Found 125 hits Enz. Inhib. hit(s) with Target = 'Nociceptin/mu opioid receptor' 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
(RAT) | BDBM50087691
(8-(4-Isopropyl-cyclohexyl)-1-phenyl-1,3,8-triaza-s...)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:6.9,3.2,(2.69,-2.68,;3.46,-4.01,;2.69,-5.35,;5,-4.02,;5.77,-2.69,;7.31,-2.69,;8.06,-4.02,;7.31,-5.35,;5.77,-5.35,;9.6,-4.02,;10.37,-2.68,;11.91,-2.67,;12.68,-4.01,;11.91,-5.34,;10.37,-5.34,;13.56,-5.26,;15.03,-4.79,;15.03,-3.25,;13.59,-2.76,;13.1,-1.31,;13.1,-6.7,;11.58,-7.03,;11.11,-8.49,;12.14,-9.64,;13.66,-9.32,;14.12,-7.85,)| Show InChI InChI=1S/C22H33N3O/c1-17(2)18-8-10-19(11-9-18)24-14-12-22(13-15-24)21(26)23-16-25(22)20-6-4-3-5-7-20/h3-7,17-19H,8-16H2,1-2H3,(H,23,26)/t18-,19+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.0790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1 |
Bioorg Med Chem Lett 10: 831-4 (2000)
BindingDB Entry DOI: 10.7270/Q2N29XG2 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50087692
(8-Cyclodecyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)Show InChI InChI=1S/C23H35N3O/c27-22-23(26(19-24-22)21-13-9-6-10-14-21)15-17-25(18-16-23)20-11-7-4-2-1-3-5-8-12-20/h6,9-10,13-14,20H,1-5,7-8,11-12,15-19H2,(H,24,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.0820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1 |
Bioorg Med Chem Lett 10: 831-4 (2000)
BindingDB Entry DOI: 10.7270/Q2N29XG2 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50087687
(8-Cyclononyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)Show InChI InChI=1S/C22H33N3O/c26-21-22(25(18-23-21)20-12-8-5-9-13-20)14-16-24(17-15-22)19-10-6-3-1-2-4-7-11-19/h5,8-9,12-13,19H,1-4,6-7,10-11,14-18H2,(H,23,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1 |
Bioorg Med Chem Lett 10: 831-4 (2000)
BindingDB Entry DOI: 10.7270/Q2N29XG2 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM21842
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by PDSP Ki Database
| |
J Chem Neuroanat 25: 233-47 (2003)
Article DOI: 10.1016/s0891-0618(03)00032-2
BindingDB Entry DOI: 10.7270/Q2XP73G2 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50087698
(8-(R)-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro...)Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1Cc2cccc3cccc1c23 Show InChI InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)/t22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1 |
Bioorg Med Chem Lett 10: 831-4 (2000)
BindingDB Entry DOI: 10.7270/Q2N29XG2 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50087697
(8-Cycloundecyl-1-phenyl-1,3,8-triaza-spiro[4.5]dec...)Show InChI InChI=1S/C24H37N3O/c28-23-24(27(20-25-23)22-14-10-7-11-15-22)16-18-26(19-17-24)21-12-8-5-3-1-2-4-6-9-13-21/h7,10-11,14-15,21H,1-6,8-9,12-13,16-20H2,(H,25,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1 |
Bioorg Med Chem Lett 10: 831-4 (2000)
BindingDB Entry DOI: 10.7270/Q2N29XG2 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50087685
(8-Cyclododecyl-1-phenyl-1,3,8-triaza-spiro[4.5]dec...)Show InChI InChI=1S/C25H39N3O/c29-24-25(28(21-26-24)23-15-11-8-12-16-23)17-19-27(20-18-25)22-13-9-6-4-2-1-3-5-7-10-14-22/h8,11-12,15-16,22H,1-7,9-10,13-14,17-21H2,(H,26,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1 |
Bioorg Med Chem Lett 10: 831-4 (2000)
BindingDB Entry DOI: 10.7270/Q2N29XG2 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50087690
(8-Bicyclohexyl-4-yl-1-phenyl-1,3,8-triaza-spiro[4....)Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CC[C@@H](CC1)C1CCCCC1 |wU:17.19,20.26,(14.26,-1.31,;14.73,-2.76,;16.19,-3.25,;16.19,-4.79,;14.72,-5.26,;14.26,-6.7,;12.74,-7.03,;12.27,-8.49,;13.3,-9.64,;14.8,-9.32,;15.28,-7.85,;13.82,-4.01,;13.07,-2.67,;11.53,-2.68,;10.76,-4.02,;11.53,-5.34,;13.07,-5.34,;9.22,-4.02,;8.45,-2.69,;6.91,-2.69,;6.14,-4.02,;6.91,-5.35,;8.47,-5.35,;4.6,-4.01,;3.85,-5.35,;2.29,-5.34,;1.54,-4,;2.31,-2.67,;3.85,-2.68,)| Show InChI InChI=1S/C25H37N3O/c29-24-25(28(19-26-24)23-9-5-2-6-10-23)15-17-27(18-16-25)22-13-11-21(12-14-22)20-7-3-1-4-8-20/h2,5-6,9-10,20-22H,1,3-4,7-8,11-19H2,(H,26,29)/t21-,22+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1 |
Bioorg Med Chem Lett 10: 831-4 (2000)
BindingDB Entry DOI: 10.7270/Q2N29XG2 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50087684
(8-Cyclooctyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)Show InChI InChI=1S/C21H31N3O/c25-20-21(24(17-22-20)19-11-7-4-8-12-19)13-15-23(16-14-21)18-9-5-2-1-3-6-10-18/h4,7-8,11-12,18H,1-3,5-6,9-10,13-17H2,(H,22,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1 |
Bioorg Med Chem Lett 10: 831-4 (2000)
BindingDB Entry DOI: 10.7270/Q2N29XG2 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50087693
(1-Phenyl-8-(4-propyl-cyclohexyl)-1,3,8-triaza-spir...)Show SMILES CCC[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:6.9,3.2,(1.92,-2.67,;3.46,-2.68,;4.23,-4.01,;5.77,-4.02,;6.54,-2.69,;8.08,-2.69,;8.83,-4.02,;8.08,-5.35,;6.54,-5.35,;10.37,-4.02,;11.14,-2.68,;12.68,-2.67,;13.45,-4.01,;12.68,-5.34,;11.14,-5.34,;14.33,-5.26,;15.8,-4.79,;15.8,-3.25,;14.36,-2.76,;13.87,-1.31,;13.87,-6.7,;12.35,-7.03,;11.88,-8.49,;12.91,-9.64,;14.43,-9.32,;14.89,-7.85,)| Show InChI InChI=1S/C22H33N3O/c1-2-6-18-9-11-19(12-10-18)24-15-13-22(14-16-24)21(26)23-17-25(22)20-7-4-3-5-8-20/h3-5,7-8,18-19H,2,6,9-17H2,1H3,(H,23,26)/t18-,19+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1 |
Bioorg Med Chem Lett 10: 831-4 (2000)
BindingDB Entry DOI: 10.7270/Q2N29XG2 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM86660
(OFQ/N UFP-102)Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O Show InChI InChI=1S/C73H123FN28O17/c1-41(92-57(107)39-91-70(119)59(43(3)104)102-68(117)53(34-44-24-26-46(74)27-25-44)94-58(108)38-90-56(106)37-89-55(105)36-85-35-45-16-5-4-6-17-45)61(110)96-50(21-13-31-86-71(79)80)65(114)99-49(20-9-12-30-77)67(116)101-54(40-103)69(118)93-42(2)62(111)97-51(22-14-32-87-72(81)82)66(115)98-48(19-8-11-29-76)64(113)100-52(23-15-33-88-73(83)84)63(112)95-47(60(78)109)18-7-10-28-75/h4-6,16-17,24-27,41-43,47-54,59,85,103-104H,7-15,18-23,28-40,75-77H2,1-3H3,(H2,78,109)(H,89,105)(H,90,106)(H,91,119)(H,92,107)(H,93,118)(H,94,108)(H,95,112)(H,96,110)(H,97,111)(H,98,115)(H,99,114)(H,100,113)(H,101,116)(H,102,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t41-,42-,43+,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Section of Pharmacology
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 312: 1114-23 (2005)
Article DOI: 10.1124/jpet.104.077339
BindingDB Entry DOI: 10.7270/Q2222SC4 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50087683
(8-(4-tert-Butyl-cyclohexyl)-1-phenyl-1,3,8-triaza-...)Show SMILES CC(C)(C)[C@@H]1CC[C@@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:7.10,4.3,(3.06,-2.68,;3.83,-4.01,;3.06,-5.35,;2.29,-4,;5.37,-4.02,;6.14,-5.35,;7.7,-5.35,;8.45,-4.02,;7.68,-2.69,;6.14,-2.69,;9.99,-4.02,;10.76,-2.68,;12.3,-2.67,;13.05,-4.01,;12.3,-5.34,;10.76,-5.34,;13.95,-5.26,;15.42,-4.79,;15.42,-3.25,;13.96,-2.76,;13.49,-1.31,;13.49,-6.7,;14.51,-7.85,;14.03,-9.32,;12.53,-9.64,;11.5,-8.49,;11.97,-7.03,)| Show InChI InChI=1S/C23H35N3O/c1-22(2,3)18-9-11-19(12-10-18)25-15-13-23(14-16-25)21(27)24-17-26(23)20-7-5-4-6-8-20/h4-8,18-19H,9-17H2,1-3H3,(H,24,27)/t18-,19+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1 |
Bioorg Med Chem Lett 10: 831-4 (2000)
BindingDB Entry DOI: 10.7270/Q2N29XG2 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50087689
(8-(4-Isopropyl-cyclohexyl)-1-phenyl-1,3,8-triaza-s...)Show SMILES CC(C)[C@H]1CC[C@@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:6.9,wD:3.2,(2.69,-2.68,;3.46,-4.01,;2.69,-5.35,;5,-4.02,;5.77,-5.35,;7.31,-5.35,;8.06,-4.02,;7.31,-2.69,;5.77,-2.69,;9.6,-4.02,;10.37,-2.68,;11.91,-2.67,;12.68,-4.01,;11.91,-5.34,;10.37,-5.34,;13.56,-5.26,;15.03,-4.79,;15.03,-3.25,;13.59,-2.76,;13.1,-1.31,;13.1,-6.7,;11.58,-7.03,;11.11,-8.49,;12.14,-9.64,;13.66,-9.32,;14.12,-7.85,)| Show InChI InChI=1S/C22H33N3O/c1-17(2)18-8-10-19(11-9-18)24-14-12-22(13-15-24)21(26)23-16-25(22)20-6-4-3-5-7-20/h3-7,17-19H,8-16H2,1-2H3,(H,23,26)/t18-,19- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1 |
Bioorg Med Chem Lett 10: 831-4 (2000)
BindingDB Entry DOI: 10.7270/Q2N29XG2 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50087686
(8-Cycloheptyl-1-phenyl-1,3,8-triaza-spiro[4.5]deca...)Show InChI InChI=1S/C20H29N3O/c24-19-20(23(16-21-19)18-10-6-3-7-11-18)12-14-22(15-13-20)17-8-4-1-2-5-9-17/h3,6-7,10-11,17H,1-2,4-5,8-9,12-16H2,(H,21,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1 |
Bioorg Med Chem Lett 10: 831-4 (2000)
BindingDB Entry DOI: 10.7270/Q2N29XG2 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50087694
(8-(4-Methyl-cyclohexyl)-1-phenyl-1,3,8-triaza-spir...)Show SMILES C[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:4.7,1.0,(3.06,-4.01,;4.6,-4.02,;5.37,-2.69,;6.91,-2.69,;7.68,-4.02,;6.93,-5.35,;5.37,-5.35,;9.22,-4.02,;9.99,-2.68,;11.53,-2.67,;12.28,-4.01,;11.53,-5.34,;9.99,-5.34,;13.18,-5.26,;14.65,-4.79,;14.65,-3.25,;13.19,-2.76,;12.72,-1.31,;12.72,-6.7,;11.2,-7.03,;10.73,-8.49,;11.76,-9.64,;13.26,-9.32,;13.74,-7.85,)| Show InChI InChI=1S/C20H29N3O/c1-16-7-9-17(10-8-16)22-13-11-20(12-14-22)19(24)21-15-23(20)18-5-3-2-4-6-18/h2-6,16-17H,7-15H2,1H3,(H,21,24)/t16-,17+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1 |
Bioorg Med Chem Lett 10: 831-4 (2000)
BindingDB Entry DOI: 10.7270/Q2N29XG2 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50167767
(((2S,3aS,12bS)-11-Fluoro-2,3,3a,12b-tetrahydro-1,8...)Show SMILES CN(C)C[C@@H]1C[C@@H]2[C@H](O1)c1cc(F)ccc1Oc1ccccc21 Show InChI InChI=1S/C19H20FNO2/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15-,19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand |
Bioorg Med Chem Lett 15: 2898-901 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.076
BindingDB Entry DOI: 10.7270/Q29C6X0N |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50087701
(8-(4-tert-Butyl-cyclohexyl)-1-phenyl-1,3,8-triaza-...)Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:7.10,wD:4.3,(3.06,-2.68,;3.83,-4.01,;3.06,-5.35,;2.29,-4,;5.37,-4.02,;6.14,-5.35,;7.7,-5.35,;8.45,-4.02,;7.68,-2.69,;6.14,-2.69,;9.99,-4.02,;10.76,-2.68,;12.3,-2.67,;13.05,-4.01,;12.3,-5.34,;10.76,-5.34,;13.95,-5.26,;15.42,-4.79,;15.42,-3.25,;13.96,-2.76,;13.49,-1.31,;13.49,-6.7,;14.51,-7.85,;14.03,-9.32,;12.53,-9.64,;11.5,-8.49,;11.97,-7.03,)| Show InChI InChI=1S/C23H35N3O/c1-22(2,3)18-9-11-19(12-10-18)25-15-13-23(14-16-25)21(27)24-17-26(23)20-7-5-4-6-8-20/h4-8,18-19H,9-17H2,1-3H3,(H,24,27)/t18-,19- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1 |
Bioorg Med Chem Lett 10: 831-4 (2000)
BindingDB Entry DOI: 10.7270/Q2N29XG2 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50167760
(((2S,3aS,12bS)-11-Chloro-2,3,3a,12b-tetrahydro-1,8...)Show SMILES CN(C)C[C@@H]1C[C@@H]2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21 Show InChI InChI=1S/C19H20ClNO2/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15-,19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand |
Bioorg Med Chem Lett 15: 2898-901 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.076
BindingDB Entry DOI: 10.7270/Q29C6X0N |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50087695
(8-Cyclohexyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)Show InChI InChI=1S/C19H27N3O/c23-18-19(22(15-20-18)17-9-5-2-6-10-17)11-13-21(14-12-19)16-7-3-1-4-8-16/h2,5-6,9-10,16H,1,3-4,7-8,11-15H2,(H,20,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1 |
Bioorg Med Chem Lett 10: 831-4 (2000)
BindingDB Entry DOI: 10.7270/Q2N29XG2 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50167755
(((2R,3aS,12bS)-11-Chloro-2,3,3a,12b-tetrahydro-1,8...)Show SMILES CN(C)C[C@H]1C[C@@H]2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21 Show InChI InChI=1S/C19H20ClNO2/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15+,19+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand |
Bioorg Med Chem Lett 15: 2898-901 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.076
BindingDB Entry DOI: 10.7270/Q29C6X0N |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50167763
(((2R,3aS,12bS)-11-Fluoro-2,3,3a,12b-tetrahydro-1,8...)Show SMILES CN(C)C[C@H]1C[C@@H]2[C@H](O1)c1cc(F)ccc1Oc1ccccc21 Show InChI InChI=1S/C19H20FNO2/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15+,19+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand |
Bioorg Med Chem Lett 15: 2898-901 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.076
BindingDB Entry DOI: 10.7270/Q29C6X0N |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50087699
(8-(4-Methyl-cyclohexyl)-1-phenyl-1,3,8-triaza-spir...)Show SMILES C[C@H]1CC[C@@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:4.7,wD:1.0,(3.06,-4.01,;4.6,-4.02,;5.37,-5.35,;6.93,-5.35,;7.68,-4.02,;6.91,-2.69,;5.37,-2.69,;9.22,-4.02,;9.99,-2.68,;11.53,-2.67,;12.28,-4.01,;11.53,-5.34,;9.99,-5.34,;13.18,-5.26,;14.65,-4.79,;14.65,-3.25,;13.19,-2.76,;12.72,-1.31,;12.72,-6.7,;11.2,-7.03,;10.73,-8.49,;11.76,-9.64,;13.26,-9.32,;13.74,-7.85,)| Show InChI InChI=1S/C20H29N3O/c1-16-7-9-17(10-8-16)22-13-11-20(12-14-22)19(24)21-15-23(20)18-5-3-2-4-6-18/h2-6,16-17H,7-15H2,1H3,(H,21,24)/t16-,17- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1 |
Bioorg Med Chem Lett 10: 831-4 (2000)
BindingDB Entry DOI: 10.7270/Q2N29XG2 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50087688
(1-Phenyl-8-(4-propyl-cyclohexyl)-1,3,8-triaza-spir...)Show SMILES CCC[C@H]1CC[C@@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:6.9,wD:3.2,(1.92,-2.67,;3.46,-2.68,;4.23,-4.01,;5.77,-4.02,;6.54,-5.35,;8.08,-5.35,;8.83,-4.02,;8.08,-2.69,;6.54,-2.69,;10.37,-4.02,;11.14,-2.68,;12.68,-2.67,;13.45,-4.01,;12.68,-5.34,;11.14,-5.34,;14.33,-5.26,;15.8,-4.79,;15.8,-3.25,;14.36,-2.76,;13.87,-1.31,;13.87,-6.7,;12.35,-7.03,;11.88,-8.49,;12.91,-9.64,;14.43,-9.32,;14.89,-7.85,)| Show InChI InChI=1S/C22H33N3O/c1-2-6-18-9-11-19(12-10-18)24-15-13-22(14-16-24)21(26)23-17-25(22)20-7-4-3-5-8-20/h3-5,7-8,18-19H,2,6,9-17H2,1H3,(H,23,26)/t18-,19- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1 |
Bioorg Med Chem Lett 10: 831-4 (2000)
BindingDB Entry DOI: 10.7270/Q2N29XG2 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50167768
(((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,8-...)Show SMILES CN(C)C[C@@H]1C[C@@H]2[C@H](O1)c1cc(Br)ccc1Oc1ccccc21 Show InChI InChI=1S/C19H20BrNO2/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15-,19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand |
Bioorg Med Chem Lett 15: 2898-901 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.076
BindingDB Entry DOI: 10.7270/Q29C6X0N |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM85822
(Demethyl-AMPA | OFQ/N | OFQ/N (1-11) | OFQ/N (1-11...)Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 57.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Section of Pharmacology
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 312: 1114-23 (2005)
Article DOI: 10.1124/jpet.104.077339
BindingDB Entry DOI: 10.7270/Q2222SC4 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50167754
(CHEMBL194994 | Dimethyl-[(2R,3aS,12bR)-1-(2,3,3a,1...)Show SMILES CN(C)C[C@H]1C[C@@H]2[C@@H](O1)c1ccccc1Oc1ccccc21 Show InChI InChI=1S/C19H21NO2/c1-20(2)12-13-11-16-14-7-3-5-9-17(14)22-18-10-6-4-8-15(18)19(16)21-13/h3-10,13,16,19H,11-12H2,1-2H3/t13-,16+,19+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand |
Bioorg Med Chem Lett 15: 2898-901 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.076
BindingDB Entry DOI: 10.7270/Q29C6X0N |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50167762
(((2S,3aS,12bS)-11-Methoxy-2,3,3a,12b-tetrahydro-1,...)Show SMILES COc1ccc2Oc3ccccc3[C@@H]3C[C@@H](CN(C)C)O[C@@H]3c2c1 Show InChI InChI=1S/C20H23NO3/c1-21(2)12-14-11-16-15-6-4-5-7-18(15)24-19-9-8-13(22-3)10-17(19)20(16)23-14/h4-10,14,16,20H,11-12H2,1-3H3/t14-,16-,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand |
Bioorg Med Chem Lett 15: 2898-901 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.076
BindingDB Entry DOI: 10.7270/Q29C6X0N |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50146344
(CHEMBL330713 | Dimethyl-[(3aS,12bS)-1-(2,3,3a,12b-...)Show SMILES CN(C)CC1C[C@@H]2[C@H](O1)c1ccccc1Oc1ccccc21 Show InChI InChI=1S/C19H21NO2/c1-20(2)12-13-11-16-14-7-3-5-9-17(14)22-18-10-6-4-8-15(18)19(16)21-13/h3-10,13,16,19H,11-12H2,1-2H3/t13?,16-,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand |
Bioorg Med Chem Lett 15: 2898-901 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.076
BindingDB Entry DOI: 10.7270/Q29C6X0N |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50167753
(8-((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,...)Show SMILES Cc1ccc2on(C[C@@H]3C[C@@H]4[C@H](O3)c3cc(Br)ccc3Oc3ccccc43)c2c1 Show InChI InChI=1S/C24H20BrNO3/c1-14-6-8-23-20(10-14)26(29-23)13-16-12-18-17-4-2-3-5-21(17)28-22-9-7-15(25)11-19(22)24(18)27-16/h2-11,16,18,24H,12-13H2,1H3/t16-,18-,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand |
Bioorg Med Chem Lett 15: 2898-901 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.076
BindingDB Entry DOI: 10.7270/Q29C6X0N |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50167759
(((2R,3aS,12bS)-11-Methoxy-2,3,3a,12b-tetrahydro-1,...)Show SMILES COc1ccc2Oc3ccccc3[C@@H]3C[C@H](CN(C)C)O[C@@H]3c2c1 Show InChI InChI=1S/C20H23NO3/c1-21(2)12-14-11-16-15-6-4-5-7-18(15)24-19-9-8-13(22-3)10-17(19)20(16)23-14/h4-10,14,16,20H,11-12H2,1-3H3/t14-,16+,20+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 116 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand |
Bioorg Med Chem Lett 15: 2898-901 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.076
BindingDB Entry DOI: 10.7270/Q29C6X0N |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50167766
(((2R,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,8-...)Show SMILES CN(C)C[C@H]1C[C@@H]2[C@H](O1)c1cc(Br)ccc1Oc1ccccc21 Show InChI InChI=1S/C19H20BrNO2/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15+,19+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 125 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand |
Bioorg Med Chem Lett 15: 2898-901 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.076
BindingDB Entry DOI: 10.7270/Q29C6X0N |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50167756
(8-((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,...)Show SMILES Brc1ccc2Oc3ccccc3[C@@H]3C[C@@H](Cn4oc5ccc(cc45)C#N)O[C@@H]3c2c1 Show InChI InChI=1S/C24H17BrN2O3/c25-15-6-8-22-19(10-15)24-18(17-3-1-2-4-21(17)29-22)11-16(28-24)13-27-20-9-14(12-26)5-7-23(20)30-27/h1-10,16,18,24H,11,13H2/t16-,18-,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 142 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand |
Bioorg Med Chem Lett 15: 2898-901 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.076
BindingDB Entry DOI: 10.7270/Q29C6X0N |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50087700
(8-Bicyclohexyl-4-yl-1-phenyl-1,3,8-triaza-spiro[4....)Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CC[C@@H](CC1)C1CCCCC1 |wU:17.19,wD:20.26,(14.26,-1.31,;14.73,-2.76,;16.19,-3.25,;16.19,-4.79,;14.72,-5.26,;14.26,-6.7,;12.74,-7.03,;12.27,-8.49,;13.3,-9.64,;14.8,-9.32,;15.28,-7.85,;13.82,-4.01,;13.07,-2.67,;11.53,-2.68,;10.76,-4.02,;11.53,-5.34,;13.07,-5.34,;9.22,-4.02,;8.47,-5.35,;6.91,-5.35,;6.14,-4.02,;6.91,-2.69,;8.45,-2.69,;4.6,-4.01,;3.85,-5.35,;2.29,-5.34,;1.54,-4,;2.31,-2.67,;3.85,-2.68,)| Show InChI InChI=1S/C25H37N3O/c29-24-25(28(19-26-24)23-9-5-2-6-10-23)15-17-27(18-16-25)22-13-11-21(12-14-22)20-7-3-1-4-8-20/h2,5-6,9-10,20-22H,1,3-4,7-8,11-19H2,(H,26,29)/t21-,22- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1 |
Bioorg Med Chem Lett 10: 831-4 (2000)
BindingDB Entry DOI: 10.7270/Q2N29XG2 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50087696
(8-Cyclopentadecyl-1-phenyl-1,3,8-triaza-spiro[4.5]...)Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCCCCCCCC1 Show InChI InChI=1S/C28H45N3O/c32-27-28(31(24-29-27)26-18-14-11-15-19-26)20-22-30(23-21-28)25-16-12-9-7-5-3-1-2-4-6-8-10-13-17-25/h11,14-15,18-19,25H,1-10,12-13,16-17,20-24H2,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1 |
Bioorg Med Chem Lett 10: 831-4 (2000)
BindingDB Entry DOI: 10.7270/Q2N29XG2 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50167769
(8-((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,...)Show SMILES Nc1ccc2on(C[C@@H]3C[C@@H]4[C@H](O3)c3cc(Br)ccc3Oc3ccccc43)c2c1 Show InChI InChI=1S/C23H19BrN2O3/c24-13-5-7-21-18(9-13)23-17(16-3-1-2-4-20(16)28-21)11-15(27-23)12-26-19-10-14(25)6-8-22(19)29-26/h1-10,15,17,23H,11-12,25H2/t15-,17-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand |
Bioorg Med Chem Lett 15: 2898-901 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.076
BindingDB Entry DOI: 10.7270/Q29C6X0N |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50167761
(CHEMBL427007 | [8-((2S,3aS,12bS)-11-Bromo-2,3,3a,1...)Show SMILES CN(C)c1ccc2on(C[C@@H]3C[C@@H]4[C@H](O3)c3cc(Br)ccc3Oc3ccccc43)c2c1 Show InChI InChI=1S/C25H23BrN2O3/c1-27(2)16-8-10-24-21(12-16)28(31-24)14-17-13-19-18-5-3-4-6-22(18)30-23-9-7-15(26)11-20(23)25(19)29-17/h3-12,17,19,25H,13-14H2,1-2H3/t17-,19-,25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand |
Bioorg Med Chem Lett 15: 2898-901 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.076
BindingDB Entry DOI: 10.7270/Q29C6X0N |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50167758
(1-[8-((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro...)Show SMILES Brc1ccc2Oc3ccccc3[C@@H]3C[C@@H](Cn4oc5ccc(cc45)N4CCC4=O)O[C@@H]3c2c1 Show InChI InChI=1S/C26H21BrN2O4/c27-15-5-7-23-20(11-15)26-19(18-3-1-2-4-22(18)32-23)13-17(31-26)14-29-21-12-16(6-8-24(21)33-29)28-10-9-25(28)30/h1-8,11-12,17,19,26H,9-10,13-14H2/t17-,19-,26-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand |
Bioorg Med Chem Lett 15: 2898-901 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.076
BindingDB Entry DOI: 10.7270/Q29C6X0N |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50167771
(8-((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,...)Show SMILES Brc1ccc2Oc3ccccc3[C@@H]3C[C@@H](Cn4oc5ccc(CN6CCOCC6)cc45)O[C@@H]3c2c1 Show InChI InChI=1S/C28H27BrN2O4/c29-19-6-8-26-23(14-19)28-22(21-3-1-2-4-25(21)34-26)15-20(33-28)17-31-24-13-18(5-7-27(24)35-31)16-30-9-11-32-12-10-30/h1-8,13-14,20,22,28H,9-12,15-17H2/t20-,22-,28-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand |
Bioorg Med Chem Lett 15: 2898-901 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.076
BindingDB Entry DOI: 10.7270/Q29C6X0N |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50167770
(8-((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,...)Show SMILES Brc1ccc2Oc3ccccc3[C@@H]3C[C@@H](Cn4oc5ccc(cc45)-c4ccccc4)O[C@@H]3c2c1 Show InChI InChI=1S/C29H22BrNO3/c30-20-11-13-27-24(15-20)29-23(22-8-4-5-9-26(22)33-27)16-21(32-29)17-31-25-14-19(10-12-28(25)34-31)18-6-2-1-3-7-18/h1-15,21,23,29H,16-17H2/t21-,23-,29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand |
Bioorg Med Chem Lett 15: 2898-901 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.076
BindingDB Entry DOI: 10.7270/Q29C6X0N |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50167764
(8-((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,...)Show SMILES Brc1ccc2Oc3ccccc3[C@@H]3C[C@@H](Cn4oc5ccc(cc45)N4CCOCC4)O[C@@H]3c2c1 Show InChI InChI=1S/C27H25BrN2O4/c28-17-5-7-25-22(13-17)27-21(20-3-1-2-4-24(20)33-25)15-19(32-27)16-30-23-14-18(6-8-26(23)34-30)29-9-11-31-12-10-29/h1-8,13-14,19,21,27H,9-12,15-16H2/t19-,21-,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand |
Bioorg Med Chem Lett 15: 2898-901 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.076
BindingDB Entry DOI: 10.7270/Q29C6X0N |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50167765
(8-((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,...)Show SMILES CCOC(=O)c1ccc2on(C[C@@H]3C[C@@H]4[C@H](O3)c3cc(Br)ccc3Oc3ccccc43)c2c1 Show InChI InChI=1S/C26H22BrNO5/c1-2-30-26(29)15-7-9-24-21(11-15)28(33-24)14-17-13-19-18-5-3-4-6-22(18)32-23-10-8-16(27)12-20(23)25(19)31-17/h3-12,17,19,25H,2,13-14H2,1H3/t17-,19-,25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand |
Bioorg Med Chem Lett 15: 2898-901 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.076
BindingDB Entry DOI: 10.7270/Q29C6X0N |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM86254
(OFQ II 1-17)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O Show InChI InChI=1S/C92H141N23O28S2/c1-47(2)38-62(82(133)113-67(44-117)87(138)105-60(34-37-145-8)81(132)102-57(26-30-71(95)122)79(130)112-69(46-119)89(140)114-68(45-118)88(139)106-61(91(142)143)27-31-72(96)123)110-90(141)74(49(5)6)115-85(136)63(39-48(3)4)107-84(135)65(42-52-21-23-53(120)24-22-52)109-77(128)56(25-29-70(94)121)101-76(127)55(20-15-35-99-92(97)98)100-80(131)59(33-36-144-7)104-83(134)64(41-51-18-13-10-14-19-51)108-78(129)58(28-32-73(124)125)103-86(137)66(43-116)111-75(126)54(93)40-50-16-11-9-12-17-50/h9-14,16-19,21-24,47-49,54-69,74,116-120H,15,20,25-46,93H2,1-8H3,(H2,94,121)(H2,95,122)(H2,96,123)(H,100,131)(H,101,127)(H,102,132)(H,103,137)(H,104,134)(H,105,138)(H,106,139)(H,107,135)(H,108,129)(H,109,128)(H,110,141)(H,111,126)(H,112,130)(H,113,133)(H,114,140)(H,115,136)(H,124,125)(H,142,143)(H4,97,98,99)/t54?,55-,56-,57-,58+,59+,60-,61-,62-,63-,64+,65-,66-,67-,68-,69-,74-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by PDSP Ki Database
| |
J Chem Neuroanat 25: 233-47 (2003)
Article DOI: 10.1016/s0891-0618(03)00032-2
BindingDB Entry DOI: 10.7270/Q2XP73G2 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM86252
(CAS_0 | NSC_0 | OFQ II 1-28)Show SMILES CSCC[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CO)C(=O)N[C@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](C(C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C(C)C)C(N)=O |wU:55.63,74.83,85.92,34.43,94.98,22.22,8.10,115.117,130.132,145.147,167.169,185.187,203.206,232.235,wD:66.71,46.52,26.30,100.102,14.18,4.4,124.126,136.138,156.158,178.180,193.195,212.215,224.227,(21.05,-3.66,;22.39,-2.89,;22.39,-1.35,;23.72,-.58,;23.72,.96,;25.06,1.73,;26.39,.96,;26.39,-.58,;27.73,1.73,;27.73,3.27,;29.06,4.04,;29.06,.96,;30.4,1.73,;30.4,3.27,;31.73,.96,;31.73,-.58,;30.4,-1.35,;29.06,-.58,;30.4,-2.89,;33.07,1.73,;34.4,.96,;34.4,-.58,;35.74,1.73,;37.07,.96,;38.41,1.73,;38.41,3.27,;39.74,.96,;39.74,-.58,;38.41,-1.35,;37.07,-.58,;38.41,-2.89,;41.08,1.73,;42.41,.96,;42.41,-.58,;43.75,1.73,;43.75,3.27,;42.41,4.04,;42.41,5.58,;41.08,6.35,;39.74,5.58,;38.41,6.35,;39.74,4.04,;41.08,3.27,;45.08,.96,;46.42,1.73,;46.42,3.27,;47.75,.96,;47.75,-.58,;46.42,-1.35,;46.42,-2.89,;45.08,-3.66,;47.75,-3.66,;49.09,1.73,;50.42,.96,;50.42,-.58,;51.76,1.73,;51.76,3.27,;53.09,4.04,;53.09,5.58,;54.42,6.35,;54.42,7.89,;53.33,8.97,;55.76,8.66,;53.09,.96,;54.43,1.73,;54.43,3.27,;55.76,.96,;57.1,1.73,;58.43,.96,;59.76,1.73,;61.1,.96,;54.99,-.38,;55.76,-1.71,;57.3,-1.71,;54.99,-3.05,;54,-4.23,;54.53,-5.67,;53.54,-6.85,;54.07,-8.3,;55.59,-8.57,;56.58,-7.38,;56.05,-5.94,;56.17,-4.03,;57.69,-3.76,;58.21,-2.31,;58.68,-4.94,;58.28,-6.42,;59.37,-7.51,;58.97,-9,;60.31,-9.77,;57.49,-9.4,;60.2,-4.66,;61.19,-5.84,;60.67,-7.29,;62.71,-5.57,;63.11,-4.08,;64.59,-3.68,;63.7,-6.74,;65.22,-6.47,;65.74,-5.02,;66.21,-7.65,;67.39,-6.65,;67.21,-8.82,;68.72,-8.55,;69.71,-9.73,;71.23,-9.45,;71.75,-8.01,;70.76,-6.83,;69.24,-7.1,;35.74,3.27,;34.4,4.04,;37.07,4.04,;22.39,1.73,;22.39,3.27,;21.05,.96,;19.72,1.73,;19.72,3.27,;21.05,4.04,;21.05,5.58,;22.38,6.35,;19.72,6.35,;18.38,.96,;18.38,-.58,;17.05,1.73,;15.71,.96,;15.71,-.58,;17.04,-1.35,;14.38,1.73,;14.38,3.27,;13.04,.96,;11.71,1.73,;11.71,3.27,;13.04,4.04,;10.37,.96,;10.37,-.58,;9.04,1.73,;7.7,.96,;7.7,-.58,;6.37,-1.35,;6.37,-2.89,;5.03,-3.66,;7.7,-3.66,;6.36,1.73,;6.36,3.27,;5.03,.96,;3.7,1.73,;3.7,3.27,;5.03,4.04,;5.03,5.58,;6.36,6.35,;6.36,7.89,;7.7,8.66,;5.03,8.66,;2.36,.96,;2.36,-.58,;1.03,1.73,;-.31,.96,;-.31,-.58,;-1.64,-1.35,;-1.64,-2.89,;-2.98,-3.66,;-2.98,-5.2,;-1.64,-5.97,;-4.31,-5.97,;-1.64,1.73,;-1.64,3.27,;-2.98,.96,;-4.31,1.73,;-4.31,3.27,;-2.98,4.04,;-2.98,5.58,;-1.65,6.35,;-1.65,7.89,;-.31,8.66,;-2.98,8.66,;-5.65,.96,;-5.65,-.58,;-6.98,1.73,;-8.32,.96,;-8.32,-.58,;-9.65,-1.35,;-6.99,-1.35,;-9.65,1.73,;-9.65,3.27,;-10.99,.96,;-12.32,1.73,;-12.32,3.27,;-13.66,4.04,;-14.99,3.27,;-13.66,5.58,;-13.66,.96,;-13.66,-.58,;-14.99,1.73,;-16.33,.96,;-16.33,-.58,;-17.66,-1.35,;-17.74,-2.89,;-19.23,-3.29,;-20.07,-2,;-19.1,-.8,;-17.66,1.73,;-17.66,3.27,;-19,.96,;-20.33,1.73,;-20.33,3.27,;-19,4.04,;-19,5.58,;-17.67,6.35,;-20.33,6.35,;-21.67,.96,;-21.67,-.58,;-23,1.73,;-24.34,.96,;-24.34,-.58,;-25.67,-1.35,;-25.67,-2.89,;-27.01,-.58,;-25.67,1.73,;-25.67,3.27,;-27.01,.96,;-28.34,1.73,;-29.68,.96,;-29.68,-.58,;-31.01,1.73,;-32.35,.96,;-32.35,-.58,;-33.68,-1.35,;-35.02,-.58,;-33.68,-2.89,;-33.68,1.73,;-33.68,3.27,;-35.02,.96,;-36.35,1.73,;-36.35,3.27,;-35.02,4.04,;-37.69,4.04,;-37.69,.96,;-39.02,1.73,;-37.69,-.58,)| Show InChI InChI=1S/C146H235N49O42S2/c1-70(2)54-93(130(225)185-98(60-79-63-163-69-169-79)134(229)177-88(38-43-107(150)204)124(219)186-99(61-109(152)206)118(213)168-64-111(208)170-100(62-110(153)207)136(231)193-113(73(7)8)116(154)211)188-142(237)115(75(11)200)195-129(224)85(31-23-51-167-146(161)162)174-120(215)82(28-20-48-164-143(155)156)171-119(214)83(29-21-49-165-144(157)158)172-122(217)86(36-41-105(148)202)178-138(233)103(67-198)192-140(235)104(68-199)190-126(221)89(39-44-108(151)205)176-128(223)92(47-53-239-13)181-139(234)102(66-197)191-131(226)94(55-71(3)4)187-141(236)114(74(9)10)194-135(230)95(56-72(5)6)182-133(228)97(59-78-32-34-80(201)35-33-78)184-123(218)87(37-42-106(149)203)175-121(216)84(30-22-50-166-145(159)160)173-127(222)91(46-52-238-12)180-132(227)96(58-77-26-18-15-19-27-77)183-125(220)90(40-45-112(209)210)179-137(232)101(65-196)189-117(212)81(147)57-76-24-16-14-17-25-76/h14-19,24-27,32-35,63,69-75,81-104,113-115,196-201H,20-23,28-31,36-62,64-68,147H2,1-13H3,(H2,148,202)(H2,149,203)(H2,150,204)(H2,151,205)(H2,152,206)(H2,153,207)(H2,154,211)(H,163,169)(H,168,213)(H,170,208)(H,171,214)(H,172,217)(H,173,222)(H,174,215)(H,175,216)(H,176,223)(H,177,229)(H,178,233)(H,179,232)(H,180,227)(H,181,234)(H,182,228)(H,183,220)(H,184,218)(H,185,225)(H,186,219)(H,187,236)(H,188,237)(H,189,212)(H,190,221)(H,191,226)(H,192,235)(H,193,231)(H,194,230)(H,195,224)(H,209,210)(H4,155,156,164)(H4,157,158,165)(H4,159,160,166)(H4,161,162,167)/t75?,81-,82+,83+,84+,85+,86+,87+,88+,89+,90-,91-,92+,93+,94+,95+,96-,97+,98+,99+,100+,101+,102+,103+,104+,113+,114+,115+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by PDSP Ki Database
| |
J Chem Neuroanat 25: 233-47 (2003)
Article DOI: 10.1016/s0891-0618(03)00032-2
BindingDB Entry DOI: 10.7270/Q2XP73G2 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50274454
(CHEMBL511107 | FGGFTGARKSARKKKNQ)Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C82H137N29O22/c1-45(99-64(117)43-98-79(131)66(47(3)113)111-77(129)58(39-49-22-8-5-9-23-49)101-65(118)42-96-63(116)41-97-69(121)50(87)38-48-20-6-4-7-21-48)67(119)102-55(28-18-36-94-81(90)91)72(124)107-54(27-13-17-35-86)75(127)110-60(44-112)78(130)100-46(2)68(120)103-56(29-19-37-95-82(92)93)73(125)105-52(25-11-15-33-84)70(122)104-51(24-10-14-32-83)71(123)106-53(26-12-16-34-85)74(126)109-59(40-62(89)115)76(128)108-57(80(132)133)30-31-61(88)114/h4-9,20-23,45-47,50-60,66,112-113H,10-19,24-44,83-87H2,1-3H3,(H2,88,114)(H2,89,115)(H,96,116)(H,97,121)(H,98,131)(H,99,117)(H,100,130)(H,101,118)(H,102,119)(H,103,120)(H,104,122)(H,105,125)(H,106,123)(H,107,124)(H,108,128)(H,109,126)(H,110,127)(H,111,129)(H,132,133)(H4,90,91,94)(H4,92,93,95)/t45-,46-,47+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]nociceptin from rat ORL1 receptor expressed in african green monkey COS7 cells |
Bioorg Med Chem 16: 9261-7 (2008)
Article DOI: 10.1016/j.bmc.2008.09.014
BindingDB Entry DOI: 10.7270/Q2MC90XH |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50274449
(CHEMBL505874 | FGGFTGARKSARKRKNQ)Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C82H137N31O22/c1-44(101-63(119)42-100-78(133)65(46(3)115)113-76(131)57(38-48-21-8-5-9-22-48)103-64(120)41-98-62(118)40-99-68(123)49(86)37-47-19-6-4-7-20-47)66(121)104-53(26-16-34-95-80(89)90)70(125)108-52(25-12-15-33-85)74(129)112-59(43-114)77(132)102-45(2)67(122)105-54(27-17-35-96-81(91)92)71(126)106-50(23-10-13-31-83)69(124)109-55(28-18-36-97-82(93)94)72(127)107-51(24-11-14-32-84)73(128)111-58(39-61(88)117)75(130)110-56(79(134)135)29-30-60(87)116/h4-9,19-22,44-46,49-59,65,114-115H,10-18,23-43,83-86H2,1-3H3,(H2,87,116)(H2,88,117)(H,98,118)(H,99,123)(H,100,133)(H,101,119)(H,102,132)(H,103,120)(H,104,121)(H,105,122)(H,106,126)(H,107,127)(H,108,125)(H,109,124)(H,110,130)(H,111,128)(H,112,129)(H,113,131)(H,134,135)(H4,89,90,95)(H4,91,92,96)(H4,93,94,97)/t44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyushu University
Curated by ChEMBL
| Assay Description
Displacement of [3H]nociceptin from rat ORL1 receptor expressed in african green monkey COS7 cells by competitive binding assay |
Bioorg Med Chem 17: 5683-7 (2009)
Article DOI: 10.1016/j.bmc.2009.06.015
BindingDB Entry DOI: 10.7270/Q2GB2435 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50274452
(CHEMBL506825 | FGGFTGARKSARKKRNQ)Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C82H137N31O22/c1-44(101-63(119)42-100-78(133)65(46(3)115)113-76(131)57(38-48-21-8-5-9-22-48)103-64(120)41-98-62(118)40-99-68(123)49(86)37-47-19-6-4-7-20-47)66(121)104-53(26-16-34-95-80(89)90)71(126)108-52(25-12-15-33-85)74(129)112-59(43-114)77(132)102-45(2)67(122)105-54(27-17-35-96-81(91)92)72(127)107-50(23-10-13-31-83)69(124)106-51(24-11-14-32-84)70(125)109-55(28-18-36-97-82(93)94)73(128)111-58(39-61(88)117)75(130)110-56(79(134)135)29-30-60(87)116/h4-9,19-22,44-46,49-59,65,114-115H,10-18,23-43,83-86H2,1-3H3,(H2,87,116)(H2,88,117)(H,98,118)(H,99,123)(H,100,133)(H,101,119)(H,102,132)(H,103,120)(H,104,121)(H,105,122)(H,106,124)(H,107,127)(H,108,126)(H,109,125)(H,110,130)(H,111,128)(H,112,129)(H,113,131)(H,134,135)(H4,89,90,95)(H4,91,92,96)(H4,93,94,97)/t44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]nociceptin from rat ORL1 receptor expressed in african green monkey COS7 cells |
Bioorg Med Chem 16: 9261-7 (2008)
Article DOI: 10.1016/j.bmc.2008.09.014
BindingDB Entry DOI: 10.7270/Q2MC90XH |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50274449
(CHEMBL505874 | FGGFTGARKSARKRKNQ)Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C82H137N31O22/c1-44(101-63(119)42-100-78(133)65(46(3)115)113-76(131)57(38-48-21-8-5-9-22-48)103-64(120)41-98-62(118)40-99-68(123)49(86)37-47-19-6-4-7-20-47)66(121)104-53(26-16-34-95-80(89)90)70(125)108-52(25-12-15-33-85)74(129)112-59(43-114)77(132)102-45(2)67(122)105-54(27-17-35-96-81(91)92)71(126)106-50(23-10-13-31-83)69(124)109-55(28-18-36-97-82(93)94)72(127)107-51(24-11-14-32-84)73(128)111-58(39-61(88)117)75(130)110-56(79(134)135)29-30-60(87)116/h4-9,19-22,44-46,49-59,65,114-115H,10-18,23-43,83-86H2,1-3H3,(H2,87,116)(H2,88,117)(H,98,118)(H,99,123)(H,100,133)(H,101,119)(H,102,132)(H,103,120)(H,104,121)(H,105,122)(H,106,126)(H,107,127)(H,108,125)(H,109,124)(H,110,130)(H,111,128)(H,112,129)(H,113,131)(H,134,135)(H4,89,90,95)(H4,91,92,96)(H4,93,94,97)/t44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]nociceptin from rat ORL1 receptor expressed in african green monkey COS7 cells |
Bioorg Med Chem 16: 9261-7 (2008)
Article DOI: 10.1016/j.bmc.2008.09.014
BindingDB Entry DOI: 10.7270/Q2MC90XH |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50296841
(CHEMBL556388 | FGGFTGARKSARKWRNQ)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r,wU:1.1,73.75,89.90,42.44,112.115,26.27,131.134,58.59,3.3,wD:78.79,7.15,47.48,98.99,123.126,67.68,(7.64,-2.95,;8.97,-3.72,;10.31,-2.96,;8.96,-5.26,;7.62,-6.03,;6.29,-5.25,;6.3,-3.71,;4.95,-6.01,;4.94,-7.55,;6.27,-8.33,;6.25,-9.86,;7.58,-10.64,;8.92,-9.88,;8.93,-8.33,;7.61,-7.57,;3.62,-5.23,;2.29,-6,;2.28,-7.54,;.96,-5.22,;-.38,-5.98,;-1.71,-5.2,;-1.7,-3.66,;-3.05,-5.97,;-4.38,-5.19,;-5.72,-5.95,;-5.73,-7.49,;-7.04,-5.17,;-8.38,-5.94,;-7.03,-3.63,;-8.36,-2.86,;-8.36,-1.31,;-9.69,-.53,;-11.03,-1.3,;-11.03,-2.85,;-9.7,-3.61,;10.29,-6.04,;10.28,-7.58,;11.63,-5.28,;12.96,-6.06,;14.29,-5.29,;14.3,-3.75,;15.62,-6.07,;16.96,-5.31,;16.97,-3.77,;18.29,-6.09,;18.28,-7.63,;19.63,-5.32,;20.96,-6.1,;20.95,-7.64,;19.61,-8.4,;19.6,-9.94,;18.26,-10.71,;18.26,-12.25,;16.92,-13.01,;19.59,-13.02,;22.3,-5.34,;22.31,-3.8,;23.63,-6.12,;24.96,-5.35,;24.97,-3.81,;26.31,-3.05,;26.32,-1.51,;27.66,-.75,;27.67,.79,;26.29,-6.13,;26.28,-7.67,;27.63,-5.37,;28.96,-6.15,;28.95,-7.69,;27.61,-8.45,;30.3,-5.38,;30.31,-3.84,;31.63,-6.16,;32.97,-5.4,;32.98,-3.86,;34.29,-6.18,;34.28,-7.72,;35.63,-5.41,;36.96,-6.19,;36.95,-7.73,;35.61,-8.49,;35.61,-10.03,;34.27,-10.8,;34.26,-12.34,;32.93,-13.1,;35.59,-13.11,;38.3,-5.43,;38.31,-3.89,;39.63,-6.21,;40.97,-5.44,;40.98,-3.9,;42.32,-3.14,;42.33,-1.6,;43.67,-.84,;43.68,.7,;42.3,-6.22,;42.29,-7.76,;43.64,-5.46,;44.96,-6.24,;44.95,-7.78,;46.28,-8.55,;47.68,-7.93,;48.7,-9.08,;47.93,-10.4,;48.39,-11.85,;47.36,-12.97,;45.87,-12.64,;45.41,-11.19,;46.44,-10.07,;46.3,-5.47,;46.31,-3.93,;47.63,-6.25,;48.97,-5.49,;48.98,-3.95,;50.31,-3.19,;50.32,-1.66,;51.65,-.9,;51.66,.63,;52.99,1.39,;50.34,1.41,;50.3,-6.27,;50.29,-7.81,;51.64,-5.51,;52.97,-6.28,;52.96,-7.82,;54.29,-8.61,;55.62,-7.84,;54.28,-10.15,;54.31,-5.53,;54.32,-3.99,;55.63,-6.3,;56.97,-5.54,;56.98,-4,;58.32,-3.23,;58.33,-1.69,;57,-.92,;59.67,-.94,;58.3,-6.31,;59.64,-5.56,;58.29,-7.85,)| Show InChI InChI=1S/C87H135N31O22/c1-46(106-68(124)44-105-83(138)70(48(3)120)118-81(136)61(38-50-21-8-5-9-22-50)108-69(125)43-103-67(123)42-104-73(128)53(90)37-49-19-6-4-7-20-49)71(126)109-57(27-16-34-99-85(93)94)74(129)112-56(26-13-15-33-89)78(133)117-64(45-119)82(137)107-47(2)72(127)110-58(28-17-35-100-86(95)96)75(130)111-55(25-12-14-32-88)76(131)115-62(39-51-41-102-54-24-11-10-23-52(51)54)79(134)113-59(29-18-36-101-87(97)98)77(132)116-63(40-66(92)122)80(135)114-60(84(139)140)30-31-65(91)121/h4-11,19-24,41,46-48,53,55-64,70,102,119-120H,12-18,25-40,42-45,88-90H2,1-3H3,(H2,91,121)(H2,92,122)(H,103,123)(H,104,128)(H,105,138)(H,106,124)(H,107,137)(H,108,125)(H,109,126)(H,110,127)(H,111,130)(H,112,129)(H,113,134)(H,114,135)(H,115,131)(H,116,132)(H,117,133)(H,118,136)(H,139,140)(H4,93,94,99)(H4,95,96,100)(H4,97,98,101)/t46-,47-,48+,53-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,70-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyushu University
Curated by ChEMBL
| Assay Description
Displacement of [3H]nociceptin from rat ORL1 receptor expressed in african green monkey COS7 cells by competitive binding assay |
Bioorg Med Chem 17: 5683-7 (2009)
Article DOI: 10.1016/j.bmc.2009.06.015
BindingDB Entry DOI: 10.7270/Q2GB2435 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50296842
(CHEMBL559130 | FGGFTGARKSARKWKNQ)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r,wU:1.1,73.75,89.90,42.44,26.27,112.115,129.132,58.59,3.3,wD:78.79,7.15,47.48,98.99,121.124,67.68,(8.85,-33.5,;10.18,-34.27,;11.52,-33.52,;10.17,-35.81,;8.84,-36.58,;7.5,-35.8,;7.51,-34.26,;6.17,-36.57,;6.16,-38.11,;7.49,-38.88,;7.47,-40.42,;8.8,-41.2,;10.14,-40.43,;10.14,-38.88,;8.83,-38.12,;4.84,-35.78,;3.5,-36.55,;3.5,-38.09,;2.17,-35.77,;.83,-36.54,;-.5,-35.75,;-.49,-34.21,;-1.84,-36.52,;-3.17,-35.74,;-4.51,-36.51,;-4.51,-38.05,;-5.83,-35.72,;-7.17,-36.49,;-5.82,-34.18,;-7.15,-33.41,;-7.14,-31.87,;-8.47,-31.09,;-9.81,-31.85,;-9.82,-33.4,;-8.48,-34.17,;11.5,-36.6,;11.5,-38.14,;12.84,-35.83,;14.17,-36.61,;15.51,-35.85,;15.51,-34.31,;16.84,-36.63,;18.18,-35.86,;18.18,-34.32,;19.51,-36.64,;19.5,-38.18,;20.84,-35.88,;22.18,-36.66,;22.17,-38.2,;20.83,-38.96,;20.82,-40.5,;19.48,-41.26,;19.47,-42.8,;18.13,-43.56,;20.8,-43.58,;23.51,-35.89,;23.52,-34.35,;24.84,-36.67,;26.18,-35.91,;26.19,-34.37,;27.52,-33.61,;27.53,-32.07,;28.87,-31.3,;28.88,-29.76,;27.51,-36.69,;27.5,-38.23,;28.85,-35.92,;30.18,-36.7,;30.17,-38.24,;28.83,-39,;31.52,-35.94,;31.52,-34.4,;32.85,-36.72,;34.18,-35.95,;34.19,-34.41,;35.51,-36.73,;35.5,-38.27,;36.85,-35.97,;38.18,-36.75,;38.17,-38.29,;36.83,-39.05,;36.82,-40.59,;35.48,-41.35,;35.47,-42.89,;34.14,-43.65,;36.8,-43.67,;39.52,-35.98,;39.52,-34.44,;40.85,-36.76,;42.19,-36,;42.19,-34.46,;43.53,-33.7,;43.54,-32.16,;44.88,-31.39,;44.89,-29.85,;43.52,-36.78,;43.51,-38.32,;44.86,-36.01,;46.18,-36.79,;46.17,-38.33,;47.5,-39.11,;48.91,-38.48,;49.93,-39.63,;49.16,-40.96,;49.63,-42.41,;48.61,-43.54,;47.1,-43.22,;46.63,-41.76,;47.66,-40.63,;47.52,-36.03,;47.53,-34.49,;48.85,-36.81,;50.19,-36.04,;50.2,-34.5,;51.53,-33.74,;51.54,-32.21,;52.87,-31.45,;52.88,-29.92,;51.52,-36.82,;51.51,-38.36,;52.86,-36.06,;54.19,-36.84,;54.18,-38.38,;55.51,-39.16,;56.84,-38.39,;55.5,-40.7,;55.53,-36.08,;55.53,-34.54,;56.85,-36.85,;58.19,-36.1,;58.2,-34.56,;59.54,-33.79,;59.54,-32.25,;58.21,-31.47,;60.88,-31.49,;59.52,-36.87,;60.86,-36.11,;59.51,-38.41,)| Show InChI InChI=1S/C87H135N29O22/c1-47(104-69(122)45-103-84(136)71(49(3)118)116-82(134)62(39-51-22-8-5-9-23-51)106-70(123)44-101-68(121)43-102-74(126)54(91)38-50-20-6-4-7-21-50)72(124)107-59(29-18-36-98-86(94)95)75(127)110-58(28-14-17-35-90)79(131)115-65(46-117)83(135)105-48(2)73(125)108-60(30-19-37-99-87(96)97)76(128)109-56(26-12-15-33-88)77(129)113-63(40-52-42-100-55-25-11-10-24-53(52)55)80(132)111-57(27-13-16-34-89)78(130)114-64(41-67(93)120)81(133)112-61(85(137)138)31-32-66(92)119/h4-11,20-25,42,47-49,54,56-65,71,100,117-118H,12-19,26-41,43-46,88-91H2,1-3H3,(H2,92,119)(H2,93,120)(H,101,121)(H,102,126)(H,103,136)(H,104,122)(H,105,135)(H,106,123)(H,107,124)(H,108,125)(H,109,128)(H,110,127)(H,111,132)(H,112,133)(H,113,129)(H,114,130)(H,115,131)(H,116,134)(H,137,138)(H4,94,95,98)(H4,96,97,99)/t47-,48-,49+,54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,71-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyushu University
Curated by ChEMBL
| Assay Description
Displacement of [3H]nociceptin from rat ORL1 receptor expressed in african green monkey COS7 cells by competitive binding assay |
Bioorg Med Chem 17: 5683-7 (2009)
Article DOI: 10.1016/j.bmc.2009.06.015
BindingDB Entry DOI: 10.7270/Q2GB2435 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50274453
(CHEMBL507847 | FGGFTGARKSARKRRNQ)Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C82H137N33O22/c1-43(103-62(121)41-102-77(135)64(45(3)117)115-75(133)56(37-47-20-8-5-9-21-47)105-63(122)40-100-61(120)39-101-67(125)48(85)36-46-18-6-4-7-19-46)65(123)106-51(24-14-32-96-79(88)89)69(127)109-50(23-11-13-31-84)73(131)114-58(42-116)76(134)104-44(2)66(124)107-52(25-15-33-97-80(90)91)70(128)108-49(22-10-12-30-83)68(126)110-53(26-16-34-98-81(92)93)71(129)111-54(27-17-35-99-82(94)95)72(130)113-57(38-60(87)119)74(132)112-55(78(136)137)28-29-59(86)118/h4-9,18-21,43-45,48-58,64,116-117H,10-17,22-42,83-85H2,1-3H3,(H2,86,118)(H2,87,119)(H,100,120)(H,101,125)(H,102,135)(H,103,121)(H,104,134)(H,105,122)(H,106,123)(H,107,124)(H,108,128)(H,109,127)(H,110,126)(H,111,129)(H,112,132)(H,113,130)(H,114,131)(H,115,133)(H,136,137)(H4,88,89,96)(H4,90,91,97)(H4,92,93,98)(H4,94,95,99)/t43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]nociceptin from rat ORL1 receptor expressed in african green monkey COS7 cells |
Bioorg Med Chem 16: 9261-7 (2008)
Article DOI: 10.1016/j.bmc.2008.09.014
BindingDB Entry DOI: 10.7270/Q2MC90XH |
More data for this
Ligand-Target Pair | |
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