09,15.95,;19.43,15.18,;16.76,15.18,;15.99,13.85,;14.45,13.85,;13.68,15.18,;12.77,16.43,;11.31,15.95,;9.97,16.72,;8.64,15.95,;8.64,14.41,;7.31,16.72,;7.31,18.26,;5.97,19.03,;4.64,18.26,;4.64,16.72,;5.97,15.95,;3.31,19.03,;1.97,18.26,;2.54,20.36,;4.08,20.36,;11.31,14.41,;9.97,13.64,;12.77,13.93,;13.54,12.6,;12.45,11.51,;10.97,11.11,;12.06,10.02,;14.45,16.51,;15.99,16.51,;17.53,13.85,;16.76,12.51,;17.53,11.18,;19.07,11.18,;19.84,12.51,;19.07,13.85,)| Show InChI InChI=1S/C28H42N4O4S/c1-29(2)28(23-7-5-4-6-8-23)15-13-27(14-16-28)21-31(26(34)32(27)19-22-9-10-22)20-25(33)30-17-11-24(12-18-30)37(3,35)36/h4-8,22,24H,9-21H2,1-3H3/t27-,28+ | PDB
Reactome pathway
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| US Patent
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM470044
(CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-8-(3-...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCCO)C(=O)N2CC2CCC2)CC1)c1cccc(F)c1 |r,wU:6.18,3.2,(13.32,-21.31,;14.09,-22.64,;15.63,-22.64,;13.32,-23.98,;12.55,-25.31,;11.01,-25.31,;10.24,-23.98,;9.34,-22.73,;7.87,-23.21,;6.78,-22.12,;5.29,-22.52,;4.9,-24,;4.2,-21.43,;2.72,-21.83,;1.63,-20.74,;2.4,-19.4,;7.87,-24.75,;6.54,-25.52,;9.34,-25.22,;9.73,-26.71,;8.64,-27.8,;7.1,-27.8,;7.1,-29.34,;8.64,-29.34,;11.01,-22.64,;12.55,-22.64,;14.09,-25.31,;13.32,-26.64,;14.09,-27.98,;15.63,-27.98,;16.4,-26.64,;17.94,-26.64,;15.63,-25.31,)| Show InChI InChI=1S/C25H37FN4O3/c1-28(2)25(20-7-4-8-21(26)15-20)11-9-24(10-12-25)18-29(17-22(32)27-13-14-31)23(33)30(24)16-19-5-3-6-19/h4,7-8,15,19,31H,3,5-6,9-14,16-18H2,1-2H3,(H,27,32)/t24-,25+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| KEGG
PC cid
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UniChem
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM470041
(CIS-N-(Carbamoyl-methyl)-2-[1-(cyclobutyl-methyl)-...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)N(C)CC(N)=O)C(=O)N2CC2CCC2)CC1)c1cccc(F)c1 |r,wU:6.20,3.2,(-6.24,-6.67,;-5.47,-8,;-3.93,-8,;-6.24,-9.33,;-7.01,-10.67,;-8.55,-10.67,;-9.32,-9.33,;-10.23,-8.09,;-11.69,-8.56,;-12.78,-7.47,;-14.27,-7.87,;-14.67,-9.36,;-15.36,-6.78,;-14.96,-5.3,;-16.85,-7.18,;-17.94,-6.09,;-19.48,-6.09,;-17.17,-4.76,;-11.69,-10.1,;-13.03,-10.87,;-10.23,-10.58,;-9.83,-12.07,;-10.92,-13.16,;-12.46,-13.16,;-12.46,-14.7,;-10.92,-14.7,;-8.55,-8,;-7.01,-8,;-5.47,-10.67,;-6.24,-12,;-5.47,-13.33,;-3.93,-13.33,;-3.16,-12,;-1.62,-12,;-3.93,-10.67,)| Show InChI InChI=1S/C26H38FN5O3/c1-29(2)26(20-8-5-9-21(27)14-20)12-10-25(11-13-26)18-31(17-23(34)30(3)16-22(28)33)24(35)32(25)15-19-6-4-7-19/h5,8-9,14,19H,4,6-7,10-13,15-18H2,1-3H3,(H2,28,33)/t25-,26+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM464589
(CIS-1-(Cyclobutyl-methyl)-8-dimethylamino-3-(2-met...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CCS(C)(=O)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.17,(11.74,2.89,;10.26,3.29,;9.86,4.77,;9.17,2.2,;8.4,.86,;6.86,.86,;6.09,2.2,;5.18,3.44,;3.72,2.97,;2.63,4.06,;1.14,3.66,;.05,4.75,;.45,6.23,;-1.44,4.35,;-.35,3.26,;3.72,1.43,;2.47,.52,;5.18,.95,;5.66,-.51,;4.63,-1.66,;3.14,-2.06,;3.54,-3.54,;5.03,-3.15,;6.86,3.53,;8.4,3.53,;10.26,1.11,;9.86,-.38,;10.95,-1.47,;12.43,-1.07,;12.83,.42,;11.74,1.51,)| Show InChI InChI=1S/C24H37N3O3S/c1-25(2)24(21-10-5-4-6-11-21)14-12-23(13-15-24)19-26(16-17-31(3,29)30)22(28)27(23)18-20-8-7-9-20/h4-6,10-11,20H,7-9,12-19H2,1-3H3/t23-,24+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRUENENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl. 10 mM M... |
US Patent US10793556 (2020)
BindingDB Entry DOI: 10.7270/Q2XK8JMK |
More data for this
Ligand-Target Pair | |
Prepronociceptin
(Human) | BDBM464434
(US10793528, Example SC_5004)Show SMILES COc1ccc(NC(=O)CCN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)cn1 |r,wU:13.29,16.19,(-10.66,.4,;-10.03,-1,;-8.5,-1.16,;-7.59,.08,;-6.06,-.08,;-5.43,-1.49,;-3.9,-1.65,;-3,-.4,;-3.62,1.01,;-1.47,-.56,;-.56,.68,;.97,.52,;2,1.67,;3.41,1.04,;4.74,.27,;6.08,1.04,;6.08,2.58,;4.74,3.35,;3.41,2.58,;6.47,4.07,;5.38,5.16,;7.96,4.47,;7.6,2.38,;8.19,.96,;9.72,.76,;10.66,1.98,;10.07,3.4,;8.54,3.6,;3.25,-.49,;4.39,-1.52,;4.07,-3.03,;2.78,-3.87,;3.62,-5.16,;4.91,-4.32,;1.74,-.81,;1.11,-2.22,;-6.34,-2.73,;-7.87,-2.57,)| Show InChI InChI=1S/C30H41N5O3/c1-33(2)30(24-10-5-4-6-11-24)17-15-29(16-18-30)22-34(28(37)35(29)21-23-8-7-9-23)19-14-26(36)32-25-12-13-27(38-3)31-20-25/h4-6,10-13,20,23H,7-9,14-19,21-22H2,1-3H3,(H,32,36)/t29-,30+ | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
NOP:The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl. 10 ... |
US Patent US10793528 (2020)
BindingDB Entry DOI: 10.7270/Q2Q243B2 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469812
(CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cccnc3C)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.23,(-8.6,-21.01,;-7.51,-22.1,;-6.02,-21.7,;-7.91,-23.59,;-7.91,-25.13,;-9.24,-25.9,;-10.57,-25.13,;-11.98,-24.5,;-13.01,-25.65,;-14.5,-25.25,;-15.59,-26.34,;-15.19,-27.82,;-17.07,-25.94,;-18.16,-27.03,;-19.65,-26.63,;-20.74,-27.72,;-20.34,-29.21,;-18.85,-29.6,;-17.77,-28.51,;-16.28,-28.91,;-12.24,-26.98,;-13.01,-28.31,;-10.73,-26.66,;-9.65,-27.75,;-10.04,-29.24,;-11.38,-30.01,;-10.61,-31.34,;-9.27,-30.57,;-10.57,-23.59,;-9.24,-22.82,;-6.42,-23.99,;-6.02,-25.47,;-4.53,-25.87,;-3.44,-24.78,;-3.84,-23.3,;-5.33,-22.9,)| Show InChI InChI=1S/C29H39N5O2/c1-22-25(13-8-18-30-22)31-26(35)20-33-21-28(34(27(33)36)19-23-9-7-10-23)14-16-29(17-15-28,32(2)3)24-11-5-4-6-12-24/h4-6,8,11-13,18,23H,7,9-10,14-17,19-21H2,1-3H3,(H,31,35)/t28-,29+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469815
(CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccc(C)nc3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.23,(14.12,24.55,;15.21,23.47,;16.54,24.24,;14.81,21.98,;14.81,20.44,;13.47,19.67,;12.14,20.44,;10.73,21.06,;9.7,19.92,;8.22,20.32,;7.13,19.23,;7.53,17.74,;5.64,19.63,;4.55,18.54,;4.95,17.05,;3.86,15.96,;2.37,16.36,;1.28,15.27,;1.97,17.85,;3.06,18.94,;10.47,18.59,;10.07,17.1,;11.98,18.91,;13.07,17.82,;12.67,16.33,;11.34,15.56,;12.11,14.23,;13.44,15,;12.14,21.98,;13.47,22.75,;16.3,21.58,;16.69,20.09,;18.18,19.69,;19.27,20.78,;18.87,22.27,;17.38,22.67,)| Show InChI InChI=1S/C29H39N5O2/c1-22-12-13-25(18-30-22)31-26(35)20-33-21-28(34(27(33)36)19-23-8-7-9-23)14-16-29(17-15-28,32(2)3)24-10-5-4-6-11-24/h4-6,10-13,18,23H,7-9,14-17,19-21H2,1-3H3,(H,31,35)/t28-,29+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469856
(CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccon3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.21,3.2,(13.27,-7.57,;14.36,-8.66,;15.85,-8.26,;13.96,-10.15,;13.96,-11.69,;12.63,-12.46,;11.29,-11.69,;10,-10.85,;8.8,-11.82,;7.32,-11.42,;6.23,-12.51,;6.63,-14,;4.74,-12.11,;3.65,-13.2,;4.13,-14.66,;2.88,-15.57,;1.64,-14.66,;2.11,-13.2,;9.36,-13.26,;8.59,-14.59,;10.89,-13.18,;11.98,-14.26,;11.58,-15.75,;10.25,-16.52,;11.02,-17.86,;12.35,-17.09,;11.29,-10.15,;12.63,-9.38,;15.45,-10.55,;15.85,-12.03,;17.33,-12.43,;18.42,-11.34,;18.02,-9.86,;16.54,-9.46,)| Show InChI InChI=1S/C26H35N5O3/c1-29(2)26(21-9-4-3-5-10-21)14-12-25(13-15-26)19-30(18-23(32)27-22-11-16-34-28-22)24(33)31(25)17-20-7-6-8-20/h3-5,9-11,16,20H,6-8,12-15,17-19H2,1-2H3,(H,27,28,32)/t25-,26+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM471984
(CIS-1-(Cyclobutyl-methyl)-8-dimethylamino-8-phenyl...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(Cc3cnccn3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.19,3.2,(-8.95,-1.96,;-8.56,-3.45,;-7.07,-3.85,;-9.65,-4.54,;-10.42,-5.87,;-11.96,-5.87,;-12.73,-4.54,;-13.63,-3.29,;-15.09,-3.77,;-16.43,-3,;-17.76,-3.77,;-17.76,-5.31,;-19.1,-6.08,;-20.43,-5.31,;-20.43,-3.77,;-19.1,-3,;-15.09,-5.31,;-16.43,-6.08,;-13.63,-5.79,;-13.23,-7.27,;-14.32,-8.36,;-15.86,-8.36,;-15.86,-9.9,;-14.32,-9.9,;-11.96,-3.21,;-10.42,-3.21,;-8.56,-5.63,;-8.95,-7.12,;-7.87,-8.21,;-6.38,-7.81,;-5.98,-6.32,;-7.07,-5.23,)| Show InChI InChI=1S/C26H35N5O/c1-29(2)26(22-9-4-3-5-10-22)13-11-25(12-14-26)20-30(19-23-17-27-15-16-28-23)24(32)31(25)18-21-7-6-8-21/h3-5,9-10,15-17,21H,6-8,11-14,18-20H2,1-2H3/t25-,26+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRUENENTHAL GMBH
US Patent
| Assay Description
Mu-Opioid Peptide (hMOP): The hMOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buff... |
US Patent US10829480 (2020)
BindingDB Entry DOI: 10.7270/Q2SB48SB |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469982
(CIS-1-(Cyclobutyl-methyl)-8-dimethylamino-3-[2-(4-...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3CCN(CC3)S(C)(=O)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.25,3.2,(-6.65,15.18,;-5.88,13.85,;-4.34,13.85,;-6.65,12.52,;-7.42,11.18,;-8.96,11.18,;-9.73,12.52,;-10.64,13.76,;-12.1,13.29,;-13.19,14.38,;-14.68,13.98,;-15.08,12.49,;-15.77,15.07,;-15.37,16.55,;-16.46,17.64,;-17.95,17.24,;-18.34,15.76,;-17.26,14.67,;-19.03,18.33,;-18.64,19.82,;-20.57,18.33,;-19.43,16.84,;-12.1,11.75,;-13.44,10.98,;-10.64,11.27,;-10.24,9.78,;-11.33,8.69,;-12.87,8.69,;-12.87,7.15,;-11.33,7.15,;-8.96,13.85,;-7.42,13.85,;-5.88,11.18,;-6.65,9.85,;-5.88,8.51,;-4.34,8.51,;-3.57,9.85,;-4.34,11.18,)| Show InChI InChI=1S/C28H43N5O4S/c1-29(2)28(24-10-5-4-6-11-24)14-12-27(13-15-28)22-31(26(35)33(27)20-23-8-7-9-23)21-25(34)30-16-18-32(19-17-30)38(3,36)37/h4-6,10-11,23H,7-9,12-22H2,1-3H3/t27-,28+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469876
(CIS-6-[[2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2...)Show SMILES CNC(=O)c1ccc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)nc1 |r,wU:14.30,17.20,(.66,-11.16,;2.15,-10.76,;3.24,-11.85,;2.84,-13.33,;4.72,-11.45,;5.81,-12.54,;7.3,-12.14,;7.7,-10.65,;9.19,-10.25,;10.28,-11.34,;9.88,-12.83,;11.76,-10.94,;12.85,-12.03,;14.32,-11.56,;15.22,-12.8,;15.99,-14.14,;17.53,-14.14,;18.3,-12.8,;17.53,-11.47,;15.99,-11.47,;19.07,-11.47,;18.3,-10.13,;20.61,-11.47,;19.07,-14.14,;18.3,-15.47,;19.07,-16.8,;20.61,-16.8,;21.38,-15.47,;20.61,-14.14,;14.32,-14.05,;14.71,-15.54,;13.63,-16.62,;12.09,-16.62,;12.09,-18.16,;13.63,-18.16,;12.85,-13.57,;11.52,-14.34,;6.61,-9.56,;5.12,-9.96,)| Show InChI InChI=1S/C30H40N6O3/c1-31-27(38)23-12-13-25(32-18-23)33-26(37)20-35-21-29(36(28(35)39)19-22-8-7-9-22)14-16-30(17-15-29,34(2)3)24-10-5-4-6-11-24/h4-6,10-13,18,22H,7-9,14-17,19-21H2,1-3H3,(H,31,38)(H,32,33,37)/t29-,30+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Prepronociceptin
(Human) | BDBM464435
(US10793528, Example SC_5005)Show SMILES COc1cnccc1NC(=O)CCN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:15.32,18.22,(-5.83,5.18,;-5.69,3.65,;-6.95,2.76,;-8.35,3.41,;-9.61,2.53,;-9.47,1,;-8.08,.35,;-6.82,1.23,;-5.42,.58,;-4.16,1.46,;-4.3,3,;-2.76,.82,;-1.5,1.7,;-.11,1.05,;1.24,1.8,;2.37,.75,;3.46,-.34,;4.94,.06,;5.34,1.55,;4.25,2.63,;2.77,2.24,;6.11,2.88,;5.34,4.21,;7.65,2.88,;6.76,.96,;6.97,-.57,;8.39,-1.16,;9.61,-.22,;9.41,1.3,;7.99,1.89,;1.72,-.65,;2.46,-1.99,;1.67,-3.31,;.18,-3.69,;.55,-5.18,;2.05,-4.81,;.19,-.46,;-.86,-1.59,)| Show InChI InChI=1S/C30H41N5O3/c1-33(2)30(24-10-5-4-6-11-24)16-14-29(15-17-30)22-34(28(37)35(29)21-23-8-7-9-23)19-13-27(36)32-25-12-18-31-20-26(25)38-3/h4-6,10-12,18,20,23H,7-9,13-17,19,21-22H2,1-3H3,(H,31,32,36)/t29-,30+ | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
NOP:The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl. 10 ... |
US Patent US10793528 (2020)
BindingDB Entry DOI: 10.7270/Q2Q243B2 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM472075
(CIS-3-[[1-(Cyclobutyl-methyl)-8-dimethylamino-2-ox...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(Cc3cccc(c3)C#N)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.21,3.2,(-5.62,-.45,;-4.85,-1.78,;-3.31,-1.78,;-5.62,-3.12,;-6.39,-4.45,;-7.93,-4.45,;-8.7,-3.12,;-9.61,-1.87,;-11.07,-2.35,;-12.4,-1.58,;-13.74,-2.35,;-13.74,-3.89,;-15.07,-4.66,;-16.4,-3.89,;-16.4,-2.35,;-15.07,-1.58,;-17.74,-1.58,;-19.07,-.81,;-11.07,-3.89,;-12.4,-4.66,;-9.61,-4.36,;-9.21,-5.85,;-10.3,-6.94,;-11.84,-6.94,;-11.84,-8.48,;-10.3,-8.48,;-7.93,-1.78,;-6.39,-1.78,;-4.85,-4.45,;-5.62,-5.79,;-4.85,-7.12,;-3.31,-7.12,;-2.54,-5.79,;-3.31,-4.45,)| Show InChI InChI=1S/C29H36N4O/c1-31(2)29(26-12-4-3-5-13-26)16-14-28(15-17-29)22-32(20-25-11-7-10-24(18-25)19-30)27(34)33(28)21-23-8-6-9-23/h3-5,7,10-13,18,23H,6,8-9,14-17,20-22H2,1-2H3/t28-,29+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRUENENTHAL GMBH
US Patent
| Assay Description
Mu-Opioid Peptide (hMOP): The hMOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buff... |
US Patent US10829480 (2020)
BindingDB Entry DOI: 10.7270/Q2SB48SB |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469972
(CIS-2-[[2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCC(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.19,(-5.72,-21.54,;-4.95,-22.88,;-3.41,-22.88,;-5.72,-24.21,;-6.49,-25.54,;-8.03,-25.54,;-8.8,-24.21,;-9.71,-22.96,;-11.17,-23.44,;-12.5,-22.67,;-13.84,-23.44,;-13.84,-24.98,;-15.17,-22.67,;-16.51,-23.44,;-17.84,-22.67,;-19.17,-23.44,;-17.84,-21.13,;-11.17,-24.98,;-12.5,-25.75,;-9.71,-25.45,;-9.31,-26.94,;-10.4,-28.03,;-11.94,-28.03,;-11.94,-29.57,;-10.4,-29.57,;-8.03,-22.88,;-6.49,-22.88,;-4.95,-25.54,;-5.72,-26.88,;-4.95,-28.21,;-3.41,-28.21,;-2.64,-26.88,;-3.41,-25.54,)| Show InChI InChI=1S/C25H37N5O3/c1-28(2)25(20-9-4-3-5-10-20)13-11-24(12-14-25)18-29(17-22(32)27-15-21(26)31)23(33)30(24)16-19-7-6-8-19/h3-5,9-10,19H,6-8,11-18H2,1-2H3,(H2,26,31)(H,27,32)/t24-,25+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469807
(CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cnc(C)nc3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(16.76,19.16,;17.16,17.68,;18.65,17.28,;16.07,16.59,;15.3,15.25,;13.76,15.25,;12.99,16.59,;12.09,17.83,;10.62,17.36,;9.29,18.13,;7.95,17.36,;7.95,15.82,;6.62,18.13,;5.29,17.36,;3.95,18.13,;2.62,17.36,;2.62,15.82,;1.29,15.05,;3.95,15.05,;5.29,15.82,;10.62,15.82,;9.29,15.05,;12.09,15.34,;12.49,13.85,;11.72,12.52,;10.23,12.12,;10.63,10.63,;12.11,11.03,;13.76,17.92,;15.3,17.92,;17.16,15.5,;16.76,14.01,;17.85,12.92,;19.34,13.32,;19.74,14.81,;18.65,15.9,)| Show InChI InChI=1S/C28H38N6O2/c1-21-29-16-24(17-30-21)31-25(35)19-33-20-27(34(26(33)36)18-22-8-7-9-22)12-14-28(15-13-27,32(2)3)23-10-5-4-6-11-23/h4-6,10-11,16-17,22H,7-9,12-15,18-20H2,1-3H3,(H,31,35)/t27-,28+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM464596
(CIS-1-(Cyclobutyl-methyl)-8-dimethylamino-3-methyl...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(C)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.12,(11.4,-20.19,;9.91,-19.79,;9.51,-18.3,;8.82,-20.88,;8.05,-22.21,;6.51,-22.21,;5.74,-20.88,;4.84,-19.63,;3.37,-20.11,;2.28,-19.02,;3.37,-21.65,;2.13,-22.55,;4.84,-22.12,;5.31,-23.59,;4.28,-24.73,;2.79,-25.13,;3.19,-26.62,;4.68,-26.22,;6.51,-19.55,;8.05,-19.55,;9.91,-21.97,;9.51,-23.46,;10.6,-24.54,;12.09,-24.15,;12.49,-22.66,;11.4,-21.57,)| Show InChI InChI=1S/C22H33N3O/c1-23(2)22(19-10-5-4-6-11-19)14-12-21(13-15-22)17-24(3)20(26)25(21)16-18-8-7-9-18/h4-6,10-11,18H,7-9,12-17H2,1-3H3/t21-,22+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRUENENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl. 10 mM M... |
US Patent US10793556 (2020)
BindingDB Entry DOI: 10.7270/Q2XK8JMK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM472105
(CIS-3-Benzy1-1-(cyclobutyl-methyl)-8-dimethylamino...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(Cc3ccccc3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.19,3.2,(-8.61,6.15,;-7.84,4.82,;-6.3,4.82,;-8.61,3.48,;-9.38,2.15,;-10.92,2.15,;-11.69,3.48,;-12.59,4.73,;-14.05,4.25,;-15.39,5.02,;-16.72,4.25,;-18.06,5.02,;-19.39,4.25,;-19.39,2.71,;-18.06,1.94,;-16.72,2.71,;-14.05,2.71,;-15.39,1.94,;-12.59,2.24,;-12.19,.75,;-13.28,-.34,;-14.82,-.34,;-14.82,-1.88,;-13.28,-1.88,;-10.92,4.82,;-9.38,4.82,;-7.84,2.15,;-8.61,.82,;-7.84,-.52,;-6.3,-.52,;-5.53,.82,;-6.3,2.15,)| Show InChI InChI=1S/C28H37N3O/c1-29(2)28(25-14-7-4-8-15-25)18-16-27(17-19-28)22-30(20-23-10-5-3-6-11-23)26(32)31(27)21-24-12-9-13-24/h3-8,10-11,14-15,24H,9,12-13,16-22H2,1-2H3/t27-,28+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRUENENTHAL GMBH
US Patent
| Assay Description
Mu-Opioid Peptide (hMOP): The hMOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buff... |
US Patent US10829480 (2020)
BindingDB Entry DOI: 10.7270/Q2SB48SB |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469811
(CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo...)Show SMILES COc1ccc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)cn1 |r,wU:15.18,12.28,(1.28,-16.04,;2.77,-16.44,;3.86,-15.35,;3.46,-13.86,;4.55,-12.77,;6.03,-13.17,;7.12,-12.08,;8.61,-12.48,;9.01,-13.97,;9.7,-11.39,;11.19,-11.79,;12.22,-10.64,;13.62,-11.27,;14.96,-12.04,;16.29,-11.27,;16.29,-9.73,;14.96,-8.96,;13.62,-9.73,;16.69,-8.24,;15.6,-7.15,;18.18,-7.84,;17.78,-10.13,;18.18,-11.62,;19.67,-12.01,;20.76,-10.93,;20.36,-9.44,;18.87,-9.04,;13.46,-12.8,;14.55,-13.89,;14.15,-15.38,;12.82,-16.15,;13.59,-17.48,;14.92,-16.71,;11.96,-13.12,;11.19,-14.46,;6.43,-14.66,;5.34,-15.75,)| Show InChI InChI=1S/C29H39N5O3/c1-32(2)29(23-10-5-4-6-11-23)16-14-28(15-17-29)21-33(27(36)34(28)19-22-8-7-9-22)20-25(35)31-24-12-13-26(37-3)30-18-24/h4-6,10-13,18,22H,7-9,14-17,19-21H2,1-3H3,(H,31,35)/t28-,29+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469850
(CIS-2-[[2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCC(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.19,3.2,(18.12,29.98,;16.58,29.98,;15.81,31.31,;15.81,28.65,;15.04,27.31,;13.5,27.31,;12.73,28.65,;11.83,29.89,;10.36,29.42,;9.03,30.19,;7.69,29.42,;7.3,27.93,;6.36,30.19,;5.03,29.42,;3.69,30.19,;2.36,29.42,;3.69,31.73,;10.36,27.88,;9.03,27.11,;11.83,27.4,;12.23,25.91,;11.14,24.82,;9.6,24.82,;9.6,23.28,;11.14,23.28,;13.5,29.98,;15.04,29.98,;16.58,27.31,;15.81,25.98,;16.58,24.65,;18.12,24.65,;18.89,25.98,;18.12,27.31,)| Show InChI InChI=1S/C25H37N5O3/c1-28(2)25(20-9-4-3-5-10-20)13-11-24(12-14-25)18-29(17-22(32)27-15-21(26)31)23(33)30(24)16-19-7-6-8-19/h3-5,9-10,19H,6-8,11-18H2,1-2H3,(H2,26,31)(H,27,32)/t24-,25+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469787
(CIS-6-[[2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2...)Show SMILES CNC(=O)c1cccc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)n1 |r,wU:15.31,18.21,(.96,-2.32,;2.05,-3.41,;3.54,-3.01,;3.94,-1.52,;4.63,-4.1,;4.23,-5.59,;5.32,-6.68,;6.81,-6.28,;7.2,-4.79,;8.69,-4.39,;9.78,-5.48,;9.38,-6.97,;11.27,-5.08,;12.36,-6.17,;13.82,-5.7,;14.73,-6.94,;15.5,-8.28,;17.04,-8.28,;17.81,-6.94,;17.04,-5.61,;15.5,-5.61,;18.58,-5.61,;17.81,-4.28,;20.12,-5.61,;18.58,-8.28,;17.81,-9.61,;18.58,-10.94,;20.12,-10.94,;20.89,-9.61,;20.12,-8.28,;13.82,-8.19,;14.22,-9.68,;13.13,-10.76,;11.59,-10.76,;11.59,-12.3,;13.13,-12.3,;12.36,-7.71,;11.02,-8.48,;6.12,-3.7,)| Show InChI InChI=1S/C30H40N6O3/c1-31-27(38)24-13-8-14-25(32-24)33-26(37)20-35-21-29(36(28(35)39)19-22-9-7-10-22)15-17-30(18-16-29,34(2)3)23-11-5-4-6-12-23/h4-6,8,11-14,22H,7,9-10,15-21H2,1-3H3,(H,31,38)(H,32,33,37)/t29-,30+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469883
(CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)NC3CCS(=O)(=O)CC3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.24,3.2,(-4.87,7.17,;-4.47,5.68,;-2.98,5.28,;-5.56,4.59,;-6.33,3.26,;-7.87,3.26,;-8.64,4.59,;-9.54,5.84,;-11.01,5.36,;-12.34,6.13,;-13.68,5.36,;-13.68,3.82,;-15.01,6.13,;-16.34,5.36,;-17.68,6.13,;-19.01,5.36,;-19.01,3.82,;-19.41,2.33,;-20.5,4.22,;-17.68,3.05,;-16.34,3.82,;-11.01,3.82,;-12.34,3.05,;-9.54,3.35,;-9.14,1.86,;-10.23,.77,;-11.77,.77,;-11.77,-.77,;-10.23,-.77,;-7.87,5.92,;-6.33,5.92,;-4.22,3.82,;-4.22,2.28,;-2.89,1.51,;-1.56,2.28,;-1.56,3.82,;-2.89,4.59,)| Show InChI InChI=1S/C28H42N4O4S/c1-30(2)28(23-9-4-3-5-10-23)15-13-27(14-16-28)21-31(26(34)32(27)19-22-7-6-8-22)20-25(33)29-24-11-17-37(35,36)18-12-24/h3-5,9-10,22,24H,6-8,11-21H2,1-2H3,(H,29,33)/t27-,28+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469863
(CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCc3cnccc3C)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.24,3.2,(-6.65,5.28,;-5.56,4.19,;-4.07,4.59,;-5.96,2.7,;-5.96,1.16,;-7.29,.39,;-8.62,1.16,;-9.91,2,;-11.11,1.03,;-12.6,1.43,;-13.69,.34,;-13.29,-1.14,;-15.18,.74,;-16.26,-.35,;-17.75,.05,;-18.15,1.54,;-19.64,1.94,;-20.73,.85,;-20.33,-.64,;-18.84,-1.04,;-18.44,-2.53,;-10.56,-.4,;-11.33,-1.74,;-9.02,-.32,;-7.93,-1.41,;-8.33,-2.9,;-9.67,-3.67,;-8.9,-5,;-7.56,-4.23,;-8.62,2.7,;-7.29,3.47,;-4.47,2.31,;-4.07,.82,;-2.58,.42,;-1.49,1.51,;-1.89,3,;-3.38,3.39,)| Show InChI InChI=1S/C30H41N5O2/c1-23-12-17-31-18-25(23)19-32-27(36)21-34-22-29(35(28(34)37)20-24-8-7-9-24)13-15-30(16-14-29,33(2)3)26-10-5-4-6-11-26/h4-6,10-12,17-18,24H,7-9,13-16,19-22H2,1-3H3,(H,32,36)/t29-,30+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469841
(CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo...)Show SMILES COc1ncncc1NC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:14.31,17.21,(-21.23,16.27,;-19.9,15.5,;-19.9,13.96,;-21.23,13.19,;-21.23,11.65,;-19.9,10.88,;-18.57,11.65,;-18.57,13.19,;-17.23,13.96,;-15.9,13.19,;-15.9,11.65,;-14.56,13.96,;-13.23,13.19,;-11.77,13.67,;-10.86,12.42,;-10.09,11.09,;-8.55,11.09,;-7.78,12.42,;-8.55,13.76,;-10.09,13.76,;-6.69,13.51,;-5.2,13.11,;-7.09,15,;-6.45,11.65,;-6.45,10.11,;-5.11,9.34,;-3.78,10.11,;-3.78,11.65,;-5.11,12.42,;-11.77,11.18,;-11.37,9.69,;-12.46,8.6,;-14,8.6,;-14,7.06,;-12.46,7.06,;-13.23,11.65,;-14.56,10.88,)| Show InChI InChI=1S/C28H38N6O3/c1-32(2)28(22-10-5-4-6-11-22)14-12-27(13-15-28)19-33(26(36)34(27)17-21-8-7-9-21)18-24(35)31-23-16-29-20-30-25(23)37-3/h4-6,10-11,16,20-21H,7-9,12-15,17-19H2,1-3H3,(H,31,35)/t27-,28+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GRÜNENTHAL GMBH
US Patent
| Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M... |
US Patent US10807989 (2020)
BindingDB Entry DOI: 10.7270/Q2222XTM |
More data for this
Ligand-Target Pair | |
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