Found 1562 hits with Last Name = 'konetzki' and Initial = 'i' 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)) | BDBM469350
(US10807988, Example SC_3001 | cis-5-[1-(Cyclobutyl...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(nc2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(6.58,22.67,;5.1,23.06,;4.7,24.55,;4.01,21.98,;3.24,20.64,;1.7,20.64,;.93,21.98,;.02,23.22,;-1.44,22.75,;-1.44,21.21,;-2.69,20.3,;.02,20.73,;.5,19.26,;-.53,18.12,;-2.07,18.12,;-2.07,16.58,;-.53,16.58,;-2.69,23.65,;-2.53,25.18,;-3.77,26.09,;-5.18,25.46,;-5.34,23.93,;-4.1,23.02,;-6.43,26.37,;-7.67,27.27,;1.7,23.31,;3.24,23.31,;5.1,20.89,;4.7,19.4,;5.79,18.31,;7.27,18.71,;7.67,20.2,;6.58,21.28,)| Show InChI InChI=1S/C26H32N6O/c1-30(2)26(21-9-4-3-5-10-21)13-11-25(12-14-26)19-31(22-16-28-23(15-27)29-17-22)24(33)32(25)18-20-7-6-8-20/h3-5,9-10,16-17,20H,6-8,11-14,18-19H2,1-2H3/t25-,26+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| 0.300 | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469352
(US10807988, Example SC_3003 | cis-5-[1-(Cyclobutyl...)Show SMILES COc1nc(ncc1N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O)C#N |r,wU:10.27,13.17,(-.93,-.89,;-.93,-2.43,;-2.26,-3.2,;-3.6,-2.43,;-4.93,-3.2,;-4.93,-4.74,;-3.6,-5.51,;-2.26,-4.74,;-.93,-5.51,;.53,-5.03,;1.44,-6.28,;2.21,-7.61,;3.75,-7.61,;4.52,-6.28,;3.75,-4.94,;2.21,-4.94,;5.29,-4.94,;6.83,-4.94,;4.52,-3.61,;5.29,-7.61,;4.52,-8.95,;5.29,-10.28,;6.83,-10.28,;7.6,-8.95,;6.83,-7.61,;.53,-7.52,;1.01,-8.99,;-.02,-10.13,;-1.56,-10.13,;-1.56,-11.67,;-.02,-11.67,;-.93,-7.05,;-2.18,-7.95,;-6.27,-2.43,;-7.6,-1.66,)| Show InChI InChI=1S/C27H34N6O2/c1-31(2)27(21-10-5-4-6-11-21)14-12-26(13-15-27)19-32(25(34)33(26)18-20-8-7-9-20)22-17-29-23(16-28)30-24(22)35-3/h4-6,10-11,17,20H,7-9,12-15,18-19H2,1-3H3/t26-,27+ | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469376
(US10807988, Example SC_3022 | cis-1-(Cyclobutyl-me...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(nc2)C(F)(F)F)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.39,8.81,;5.16,7.47,;6.7,7.47,;4.39,6.14,;3.62,4.81,;2.08,4.81,;1.31,6.14,;.41,7.38,;-1.06,6.91,;-1.06,5.37,;-2.31,4.46,;.41,4.89,;.88,3.43,;-.15,2.28,;-1.69,2.28,;-1.69,.74,;-.15,.74,;-2.39,7.68,;-2.39,9.22,;-3.73,9.99,;-5.06,9.22,;-5.06,7.68,;-3.73,6.91,;-6.39,9.99,;-7.73,9.22,;-6.39,11.53,;-7.73,10.76,;2.08,7.47,;3.62,7.47,;5.16,4.81,;4.39,3.47,;5.16,2.14,;6.7,2.14,;7.47,3.47,;6.7,4.81,)| Show InChI InChI=1S/C26H32F3N5O/c1-32(2)25(20-9-4-3-5-10-20)13-11-24(12-14-25)18-33(23(35)34(24)17-19-7-6-8-19)21-15-30-22(31-16-21)26(27,28)29/h3-5,9-10,15-16,19H,6-8,11-14,17-18H2,1-2H3/t24-,25+ | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
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 | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469435
(US10807988, Example SC_3076 | cis-1-(Cyclobutyl-me...)Show SMILES COc1ncc(cn1)N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:10.27,13.17,(-7.19,-2.27,;-5.7,-1.87,;-4.62,-2.96,;-3.13,-2.56,;-2.04,-3.65,;-2.44,-5.14,;-3.93,-5.54,;-5.01,-4.45,;-1.35,-6.23,;.12,-5.75,;1.02,-7,;1.79,-8.33,;3.33,-8.33,;4.1,-7,;3.33,-5.66,;1.79,-5.66,;4.87,-5.66,;4.1,-4.33,;6.41,-5.66,;4.87,-8.33,;4.1,-9.67,;4.87,-11,;6.41,-11,;7.18,-9.67,;6.41,-8.33,;.12,-8.24,;.59,-9.71,;-.44,-10.85,;-1.98,-10.85,;-1.98,-12.39,;-.44,-12.39,;-1.35,-7.77,;-2.59,-8.67,)| Show InChI InChI=1S/C26H35N5O2/c1-29(2)26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-30(22-16-27-23(33-3)28-17-22)24(32)31(25)18-20-8-7-9-20/h4-6,10-11,16-17,20H,7-9,12-15,18-19H2,1-3H3/t25-,26+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.600 | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469437
(US10807988, Example SC_3078 | cis-5-[1-(Cyclobutyl...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(cc2C)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.01,24.08,;4.78,22.75,;6.32,22.75,;4.01,21.41,;3.24,20.08,;1.7,20.08,;.93,21.41,;.03,22.66,;-1.44,22.18,;-1.44,20.64,;-2.68,19.74,;.03,20.17,;.5,18.7,;-.53,17.56,;-2.07,17.56,;-2.07,16.02,;-.53,16.02,;-2.53,23.27,;-4.01,22.87,;-5.1,23.96,;-4.7,25.45,;-3.22,25.85,;-2.13,24.76,;-.64,25.16,;-5.79,26.54,;-6.88,27.63,;1.7,22.75,;3.24,22.75,;4.78,20.08,;4.01,18.74,;4.78,17.41,;6.32,17.41,;7.09,18.74,;6.32,20.08,)| Show InChI InChI=1S/C28H35N5O/c1-21-16-24(17-29)30-18-25(21)32-20-27(33(26(32)34)19-22-8-7-9-22)12-14-28(15-13-27,31(2)3)23-10-5-4-6-11-23/h4-6,10-11,16,18,22H,7-9,12-15,19-20H2,1-3H3/t27-,28+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.600 | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469357
(US10807988, Example SC_3008 | cis-2-[1-(Cyclobutyl...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccc(cc2C#N)S(C)(=O)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(6.57,-21.14,;5.03,-21.14,;4.26,-19.81,;4.26,-22.47,;3.49,-23.81,;1.95,-23.81,;1.18,-22.47,;.28,-21.23,;-1.19,-21.7,;-1.19,-23.24,;-2.43,-24.15,;.28,-23.72,;.75,-25.19,;-.28,-26.33,;-1.82,-26.33,;-1.82,-27.87,;-.28,-27.87,;-2.43,-20.8,;-3.84,-21.43,;-5.08,-20.52,;-4.92,-18.99,;-3.52,-18.36,;-2.27,-19.27,;-.86,-18.64,;.54,-18.02,;-6.17,-18.08,;-7.58,-18.71,;-6.94,-16.75,;-5.08,-17,;1.95,-21.14,;3.49,-21.14,;5.03,-23.81,;4.26,-25.14,;5.03,-26.48,;6.57,-26.48,;7.34,-25.14,;6.57,-23.81,)| Show InChI InChI=1S/C29H36N4O3S/c1-31(2)29(24-10-5-4-6-11-24)16-14-28(15-17-29)21-32(27(34)33(28)20-22-8-7-9-22)26-13-12-25(37(3,35)36)18-23(26)19-30/h4-6,10-13,18,22H,7-9,14-17,20-21H2,1-3H3/t28-,29+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.600 | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469382
(US10807988, Example SC_3028 | cis-4-[1-(Cyclobutyl...)Show SMILES CN(C)C(=O)c1ccc(cc1)N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:13.30,16.20,(-8.08,-16.17,;-6.84,-17.07,;-7,-18.61,;-5.43,-16.45,;-5.27,-14.92,;-4.18,-17.35,;-2.78,-16.73,;-1.53,-17.63,;-1.69,-19.16,;-3.1,-19.79,;-4.35,-18.89,;-.45,-20.07,;1.02,-19.59,;1.92,-20.84,;2.69,-22.17,;4.23,-22.17,;5,-20.84,;4.23,-19.51,;2.69,-19.51,;5.77,-19.51,;5,-18.17,;7.31,-19.51,;5.77,-22.17,;5,-23.51,;5.77,-24.84,;7.31,-24.84,;8.08,-23.51,;7.31,-22.17,;1.02,-22.09,;1.49,-23.55,;.46,-24.69,;-1.08,-24.69,;-1.08,-26.23,;.46,-26.23,;-.45,-21.61,;-1.69,-22.51,)| Show InChI InChI=1S/C30H40N4O2/c1-31(2)27(35)24-13-15-26(16-14-24)33-22-29(34(28(33)36)21-23-9-8-10-23)17-19-30(20-18-29,32(3)4)25-11-6-5-7-12-25/h5-7,11-16,23H,8-10,17-22H2,1-4H3/t29-,30+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.600 | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469419
(US10807988, Example SC_3063 | cis-5-[1-[(1-Cyano-c...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(CCC2)C#N)c2ccc(nc2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.15,11.34,;4.92,10,;6.46,10,;4.15,8.67,;3.38,7.34,;1.84,7.34,;1.07,8.67,;.17,9.92,;-1.3,9.44,;-1.3,7.9,;-2.54,6.99,;.17,7.42,;.64,5.96,;-.39,4.81,;-1.93,4.81,;-1.93,3.27,;-.39,3.27,;.95,4.04,;2.28,3.27,;-2.39,10.53,;-1.99,12.02,;-3.08,13.1,;-4.56,12.71,;-4.96,11.22,;-3.87,10.13,;-5.9,13.48,;-7.23,14.25,;1.84,10,;3.38,10,;4.92,7.34,;4.15,6,;4.92,4.67,;6.46,4.67,;7.23,6,;6.46,7.34,)| Show InChI InChI=1S/C28H32N6O/c1-32(2)28(22-7-4-3-5-8-22)15-13-27(14-16-28)21-33(24-10-9-23(17-29)31-18-24)25(35)34(27)20-26(19-30)11-6-12-26/h3-5,7-10,18H,6,11-16,20-21H2,1-2H3/t27-,28+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.700 | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469354
(US10807988, Example SC_3005 | cis-5-[1-(Cyclobutyl...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(nc2)C(N)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(6.39,21.95,;4.9,22.35,;4.5,23.83,;3.81,21.26,;3.04,19.92,;1.5,19.92,;.73,21.26,;-.17,22.5,;-1.64,22.03,;-1.64,20.49,;-2.88,19.58,;-.17,20.01,;.31,18.55,;-.73,17.4,;-2.27,17.4,;-2.27,15.86,;-.73,15.86,;-2.72,23.12,;-2.33,24.6,;-3.41,25.69,;-4.9,25.29,;-5.3,23.81,;-4.21,22.72,;-5.99,26.38,;-5.59,27.87,;-7.48,25.98,;1.5,22.59,;3.04,22.59,;4.9,20.17,;4.5,18.68,;5.59,17.59,;7.08,17.99,;7.48,19.48,;6.39,20.57,)| Show InChI InChI=1S/C26H34N6O2/c1-30(2)26(20-9-4-3-5-10-20)13-11-25(12-14-26)18-31(21-15-28-23(22(27)33)29-16-21)24(34)32(25)17-19-7-6-8-19/h3-5,9-10,15-16,19H,6-8,11-14,17-18H2,1-2H3,(H2,27,33)/t25-,26+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.700 | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
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)) | 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 | |
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)) | BDBM469365
(US10807988, Example SC_3014 | cis-2-[1-(Cyclobutyl...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ncc(cn2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.52,9.91,;5.29,8.58,;6.83,8.58,;4.52,7.24,;3.75,5.91,;2.21,5.91,;1.44,7.24,;.53,8.49,;-.93,8.01,;-.93,6.47,;-2.18,5.57,;.53,6,;1.01,4.53,;-.02,3.39,;-1.56,3.39,;-1.56,1.85,;-.02,1.85,;-2.26,8.78,;-2.26,10.32,;-3.6,11.09,;-4.93,10.32,;-4.93,8.78,;-3.6,8.01,;-6.27,11.09,;-7.6,11.86,;2.21,8.58,;3.75,8.58,;5.29,5.91,;4.52,4.58,;5.29,3.24,;6.83,3.24,;7.6,4.58,;6.83,5.91,)| Show InChI InChI=1S/C26H32N6O/c1-30(2)26(22-9-4-3-5-10-22)13-11-25(12-14-26)19-31(23-28-16-21(15-27)17-29-23)24(33)32(25)18-20-7-6-8-20/h3-5,9-10,16-17,20H,6-8,11-14,18-19H2,1-2H3/t25-,26+ | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469398
(US10807988, Example SC_3041 | cis-5-[1-[(1-Cyano-c...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(CCC2)C#N)c2cnc(nc2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.2,23.24,;3.97,21.91,;5.51,21.91,;3.2,20.58,;2.43,19.24,;.89,19.24,;.12,20.58,;-.79,21.82,;-2.25,21.35,;-2.25,19.81,;-3.5,18.9,;-.79,19.33,;-.31,17.87,;-1.34,16.72,;-2.88,16.64,;-2.8,15.1,;-1.26,15.18,;.14,16.32,;1.63,15.92,;-3.5,22.25,;-3.34,23.78,;-4.58,24.69,;-5.99,24.06,;-6.15,22.53,;-4.91,21.62,;-7.24,24.97,;-8.33,26.06,;.89,21.91,;2.43,21.91,;3.97,19.24,;3.2,17.91,;3.97,16.57,;5.51,16.57,;6.28,17.91,;5.51,19.24,)| Show InChI InChI=1S/C27H31N7O/c1-32(2)27(21-7-4-3-5-8-21)13-11-26(12-14-27)20-33(22-16-30-23(15-28)31-17-22)24(35)34(26)19-25(18-29)9-6-10-25/h3-5,7-8,16-17H,6,9-14,19-20H2,1-2H3/t26-,27+ | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469405
(US10807988, Example SC_3048 | cis-4-[1-(Cyclobuty1...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccnc(n2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.33,-24.84,;3.85,-24.44,;3.45,-22.95,;2.76,-25.53,;1.99,-26.86,;.45,-26.86,;-.32,-25.53,;-1.23,-24.28,;-2.69,-24.76,;-2.69,-26.3,;-3.94,-27.2,;-1.23,-26.78,;-.75,-28.24,;-1.78,-29.38,;-3.32,-29.38,;-3.32,-30.92,;-1.78,-30.92,;-3.78,-23.67,;-5.27,-24.07,;-6.36,-22.98,;-5.96,-21.49,;-4.47,-21.09,;-3.38,-22.18,;-4.07,-19.61,;-3.67,-18.12,;.45,-24.2,;1.99,-24.2,;3.69,-26.75,;3.1,-28.17,;4.04,-29.4,;5.57,-29.2,;6.16,-27.77,;5.22,-26.55,)| Show InChI InChI=1S/C26H32N6O/c1-30(2)26(21-9-4-3-5-10-21)14-12-25(13-15-26)19-31(23-11-16-28-22(17-27)29-23)24(33)32(25)18-20-7-6-8-20/h3-5,9-11,16,20H,6-8,12-15,18-19H2,1-2H3/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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469708
(US10807988, Example SC_3344 | cis-8-Dimethylamino-...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)-c2cccc3C(=O)NCc23)CC1)c1ccccc1 |r,wU:6.11,3.2,(-1.54,-1.31,;-3.03,-.91,;-3.43,.58,;-4.12,-2,;-4.89,-3.33,;-6.43,-3.33,;-7.2,-2,;-8.1,-.75,;-9.57,-1.23,;-9.57,-2.77,;-10.9,-3.54,;-8.1,-3.24,;-10.58,-.18,;-10.19,1.31,;-11.27,2.39,;-12.76,2,;-13.16,.51,;-12.07,-.58,;-13.85,3.09,;-13.45,4.57,;-14.54,5.66,;-16.03,5.26,;-16.43,3.78,;-17.8,3.08,;-19.29,3.47,;-17.56,1.56,;-16.04,1.31,;-15.34,2.69,;-6.43,-.66,;-4.89,-.66,;-3.03,-3.09,;-3.43,-4.57,;-2.34,-5.66,;-.85,-5.26,;-.45,-3.78,;-1.54,-2.69,)| Show InChI InChI=1S/C28H30N6O2/c1-33(2)28(19-7-4-3-5-8-19)13-11-27(12-14-28)18-34(26(36)32-27)20-15-29-24(30-16-20)21-9-6-10-22-23(21)17-31-25(22)35/h3-10,15-16H,11-14,17-18H2,1-2H3,(H,31,35)(H,32,36)/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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469378
(US10807988, Example SC_3024 | cis-5-[8-Dimethylami...)Show SMILES CC(C)CN1C(=O)N(C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1)c1cnc(nc1)C#N |r,wU:9.9,12.16,(.13,-25.61,;-.34,-24.14,;-1.85,-23.82,;.69,-23,;.21,-21.53,;-1.25,-21.06,;-2.5,-21.96,;-1.25,-19.52,;.21,-19.04,;1.12,-20.29,;1.89,-21.62,;3.43,-21.62,;4.2,-20.29,;3.43,-18.95,;1.89,-18.95,;4.97,-18.95,;4.2,-17.62,;6.51,-18.95,;4.97,-21.62,;4.2,-22.95,;4.97,-24.29,;6.51,-24.29,;7.28,-22.95,;6.51,-21.62,;-2.5,-18.61,;-2.34,-17.08,;-3.58,-16.18,;-4.99,-16.8,;-5.15,-18.33,;-3.91,-19.24,;-6.24,-15.9,;-7.48,-14.99,)| Show InChI InChI=1S/C25H32N6O/c1-19(2)17-31-23(32)30(21-15-27-22(14-26)28-16-21)18-24(31)10-12-25(13-11-24,29(3)4)20-8-6-5-7-9-20/h5-9,15-16,19H,10-13,17-18H2,1-4H3/t24-,25+ | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469764
(US10807988, Example SC_3401 | cis-1-(Cyclobutyl-me...)Show SMILES CN[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(nc2)C(F)(F)F)CC1)c1cccc(F)c1 |r,wU:5.10,2.1,(12.36,-8.78,;13.13,-10.11,;12.36,-11.45,;11.59,-12.78,;10.05,-12.78,;9.28,-11.45,;8.37,-10.2,;6.91,-10.68,;6.91,-12.22,;5.58,-12.99,;8.37,-12.69,;9.14,-14.03,;8.37,-15.36,;6.83,-15.36,;6.83,-16.9,;8.37,-16.9,;5.82,-9.59,;6.22,-8.1,;5.13,-7.01,;3.64,-7.41,;3.24,-8.9,;4.33,-9.99,;2.55,-6.32,;1.07,-6.72,;2.95,-4.83,;1.46,-5.23,;10.05,-10.11,;11.59,-10.11,;13.13,-12.78,;12.36,-14.11,;13.13,-15.45,;14.67,-15.45,;15.44,-14.11,;16.98,-14.11,;14.67,-12.78,)| Show InChI InChI=1S/C25H29F4N5O/c1-30-24(18-6-3-7-19(26)12-18)10-8-23(9-11-24)16-33(22(35)34(23)15-17-4-2-5-17)20-13-31-21(32-14-20)25(27,28)29/h3,6-7,12-14,17,30H,2,4-5,8-11,15-16H2,1H3/t23-,24+ | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469432
(US10807988, Example SC_3073 | cis-1-(Cyclobutyl-me...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(nc2)C(F)(F)F)CC1)c1ccccc1 |r,wU:6.11,3.2,(2.77,-19.58,;3.54,-20.91,;5.08,-20.91,;2.77,-22.25,;2,-23.58,;.46,-23.58,;-.31,-22.25,;-1.22,-21,;-2.68,-21.48,;-2.68,-23.02,;-3.93,-23.92,;-1.22,-23.49,;-.74,-24.96,;-1.77,-26.1,;-3.31,-26.1,;-3.31,-27.64,;-1.77,-27.64,;-3.77,-20.39,;-3.37,-18.9,;-4.46,-17.81,;-5.95,-18.21,;-6.35,-19.7,;-5.26,-20.78,;-7.04,-17.12,;-8.12,-16.03,;-5.95,-16.03,;-8.12,-18.21,;.46,-20.91,;2,-20.91,;3.54,-23.58,;2.77,-24.91,;3.54,-26.25,;5.08,-26.25,;5.85,-24.91,;5.08,-23.58,)| Show InChI InChI=1S/C26H32F3N5O/c1-32(2)25(20-9-4-3-5-10-20)13-11-24(12-14-25)18-33(23(35)34(24)17-19-7-6-8-19)21-15-30-22(31-16-21)26(27,28)29/h3-5,9-10,15-16,19H,6-8,11-14,17-18H2,1-2H3/t24-,25+ | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM457042
(US10738015, Example SC-6)Show SMILES CN(C)C1(CC2(C1)CN(CC(=O)N1CCS(=O)(=O)CC1)C(=O)N2CC1CCC1)c1ccccc1 |(-3.15,.25,;-1.63,-.03,;-1.59,-1.57,;-.32,.77,;.77,-.32,;1.86,.77,;.77,1.86,;2.76,2.02,;4.23,1.54,;5.47,2.45,;5.31,3.98,;3.91,4.6,;6.56,4.88,;6.4,6.41,;7.64,7.32,;9.05,6.69,;9.73,8.08,;10.58,6.91,;9.21,5.16,;7.97,4.26,;4.23,,;5.47,-.91,;2.76,-.48,;2.29,-1.94,;3.32,-3.09,;4.86,-3.17,;4.78,-4.7,;3.24,-4.62,;-1.63,1.57,;-2.99,.84,;-4.3,1.64,;-4.26,3.18,;-2.9,3.92,;-1.59,3.11,)| Show InChI InChI=1S/C25H36N4O4S/c1-26(2)25(21-9-4-3-5-10-21)17-24(18-25)19-28(23(31)29(24)15-20-7-6-8-20)16-22(30)27-11-13-34(32,33)14-12-27/h3-5,9-10,20H,6-8,11-19H2,1-2H3 | 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 US10738015 (2020)
BindingDB Entry DOI: 10.7270/Q2X63R1R |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469395
(US10807988, Example SC_3038 | cis-1-(Cyclobutyl-me...)Show SMILES CN[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(nc2)C(F)(F)F)CC1)c1ccccc1 |r,wU:5.10,2.1,(4.02,11.95,;4.42,10.46,;3.33,9.37,;2.56,8.04,;1.02,8.04,;.25,9.37,;-.66,10.62,;-2.12,10.14,;-2.12,8.6,;-3.37,7.7,;-.66,8.13,;-.18,6.66,;-1.21,5.52,;-2.75,5.52,;-2.75,3.98,;-1.21,3.98,;-3.45,10.91,;-3.45,12.45,;-4.79,13.22,;-6.12,12.45,;-6.12,10.91,;-4.79,10.14,;-7.45,13.22,;-8.79,13.99,;-6.68,14.56,;-8.22,11.89,;1.02,10.71,;2.56,10.71,;4.66,8.6,;4.66,7.06,;6,6.29,;7.33,7.06,;7.33,8.6,;6,9.37,)| Show InChI InChI=1S/C25H30F3N5O/c1-29-24(19-8-3-2-4-9-19)12-10-23(11-13-24)17-32(22(34)33(23)16-18-6-5-7-18)20-14-30-21(31-15-20)25(26,27)28/h2-4,8-9,14-15,18,29H,5-7,10-13,16-17H2,1H3/t23-,24+ | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM469461
(US10807988, Example SC_3103 | cis-1-(Cyclobutyl-me...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(cc2C)C(F)(F)F)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.04,-5.47,;4.81,-6.8,;6.35,-6.8,;4.04,-8.13,;3.27,-9.47,;1.73,-9.47,;.96,-8.13,;.06,-6.89,;-1.41,-7.36,;-1.41,-8.9,;-2.65,-9.81,;.06,-9.38,;.53,-10.84,;-.5,-11.99,;-2.04,-11.99,;-2.04,-13.53,;-.5,-13.53,;-2.74,-6.59,;-4.07,-7.36,;-5.41,-6.59,;-5.41,-5.05,;-4.07,-4.28,;-2.74,-5.05,;-1.41,-4.28,;-6.74,-4.28,;-8.07,-3.51,;-5.97,-2.95,;-7.51,-5.62,;1.73,-6.8,;3.27,-6.8,;4.81,-9.47,;4.04,-10.8,;4.81,-12.14,;6.35,-12.14,;7.12,-10.8,;6.35,-9.47,)| Show InChI InChI=1S/C28H35F3N4O/c1-20-16-24(28(29,30)31)32-17-23(20)34-19-26(35(25(34)36)18-21-8-7-9-21)12-14-27(15-13-26,33(2)3)22-10-5-4-6-11-22/h4-6,10-11,16-17,21H,7-9,12-15,18-19H2,1-3H3/t26-,27+ | PDB
NCI pathway
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 hMOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl (pH 7.4)... |
US Patent US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM469460
(US10807988, Example SC_3102 | cis-1-[(1-Hydroxy-cy...)Show SMILES CN[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2cnc(nc2)N2CCNCC2)CC1)c1ccccc1 |r,wU:5.10,2.1,(5.47,7.44,;6.24,6.1,;5.47,4.77,;4.7,3.43,;3.16,3.43,;2.39,4.77,;1.48,6.01,;.02,5.54,;.02,4,;-1.23,3.09,;1.48,3.52,;1.96,2.06,;.93,.91,;2.42,.51,;-.61,.91,;-.61,-.63,;.93,-.63,;-1.16,6.53,;-2.61,6.01,;-3.78,7,;-3.51,8.52,;-2.06,9.04,;-.89,8.05,;-4.69,9.51,;-4.42,11.03,;-5.59,12.02,;-7.04,11.5,;-7.31,9.98,;-6.14,8.99,;3.16,6.1,;4.7,6.1,;6.24,3.43,;5.47,2.1,;6.24,.77,;7.78,.77,;8.55,2.1,;7.78,3.43,)| Show InChI InChI=1S/C28H39N7O2/c1-29-28(22-6-3-2-4-7-22)12-10-26(11-13-28)20-34(25(36)35(26)21-27(37)8-5-9-27)23-18-31-24(32-19-23)33-16-14-30-15-17-33/h2-4,6-7,18-19,29-30,37H,5,8-17,20-21H2,1H3/t26-,28+ | PDB
NCI pathway
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 hMOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl (pH 7.4)... |
US Patent US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469459
(US10807988, Example SC_3101 | cis-1-[(1-Hydroxy-cy...)Show SMILES CN[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2cnc(nc2)N2CCN(C)CC2)CC1)c1ccccc1 |r,wU:5.10,2.1,(4.75,23.16,;5.52,21.83,;4.75,20.49,;3.98,19.16,;2.44,19.16,;1.67,20.49,;.76,21.74,;-.7,21.26,;-.7,19.72,;-1.95,18.82,;.76,19.25,;1.24,17.78,;.21,16.64,;1.7,16.24,;-1.33,16.64,;-1.33,15.1,;.21,15.1,;-1.88,22.26,;-3.33,21.73,;-4.5,22.73,;-4.23,24.24,;-2.78,24.76,;-1.61,23.77,;-5.41,25.24,;-5.14,26.75,;-6.31,27.74,;-7.76,27.22,;-8.94,28.22,;-8.03,25.71,;-6.86,24.71,;2.44,21.83,;3.98,21.83,;5.52,19.16,;4.75,17.82,;5.52,16.49,;7.06,16.49,;7.83,17.82,;7.06,19.16,)| Show InChI InChI=1S/C29H41N7O2/c1-30-29(23-7-4-3-5-8-23)13-11-27(12-14-29)21-35(26(37)36(27)22-28(38)9-6-10-28)24-19-31-25(32-20-24)34-17-15-33(2)16-18-34/h3-5,7-8,19-20,30,38H,6,9-18,21-22H2,1-2H3/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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM469458
(US10807988, Example SC_3100 | cis-8-Dimethylamino-...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2cnc(nc2)N2CCNCC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.13,-7.04,;5.9,-8.37,;7.44,-8.37,;5.13,-9.7,;4.36,-11.04,;2.82,-11.04,;2.05,-9.7,;1.15,-8.46,;-.32,-8.93,;-.32,-10.47,;-1.57,-11.38,;1.15,-10.95,;1.62,-12.41,;.59,-13.56,;2.08,-13.96,;-.95,-13.56,;-.95,-15.1,;.59,-15.1,;-1.5,-7.94,;-2.94,-8.46,;-4.12,-7.47,;-3.85,-5.95,;-2.4,-5.43,;-1.22,-6.42,;-5.03,-4.96,;-4.75,-3.44,;-5.93,-2.45,;-7.38,-2.97,;-7.65,-4.49,;-6.47,-5.48,;2.82,-8.37,;4.36,-8.37,;5.9,-11.04,;5.13,-12.37,;5.9,-13.7,;7.44,-13.7,;8.21,-12.37,;7.44,-11.04,)| Show InChI InChI=1S/C29H41N7O2/c1-33(2)29(23-7-4-3-5-8-23)13-11-27(12-14-29)21-35(26(37)36(27)22-28(38)9-6-10-28)24-19-31-25(32-20-24)34-17-15-30-16-18-34/h3-5,7-8,19-20,30,38H,6,9-18,21-22H2,1-2H3/t27-,29+ | PDB
NCI pathway
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 hMOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl (pH 7.4)... |
US Patent US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469458
(US10807988, Example SC_3100 | cis-8-Dimethylamino-...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2cnc(nc2)N2CCNCC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.13,-7.04,;5.9,-8.37,;7.44,-8.37,;5.13,-9.7,;4.36,-11.04,;2.82,-11.04,;2.05,-9.7,;1.15,-8.46,;-.32,-8.93,;-.32,-10.47,;-1.57,-11.38,;1.15,-10.95,;1.62,-12.41,;.59,-13.56,;2.08,-13.96,;-.95,-13.56,;-.95,-15.1,;.59,-15.1,;-1.5,-7.94,;-2.94,-8.46,;-4.12,-7.47,;-3.85,-5.95,;-2.4,-5.43,;-1.22,-6.42,;-5.03,-4.96,;-4.75,-3.44,;-5.93,-2.45,;-7.38,-2.97,;-7.65,-4.49,;-6.47,-5.48,;2.82,-8.37,;4.36,-8.37,;5.9,-11.04,;5.13,-12.37,;5.9,-13.7,;7.44,-13.7,;8.21,-12.37,;7.44,-11.04,)| Show InChI InChI=1S/C29H41N7O2/c1-33(2)29(23-7-4-3-5-8-23)13-11-27(12-14-29)21-35(26(37)36(27)22-28(38)9-6-10-28)24-19-31-25(32-20-24)34-17-15-30-16-18-34/h3-5,7-8,19-20,30,38H,6,9-18,21-22H2,1-2H3/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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469355
(US10807988, Example SC_3006 | cis-5-[1-(Cyclobutyl...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(nc2C#N)S(C)(=O)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(6.83,9.12,;5.29,9.12,;4.52,10.45,;4.52,7.78,;3.75,6.45,;2.21,6.45,;1.44,7.78,;.53,9.03,;-.93,8.55,;-.93,7.01,;-2.18,6.11,;.53,6.54,;1.01,5.07,;-.02,3.93,;-1.56,3.93,;-1.56,2.39,;-.02,2.39,;-2.26,9.32,;-3.6,8.55,;-4.93,9.32,;-4.93,10.86,;-3.6,11.63,;-2.26,10.86,;-.93,11.63,;.4,12.4,;-6.27,11.63,;-6.27,10.09,;-6.27,13.17,;-7.6,10.86,;2.21,9.12,;3.75,9.12,;5.29,6.45,;4.52,5.11,;5.29,3.78,;6.83,3.78,;7.6,5.11,;6.83,6.45,)| Show InChI InChI=1S/C27H34N6O3S/c1-31(2)27(21-10-5-4-6-11-21)14-12-26(13-15-27)19-32(25(34)33(26)18-20-8-7-9-20)23-17-29-24(37(3,35)36)30-22(23)16-28/h4-6,10-11,17,20H,7-9,12-15,18-19H2,1-3H3/t26-,27+ | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
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)) | BDBM469445
(US10807988, Example SC_3086 | cis-1-(Cyclobutyl-me...)Show SMILES COc1ccc(N2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)c(OC)c1 |r,wU:8.24,11.14,(-7.92,25.09,;-6.58,25.86,;-5.25,25.09,;-5.25,23.55,;-3.92,22.78,;-2.58,23.55,;-1.25,22.78,;.16,23.41,;1.19,22.26,;2.09,21.02,;3.62,21.18,;4.25,22.58,;3.35,23.83,;1.81,23.67,;4.88,23.99,;6.41,24.15,;3.97,25.24,;5.34,21.49,;4.94,20.01,;6.03,18.92,;7.52,19.32,;7.92,20.8,;6.83,21.89,;.42,20.93,;1.04,19.52,;.14,18.28,;-1.38,18.03,;-1.14,16.51,;.38,16.75,;-1.09,21.25,;-2.23,20.22,;-2.58,25.09,;-1.25,25.86,;.08,25.09,;-3.92,25.86,)| Show InChI InChI=1S/C29H39N3O3/c1-30(2)29(23-11-6-5-7-12-23)17-15-28(16-18-29)21-31(27(33)32(28)20-22-9-8-10-22)25-14-13-24(34-3)19-26(25)35-4/h5-7,11-14,19,22H,8-10,15-18,20-21H2,1-4H3/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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469358
(US10807988, Example SC_3009 | cis-2-[1-(Cyclobutyl...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccccc2C(N)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.12,23,;3.58,23,;2.81,24.34,;2.81,21.67,;2.04,20.34,;.5,20.34,;-.27,21.67,;-1.18,22.92,;-2.64,22.44,;-2.64,20.9,;-3.89,20,;-1.18,20.42,;-.7,18.96,;-1.73,17.82,;-3.27,17.82,;-3.27,16.28,;-1.73,16.28,;-3.89,23.35,;-5.29,22.72,;-6.54,23.62,;-6.38,25.16,;-4.97,25.78,;-3.73,24.88,;-2.32,25.5,;-2.16,27.04,;-1.07,24.6,;.5,23,;2.04,23,;3.58,20.34,;2.81,19,;3.58,17.67,;5.12,17.67,;5.89,19,;5.12,20.34,)| Show InChI InChI=1S/C28H36N4O2/c1-30(2)28(22-11-4-3-5-12-22)17-15-27(16-18-28)20-31(24-14-7-6-13-23(24)25(29)33)26(34)32(27)19-21-9-8-10-21/h3-7,11-14,21H,8-10,15-20H2,1-2H3,(H2,29,33)/t27-,28+ | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469452
(US10807988, Example SC_3093 | cis-2-[1-(Cyclobutyl...)Show SMILES COc1ccc(N2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)c(c1)C#N |r,wU:8.24,11.14,(-7.41,-17.43,;-5.96,-16.9,;-4.79,-17.9,;-5.06,-19.41,;-3.88,-20.41,;-2.43,-19.88,;-1.26,-20.88,;.21,-20.4,;1.11,-21.65,;1.88,-22.98,;3.42,-22.98,;4.19,-21.65,;3.42,-20.31,;1.88,-20.31,;4.96,-20.31,;4.19,-18.98,;6.5,-20.31,;4.96,-22.98,;4.19,-24.32,;4.96,-25.65,;6.5,-25.65,;7.27,-24.32,;6.5,-22.98,;.21,-22.89,;.69,-24.36,;-.35,-25.5,;-1.89,-25.5,;-1.89,-27.04,;-.35,-27.04,;-1.26,-22.42,;-2.5,-23.32,;-2.16,-18.37,;-3.34,-17.38,;-.71,-17.85,;.62,-17.08,)| Show InChI InChI=1S/C29H36N4O2/c1-31(2)29(24-10-5-4-6-11-24)16-14-28(15-17-29)21-32(27(34)33(28)20-22-8-7-9-22)26-13-12-25(35-3)18-23(26)19-30/h4-6,10-13,18,22H,7-9,14-17,20-21H2,1-3H3/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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
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 | |
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)) | BDBM469449
(US10807988, Example SC_3090 | cis-2-[1-(Cyclobutyl...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccccc2C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.03,25.39,;3.8,24.05,;5.34,24.05,;3.03,22.72,;2.26,21.39,;.72,21.39,;-.05,22.72,;-.96,23.97,;-2.42,23.49,;-2.42,21.95,;-3.67,21.04,;-.96,21.47,;-.48,20.01,;-1.51,18.86,;-3.05,18.86,;-3.05,17.32,;-1.51,17.32,;-3.6,24.48,;-5.05,23.96,;-6.23,24.95,;-5.95,26.47,;-4.5,26.99,;-3.33,26,;-1.88,26.52,;-.43,27.04,;.72,24.05,;2.26,24.05,;3.8,21.39,;3.03,20.05,;3.8,18.72,;5.34,18.72,;6.11,20.05,;5.34,21.39,)| Show InChI InChI=1S/C28H34N4O/c1-30(2)28(24-12-4-3-5-13-24)17-15-27(16-18-28)21-31(25-14-7-6-11-23(25)19-29)26(33)32(27)20-22-9-8-10-22/h3-7,11-14,22H,8-10,15-18,20-21H2,1-2H3/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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469351
(US10807988, Example SC_3002 | cis-5-[1-(Cyclobutyl...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(cn2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(6.58,8.1,;5.1,8.5,;4.7,9.99,;4.01,7.41,;3.24,6.08,;1.7,6.08,;.93,7.41,;.02,8.66,;-1.44,8.18,;-1.44,6.64,;-2.69,5.74,;.02,6.17,;.5,4.7,;-.53,3.56,;-2.07,3.56,;-2.07,2.02,;-.53,2.02,;-2.69,9.09,;-4.1,8.46,;-5.34,9.37,;-5.18,10.9,;-3.77,11.52,;-2.53,10.62,;-6.43,11.8,;-7.67,12.71,;1.7,8.75,;3.24,8.75,;5.1,6.32,;4.7,4.84,;5.79,3.75,;7.27,4.15,;7.67,5.63,;6.58,6.72,)| Show InChI InChI=1S/C26H32N6O/c1-30(2)26(21-9-4-3-5-10-21)13-11-25(12-14-26)19-31(23-17-28-22(15-27)16-29-23)24(33)32(25)18-20-7-6-8-20/h3-5,9-10,16-17,20H,6-8,11-14,18-19H2,1-2H3/t25-,26+ | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469392
(US10807988, Example SC_3036 | cis-5-[8-Dimethylami...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(C)CCC2)c2cnc(nc2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.33,-19.55,;4.73,-21.04,;6.22,-21.44,;3.64,-22.13,;2.87,-23.46,;1.33,-23.46,;.56,-22.13,;-.34,-20.88,;-1.81,-21.36,;-1.81,-22.9,;-3.05,-23.8,;-.34,-23.37,;.13,-24.84,;-.9,-25.98,;.59,-26.38,;-2.44,-25.98,;-2.44,-27.52,;-.9,-27.52,;-2.9,-20.27,;-2.5,-18.78,;-3.59,-17.69,;-5.08,-18.09,;-5.47,-19.58,;-4.38,-20.67,;-6.16,-17,;-7.25,-15.91,;1.33,-20.79,;2.87,-20.79,;4.73,-23.22,;4.33,-24.7,;5.42,-25.79,;6.91,-25.4,;7.31,-23.91,;6.22,-22.82,)| Show InChI InChI=1S/C27H34N6O/c1-25(10-7-11-25)19-33-24(34)32(22-17-29-23(16-28)30-18-22)20-26(33)12-14-27(15-13-26,31(2)3)21-8-5-4-6-9-21/h4-6,8-9,17-18H,7,10-15,19-20H2,1-3H3/t26-,27+ | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469364
(US10807988, Example SC_3013 | cis-5-[8-Dimethylami...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2cnc(nc2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.91,23.35,;4.68,22.02,;6.22,22.02,;3.91,20.69,;3.14,19.35,;1.6,19.35,;.83,20.69,;-.08,21.93,;-1.54,21.46,;-1.54,19.92,;-2.79,19.01,;-.08,19.44,;.4,17.98,;-.63,16.83,;.86,16.43,;-2.17,16.83,;-2.17,15.29,;-.63,15.29,;-2.63,22.55,;-2.23,24.03,;-3.32,25.12,;-4.81,24.72,;-5.21,23.24,;-4.12,22.15,;-5.9,25.81,;-6.99,26.9,;1.6,22.02,;3.14,22.02,;4.68,19.35,;3.91,18.02,;4.68,16.69,;6.22,16.69,;6.99,18.02,;6.22,19.35,)| Show InChI InChI=1S/C26H32N6O2/c1-30(2)26(20-7-4-3-5-8-20)13-11-24(12-14-26)18-31(21-16-28-22(15-27)29-17-21)23(33)32(24)19-25(34)9-6-10-25/h3-5,7-8,16-17,34H,6,9-14,18-19H2,1-2H3/t24-,26+ | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM472053
(CIS-1-(Cyclobutyl-methyl)-8-dimethylamino-8-phenyl...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(Cc3ccncc3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.19,3.2,(-8.3,30.42,;-7.53,29.08,;-5.99,29.08,;-8.3,27.75,;-9.07,26.42,;-10.61,26.42,;-11.38,27.75,;-12.29,28.99,;-13.75,28.52,;-15.09,29.29,;-16.57,28.89,;-17.66,29.98,;-19.15,29.58,;-19.55,28.09,;-18.46,27,;-16.97,27.4,;-13.75,26.98,;-15.09,26.21,;-12.29,26.5,;-11.89,25.02,;-12.98,23.93,;-14.52,23.93,;-14.52,22.39,;-12.98,22.39,;-10.61,29.08,;-9.07,29.08,;-7.53,26.42,;-8.3,25.08,;-7.53,23.75,;-5.99,23.75,;-5.22,25.08,;-5.99,26.42,)| Show InChI InChI=1S/C27H36N4O/c1-29(2)27(24-9-4-3-5-10-24)15-13-26(14-16-27)21-30(19-23-11-17-28-18-12-23)25(32)31(26)20-22-7-6-8-22/h3-5,9-12,17-18,22H,6-8,13-16,19-21H2,1-2H3/t26-,27+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.5 | 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 | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469433
(US10807988, Example SC_3074 | cis-5-[1-(Cyclobutyl...)Show SMILES COC(=O)c1cc(C)c(cn1)N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:13.30,16.20,(-7.73,26.2,;-6.64,25.11,;-5.15,25.51,;-4.76,27,;-4.07,24.42,;-2.58,24.82,;-1.49,23.73,;-0,24.13,;-1.89,22.24,;-3.38,21.84,;-4.46,22.93,;-.8,21.15,;.67,21.63,;1.57,20.38,;2.34,19.05,;3.88,19.05,;4.65,20.38,;3.88,21.72,;2.34,21.72,;5.42,21.72,;4.65,23.05,;6.96,21.72,;5.42,19.05,;4.65,17.72,;5.42,16.38,;6.96,16.38,;7.73,17.72,;6.96,19.05,;.67,19.14,;1.14,17.67,;.11,16.53,;-1.43,16.53,;-1.43,14.99,;.11,14.99,;-.8,19.61,;-2.04,18.71,)| Show InChI InChI=1S/C29H38N4O3/c1-21-17-24(26(34)36-4)30-18-25(21)32-20-28(33(27(32)35)19-22-9-8-10-22)13-15-29(16-14-28,31(2)3)23-11-6-5-7-12-23/h5-7,11-12,17-18,22H,8-10,13-16,19-20H2,1-4H3/t28-,29+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469444
(US10807988, Example SC_3085 | cis-1-(Cyclobutyl-me...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccc(nc2)C(F)(F)F)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.18,-18.61,;4.95,-19.94,;6.49,-19.94,;4.18,-21.27,;3.41,-22.61,;1.87,-22.61,;1.1,-21.27,;.19,-20.03,;-1.27,-20.5,;-1.27,-22.04,;-2.52,-22.95,;.19,-22.52,;.67,-23.99,;-.36,-25.13,;-1.9,-25.13,;-1.9,-26.67,;-.36,-26.67,;-2.36,-19.42,;-3.85,-19.81,;-4.94,-18.73,;-4.54,-17.24,;-3.05,-16.84,;-1.96,-17.93,;-5.63,-16.15,;-7.11,-16.55,;-5.23,-14.66,;-6.71,-15.06,;1.87,-19.94,;3.41,-19.94,;4.95,-22.61,;4.18,-23.94,;4.95,-25.28,;6.49,-25.28,;7.26,-23.94,;6.49,-22.61,)| Show InChI InChI=1S/C27H33F3N4O/c1-32(2)26(21-9-4-3-5-10-21)15-13-25(14-16-26)19-33(24(35)34(25)18-20-7-6-8-20)22-11-12-23(31-17-22)27(28,29)30/h3-5,9-12,17,20H,6-8,13-16,18-19H2,1-2H3/t25-,26+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469438
(US10807988, Example SC_3079 | cis-1-(Cyclobutyl-me...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ncc(F)cn2)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.44,10.6,;4.21,9.26,;5.75,9.26,;3.44,7.93,;2.67,6.6,;1.13,6.6,;.36,7.93,;-.54,9.17,;-2.01,8.7,;-2.01,7.16,;-3.25,6.25,;-.54,6.68,;-.07,5.22,;-1.1,4.07,;-2.64,4.07,;-2.64,2.53,;-1.1,2.53,;-3.1,9.79,;-2.7,11.28,;-3.79,12.36,;-5.28,11.97,;-6.36,13.05,;-5.67,10.48,;-4.59,9.39,;1.13,9.26,;2.67,9.26,;4.21,6.6,;3.44,5.26,;4.21,3.93,;5.75,3.93,;6.52,5.26,;5.75,6.6,)| Show InChI InChI=1S/C25H32FN5O/c1-29(2)25(20-9-4-3-5-10-20)13-11-24(12-14-25)18-30(22-27-15-21(26)16-28-22)23(32)31(24)17-19-7-6-8-19/h3-5,9-10,15-16,19H,6-8,11-14,17-18H2,1-2H3/t24-,25+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469439
(US10807988, Example SC_3080 | cis-4-[1-(Cyclobutyl...)Show SMILES COc1cc(ccc1N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O)C#N |r,wU:10.27,13.17,(.45,-4.1,;-.64,-3.01,;-2.13,-3.41,;-3.22,-2.32,;-4.7,-2.72,;-5.1,-4.21,;-4.01,-5.3,;-2.53,-4.9,;-1.44,-5.99,;.03,-5.51,;.93,-6.76,;1.7,-8.09,;3.24,-8.09,;4.01,-6.76,;3.24,-5.42,;1.7,-5.42,;4.78,-5.42,;4.01,-4.09,;6.32,-5.42,;4.78,-8.09,;4.01,-9.42,;4.78,-10.76,;6.32,-10.76,;7.09,-9.42,;6.32,-8.09,;.03,-8,;.5,-9.47,;-.53,-10.61,;-2.07,-10.61,;-2.07,-12.15,;-.53,-12.15,;-1.44,-7.53,;-2.68,-8.43,;-5.79,-1.63,;-6.88,-.54,)| Show InChI InChI=1S/C29H36N4O2/c1-31(2)29(24-10-5-4-6-11-24)16-14-28(15-17-29)21-32(27(34)33(28)20-22-8-7-9-22)25-13-12-23(19-30)18-26(25)35-3/h4-6,10-13,18,22H,7-9,14-17,20-21H2,1-3H3/t28-,29+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469374
(US10807988, Example SC_3021 | cis-4-[1-(Cyclobutyl...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccc(cc2)C(N)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.65,22.35,;5.42,21.02,;6.96,21.02,;4.65,19.68,;3.88,18.35,;2.34,18.35,;1.57,19.68,;.66,20.93,;-.8,20.45,;-.8,18.91,;-2.05,18.01,;.66,18.44,;1.14,16.97,;.11,15.83,;-1.43,15.83,;-1.43,14.29,;.11,14.29,;-2.05,21.36,;-1.89,22.89,;-3.13,23.8,;-4.54,23.17,;-4.7,21.64,;-3.45,20.73,;-5.79,24.08,;-7.19,23.45,;-5.62,25.61,;2.34,21.02,;3.88,21.02,;5.42,18.35,;4.65,17.02,;5.42,15.68,;6.96,15.68,;7.73,17.02,;6.96,18.35,)| Show InChI InChI=1S/C28H36N4O2/c1-30(2)28(23-9-4-3-5-10-23)17-15-27(16-18-28)20-31(24-13-11-22(12-14-24)25(29)33)26(34)32(27)19-21-7-6-8-21/h3-5,9-14,21H,6-8,15-20H2,1-2H3,(H2,29,33)/t27-,28+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.80 | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM472091
(CIS-1-(Cyclobutyl-methyl)-8-dimethylamino-3-[(4-hy...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(Cc3ccc(O)cc3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.20,3.2,(13.65,-10.08,;14.42,-11.41,;15.96,-11.41,;13.65,-12.75,;12.88,-14.08,;11.34,-14.08,;10.57,-12.75,;9.67,-11.5,;8.2,-11.98,;6.87,-11.21,;5.54,-11.98,;4.2,-11.21,;2.87,-11.98,;2.87,-13.52,;1.54,-14.29,;4.2,-14.29,;5.54,-13.52,;8.2,-13.52,;6.87,-14.29,;9.67,-13.99,;10.07,-15.48,;8.98,-16.57,;7.44,-16.57,;7.44,-18.11,;8.98,-18.11,;11.34,-11.41,;12.88,-11.41,;14.42,-14.08,;13.65,-15.41,;14.42,-16.75,;15.96,-16.75,;16.73,-15.41,;15.96,-14.08,)| Show InChI InChI=1S/C28H37N3O2/c1-29(2)28(24-9-4-3-5-10-24)17-15-27(16-18-28)21-30(19-23-11-13-25(32)14-12-23)26(33)31(27)20-22-7-6-8-22/h3-5,9-14,22,32H,6-8,15-21H2,1-2H3/t27-,28+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.80 | 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)) | BDBM469383
(US10807988, Example SC_3029 | cis-4-[1-(Cyclobutyl...)Show SMILES CCN(CCO)C(=O)c1ccc(cc1)N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:16.33,19.23,(-4.33,22.55,;-5.55,23.48,;-5.39,25.01,;-6.64,25.92,;-8.04,25.29,;-9.29,26.2,;-3.98,25.64,;-3.82,27.17,;-2.74,24.74,;-1.33,25.36,;-.09,24.46,;-.25,22.93,;-1.65,22.3,;-2.9,23.2,;1,22.02,;2.46,22.5,;3.37,21.25,;4.14,19.92,;5.68,19.92,;6.45,21.25,;5.68,22.58,;4.14,22.58,;7.22,22.58,;6.45,23.92,;8.76,22.58,;7.22,19.92,;6.45,18.58,;7.22,17.25,;8.76,17.25,;9.53,18.58,;8.76,19.92,;2.46,20,;2.94,18.54,;1.91,17.4,;.37,17.4,;.37,15.86,;1.91,15.86,;1,20.48,;-.25,19.58,)| Show InChI InChI=1S/C32H44N4O3/c1-4-34(21-22-37)29(38)26-13-15-28(16-14-26)35-24-31(36(30(35)39)23-25-9-8-10-25)17-19-32(20-18-31,33(2)3)27-11-6-5-7-12-27/h5-7,11-16,25,37H,4,8-10,17-24H2,1-3H3/t31-,32+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.80 | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM469443
(US10807988, Example SC_3084 | cis-1-(Cyclobutyl-me...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccc(cc2S(C)(=O)=O)C(F)(F)F)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.18,-2.97,;4.95,-4.3,;6.49,-4.3,;4.18,-5.63,;3.41,-6.97,;1.87,-6.97,;1.1,-5.63,;.19,-4.39,;-1.27,-4.86,;-1.27,-6.4,;-2.52,-7.31,;.19,-6.88,;.67,-8.34,;-.36,-9.49,;-1.9,-9.49,;-1.9,-11.03,;-.36,-11.03,;-2.36,-3.78,;-3.85,-4.17,;-4.94,-3.08,;-4.54,-1.6,;-3.05,-1.2,;-1.96,-2.29,;-.47,-1.89,;.62,-2.98,;-.87,-.4,;.62,-.8,;-5.63,-.51,;-7.11,-.91,;-5.23,.98,;-6.71,.58,;1.87,-4.3,;3.41,-4.3,;4.95,-6.97,;4.18,-8.3,;4.95,-9.64,;6.49,-9.64,;7.26,-8.3,;6.49,-6.97,)| Show InChI InChI=1S/C29H36F3N3O3S/c1-33(2)28(22-10-5-4-6-11-22)16-14-27(15-17-28)20-34(26(36)35(27)19-21-8-7-9-21)24-13-12-23(29(30,31)32)18-25(24)39(3,37)38/h4-6,10-13,18,21H,7-9,14-17,19-20H2,1-3H3/t27-,28+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.80 | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM472089
(CIS-3-[[1-(Cyclobutyl-methyl)-8-dimethylamino-2-ox...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(Cc3cccc(c3)C(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(-6.82,-10.71,;-6.05,-12.04,;-4.51,-12.04,;-6.82,-13.38,;-7.59,-14.71,;-9.13,-14.71,;-9.9,-13.38,;-10.8,-12.13,;-12.27,-12.61,;-13.6,-11.84,;-14.93,-12.61,;-14.93,-14.15,;-16.27,-14.92,;-17.6,-14.15,;-17.6,-12.61,;-16.27,-11.84,;-18.94,-11.84,;-20.27,-12.61,;-18.94,-10.3,;-12.27,-14.15,;-13.6,-14.92,;-10.8,-14.62,;-10.4,-16.11,;-11.49,-17.2,;-13.03,-17.2,;-13.03,-18.74,;-11.49,-18.74,;-9.13,-12.04,;-7.59,-12.04,;-6.05,-14.71,;-6.82,-16.04,;-6.05,-17.38,;-4.51,-17.38,;-3.74,-16.04,;-4.51,-14.71,)| Show InChI InChI=1S/C29H38N4O2/c1-31(2)29(25-12-4-3-5-13-25)16-14-28(15-17-29)21-32(27(35)33(28)20-22-8-6-9-22)19-23-10-7-11-24(18-23)26(30)34/h3-5,7,10-13,18,22H,6,8-9,14-17,19-21H2,1-2H3,(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
| 1.90 | 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)) | BDBM469577
(US10807988, Example SC_3207 | US10807988, Example ...)Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)-c2cccc3NC(=O)Cc23)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.8,8.92,;4.57,7.58,;6.11,7.58,;3.8,6.25,;3.03,4.92,;1.49,4.92,;.72,6.25,;-.19,7.5,;-1.65,7.02,;-1.65,5.48,;-2.9,4.58,;-.19,5,;-2.74,8.11,;-2.34,9.6,;-3.43,10.69,;-4.92,10.29,;-5.32,8.8,;-4.23,7.71,;-6.01,11.38,;-7.5,10.98,;-8.59,12.07,;-8.19,13.55,;-6.7,13.95,;-6,15.32,;-4.48,15.08,;-3.39,16.17,;-4.24,13.56,;-5.61,12.86,;1.49,7.58,;3.03,7.58,;4.57,4.92,;3.8,3.58,;4.57,2.25,;6.11,2.25,;6.88,3.58,;6.11,4.92,)| Show InChI InChI=1S/C28H30N6O2/c1-33(2)28(19-7-4-3-5-8-19)13-11-27(12-14-28)18-34(26(36)32-27)20-16-29-25(30-17-20)21-9-6-10-23-22(21)15-24(35)31-23/h3-10,16-17H,11-15,18H2,1-2H3,(H,31,35)(H,32,36)/t27-,28+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 2 | 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 US10807988 (2020)
BindingDB Entry DOI: 10.7270/Q25Q5060 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM457046
(US10738015, Example SC-10 | cis-5-(5-(cyclobutylme...)Show SMILES COc1nc(ncc1N1C[C@]2(C[C@@](C2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O)C#N |r,wU:10.11,12.15,(-5.42,.22,;-3.89,.38,;-3.26,1.78,;-4.17,3.03,;-3.54,4.44,;-2.01,4.6,;-1.1,3.35,;-1.73,1.95,;-.82,.7,;-1.3,-.77,;-.05,-1.67,;-1.14,-2.76,;-.05,-3.85,;1.03,-2.76,;1.28,-4.62,;1.28,-6.16,;2.61,-3.85,;-1.39,-4.62,;-2.72,-3.85,;-4.06,-4.62,;-4.06,-6.16,;-2.72,-6.93,;-1.39,-6.16,;1.19,-.77,;2.66,-1.24,;3.8,-.21,;5.34,-.29,;5.42,1.25,;3.88,1.33,;.72,.7,;1.62,1.95,;-4.45,5.68,;-5.35,6.93,)| Show InChI InChI=1S/C25H30N6O2/c1-29(2)25(19-10-5-4-6-11-19)15-24(16-25)17-30(23(32)31(24)14-18-8-7-9-18)20-13-27-21(12-26)28-22(20)33-3/h4-6,10-11,13,18H,7-9,14-17H2,1-3H3/t24-,25+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 2 | 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 US10738015 (2020)
BindingDB Entry DOI: 10.7270/Q2X63R1R |
More data for this
Ligand-Target Pair | |
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