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Compile Data Set for Download or QSAR

Found 283 hits of ec50 data for polymerid = 2210,50000717,50003607   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Nociceptin receptor


(Homo sapiens (human))
BDBM50121247
PNG
(CHEMBL414542 | F-G-G-F-T-G-Aib-R-K-S-A-R-K-L-A-N-Q...)
Show SMILES CC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(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](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C80H132N28O21/c1-7-49(98-63(115)40-95-78(129)64(45(6)110)108-76(127)56(36-47-22-12-9-13-23-47)99-62(114)39-93-61(113)38-94-68(119)48(83)35-46-20-10-8-11-21-46)69(120)102-54(27-19-33-92-80(89)90)71(122)104-52(25-15-17-31-82)73(124)107-58(41-109)77(128)97-43(4)66(117)101-53(26-18-32-91-79(87)88)70(121)103-51(24-14-16-30-81)72(123)106-55(34-42(2)3)74(125)96-44(5)67(118)105-57(37-60(85)112)75(126)100-50(65(86)116)28-29-59(84)111/h8-13,20-23,42-45,48-58,64,109-110H,7,14-19,24-41,81-83H2,1-6H3,(H2,84,111)(H2,85,112)(H2,86,116)(H,93,113)(H,94,119)(H,95,129)(H,96,125)(H,97,128)(H,98,115)(H,99,114)(H,100,126)(H,101,117)(H,102,120)(H,103,121)(H,104,122)(H,105,118)(H,106,123)(H,107,124)(H,108,127)(H4,87,88,91)(H4,89,90,92)/t43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
PDB

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n/an/an/an/a 0.0600n/an/an/an/a



Purdue Pharma L. P.

Curated by ChEMBL


Assay Description
Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cells


J Med Chem 45: 5280-6 (2002)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM21842
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=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

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n/an/an/an/a 0.0800n/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for increase in [35S]GTP-gamma-S, binding for human ORL1 receptor carried out in CHO cell membranes ; Nd: no data


Bioorg Med Chem Lett 12: 3157-60 (2002)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50121245
PNG
(CHEMBL266191 | F-G-G-F-T-G-Aib-R-K-S-Aib-R-K-L-A-N...)
Show SMILES CC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C81H134N28O21/c1-7-49(98-64(116)41-96-79(130)65(45(6)111)109-77(128)57(37-47-23-13-10-14-24-47)99-63(115)40-94-62(114)39-95-68(119)48(84)36-46-21-11-9-12-22-46)69(120)102-54(27-19-33-92-80(88)89)71(122)105-53(26-16-18-32-83)74(125)108-59(42-110)78(129)100-50(8-2)70(121)103-55(28-20-34-93-81(90)91)72(123)104-52(25-15-17-31-82)73(124)107-56(35-43(3)4)75(126)97-44(5)67(118)106-58(38-61(86)113)76(127)101-51(66(87)117)29-30-60(85)112/h9-14,21-24,43-45,48-59,65,110-111H,7-8,15-20,25-42,82-84H2,1-6H3,(H2,85,112)(H2,86,113)(H2,87,117)(H,94,114)(H,95,119)(H,96,130)(H,97,126)(H,98,116)(H,99,115)(H,100,129)(H,101,127)(H,102,120)(H,103,121)(H,104,123)(H,105,122)(H,106,118)(H,107,124)(H,108,125)(H,109,128)(H4,88,89,92)(H4,90,91,93)/t44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
PDB

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n/an/an/an/a 0.0800n/an/an/an/a



Purdue Pharma L. P.

Curated by ChEMBL


Assay Description
Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cells


J Med Chem 45: 5280-6 (2002)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50004178
PNG
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=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

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n/an/an/an/a 0.0900n/an/an/an/a



Purdue Pharma LP

Curated by ChEMBL


Assay Description
Agonist activity as stimulation of [35S]-GTP-gamma binding to human Opioid receptor like 1


Bioorg Med Chem Lett 14: 5045-50 (2004)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50304173
PNG
(3,4-dichloro-N-[(1S,5R,13R,14R,17S)-4-(cyclopropyl...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H28Cl2N2O4/c28-17-5-3-16(11-18(17)29)25(33)30-19-7-8-27(34)21-12-15-4-6-20(32)23-22(15)26(27,24(19)35-23)9-10-31(21)13-14-1-2-14/h3-6,11,14,19,21,24,32,34H,1-2,7-10,12-13H2,(H,30,33)/t19-,21-,24+,26+,27-/m1/s1
PDB

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n/an/an/an/a 0.100n/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at NOP expressed in HEK293 cells assessed as inhibition of [35S]GTPgammaS binding


Bioorg Med Chem 17: 6671-81 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50121253
PNG
(CHEMBL408356 | F-G-G-F-T-G-A-R-K-S-Aib-R-K-L-A-N-Q...)
Show SMILES CC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C80H132N28O21/c1-7-49(69(120)102-54(27-19-33-92-80(89)90)71(122)103-51(24-14-16-30-81)72(123)106-55(34-42(2)3)74(125)97-44(5)67(118)105-57(37-60(85)112)75(126)100-50(65(86)116)28-29-59(84)111)99-77(128)58(41-109)107-73(124)52(25-15-17-31-82)104-70(121)53(26-18-32-91-79(87)88)101-66(117)43(4)96-62(114)40-95-78(129)64(45(6)110)108-76(127)56(36-47-22-12-9-13-23-47)98-63(115)39-93-61(113)38-94-68(119)48(83)35-46-20-10-8-11-21-46/h8-13,20-23,42-45,48-58,64,109-110H,7,14-19,24-41,81-83H2,1-6H3,(H2,84,111)(H2,85,112)(H2,86,116)(H,93,113)(H,94,119)(H,95,129)(H,96,114)(H,97,125)(H,98,115)(H,99,128)(H,100,126)(H,101,117)(H,102,120)(H,103,122)(H,104,121)(H,105,118)(H,106,123)(H,107,124)(H,108,127)(H4,87,88,91)(H4,89,90,92)/t43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
PDB

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n/an/an/an/a 0.140n/an/an/an/a



Purdue Pharma L. P.

Curated by ChEMBL


Assay Description
Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cells


J Med Chem 45: 5280-6 (2002)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50121249
PNG
(CHEMBL415845 | F-G-G-F-T-G-A-R-K-S-A-R-K-L-Aib-N-Q...)
Show SMILES CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C80H132N28O21/c1-7-49(69(120)106-57(37-60(85)112)75(126)100-50(65(86)116)28-29-59(84)111)99-74(125)55(34-42(2)3)105-72(123)51(24-14-16-30-81)103-71(122)54(27-19-33-92-80(89)90)102-67(118)44(5)97-77(128)58(41-109)107-73(124)52(25-15-17-31-82)104-70(121)53(26-18-32-91-79(87)88)101-66(117)43(4)96-62(114)40-95-78(129)64(45(6)110)108-76(127)56(36-47-22-12-9-13-23-47)98-63(115)39-93-61(113)38-94-68(119)48(83)35-46-20-10-8-11-21-46/h8-13,20-23,42-45,48-58,64,109-110H,7,14-19,24-41,81-83H2,1-6H3,(H2,84,111)(H2,85,112)(H2,86,116)(H,93,113)(H,94,119)(H,95,129)(H,96,114)(H,97,128)(H,98,115)(H,99,125)(H,100,126)(H,101,117)(H,102,118)(H,103,122)(H,104,121)(H,105,123)(H,106,120)(H,107,124)(H,108,127)(H4,87,88,91)(H4,89,90,92)/t43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
PDB

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n/an/an/an/a 0.200n/an/an/an/a



Purdue Pharma L. P.

Curated by ChEMBL


Assay Description
Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cells


J Med Chem 45: 5280-6 (2002)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50004178
PNG
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=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

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n/an/an/an/a 0.230n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human nociceptin receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production preincubated f...


J Med Chem 59: 3777-92 (2016)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50121244
PNG
(CHEMBL264084 | F-G-G-F-T-G-Aib-R-K-S-A-R-K-L-A-N-Q...)
Show SMILES CC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(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](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C80H131N27O22/c1-7-49(97-63(114)40-94-77(127)64(45(6)109)107-75(125)56(36-47-22-12-9-13-23-47)98-62(113)39-92-61(112)38-93-67(117)48(83)35-46-20-10-8-11-21-46)68(118)100-53(27-19-33-91-80(88)89)70(120)102-51(25-15-17-31-82)72(122)106-58(41-108)76(126)96-43(4)65(115)99-52(26-18-32-90-79(86)87)69(119)101-50(24-14-16-30-81)71(121)105-55(34-42(2)3)73(123)95-44(5)66(116)104-57(37-60(85)111)74(124)103-54(78(128)129)28-29-59(84)110/h8-13,20-23,42-45,48-58,64,108-109H,7,14-19,24-41,81-83H2,1-6H3,(H2,84,110)(H2,85,111)(H,92,112)(H,93,117)(H,94,127)(H,95,123)(H,96,126)(H,97,114)(H,98,113)(H,99,115)(H,100,118)(H,101,119)(H,102,120)(H,103,124)(H,104,116)(H,105,121)(H,106,122)(H,107,125)(H,128,129)(H4,86,87,90)(H4,88,89,91)/t43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
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n/an/an/an/a 0.270n/an/an/an/a



Purdue Pharma L. P.

Curated by ChEMBL


Assay Description
Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cells


J Med Chem 45: 5280-6 (2002)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50413782
PNG
(CHEMBL1627325)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C97H163N31O28S/c1-50(2)73(126-93(154)76(97(6,7)8)128-88(149)66(44-70(103)135)122-81(142)61(32-23-40-109-96(106)107)118-86(147)64(120-78(139)56(101)47-129)42-54-24-12-10-13-25-54)90(151)110-46-72(137)125-74(52(4)132)91(152)111-45-71(136)113-63(35-41-157-9)84(145)115-58(29-17-20-37-99)80(141)116-59(30-18-21-38-100)85(146)127-75(53(5)133)92(153)123-67(48-130)89(150)121-65(43-55-26-14-11-15-27-55)87(148)119-62(33-34-69(102)134)83(144)117-60(31-22-39-108-95(104)105)79(140)112-51(3)77(138)114-57(28-16-19-36-98)82(143)124-68(49-131)94(155)156/h10-15,24-27,50-53,56-68,73-76,129-133H,16-23,28-49,98-101H2,1-9H3,(H2,102,134)(H2,103,135)(H,110,151)(H,111,152)(H,112,140)(H,113,136)(H,114,138)(H,115,145)(H,116,141)(H,117,144)(H,118,147)(H,119,148)(H,120,139)(H,121,150)(H,122,142)(H,123,153)(H,124,143)(H,125,137)(H,126,154)(H,127,146)(H,128,149)(H,155,156)(H4,104,105,108)(H4,106,107,109)/t51-,52+,53+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-,74-,75-,76-/m0/s1
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n/an/an/an/a 0.282n/an/an/an/a



National Institute of Neuroscienc

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NOP receptor expressed in CHO cells coexpressing alphaqi5 assessed as inhibition of N/OFQ-induced intracellu...


J Med Chem 52: 4068-71 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM29986
PNG
(arylpyrazole, 31)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(c1-c1cnc(C)c(F)c1)-c1ncccc1Cl
Show InChI InChI=1S/C21H22ClF2N5/c1-12-19(11-27-16-6-5-15(23)9-16)28-29(21-17(22)4-3-7-25-21)20(12)14-8-18(24)13(2)26-10-14/h3-4,7-8,10,15-16,27H,5-6,9,11H2,1-2H3/t15-,16+/m1/s1
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n/an/a 0.520n/a 0.310n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3627-31 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50004178
PNG
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=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
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n/an/an/an/a 0.389n/an/an/an/a



National Institute of Neuroscienc

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NOP receptor expressed in CHO cells coexpressing alphaqi5 assessed as inhibition of N/OFQ-induced intracellu...


J Med Chem 52: 4068-71 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50255850
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3R)-3...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@@H]1CCCNC1
Show InChI InChI=1S/C26H40N4/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3/t21-/m1/s1
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n/an/an/an/a 0.390n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM21842
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=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
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n/an/an/an/a 0.450n/an/an/an/a



Purdue Pharma L. P.

Curated by ChEMBL


Assay Description
Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cells


J Med Chem 45: 5280-6 (2002)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50121256
PNG
(CHEMBL410979 | F-G-G-F-T-G-A-R-K-S-A-R-K-L-Aib-N-Q...)
Show SMILES CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C80H131N27O22/c1-7-49(68(118)105-57(37-60(85)111)74(124)103-54(78(128)129)28-29-59(84)110)98-73(123)55(34-42(2)3)104-71(121)50(24-14-16-30-81)101-70(120)53(27-19-33-91-80(88)89)100-66(116)44(5)96-76(126)58(41-108)106-72(122)51(25-15-17-31-82)102-69(119)52(26-18-32-90-79(86)87)99-65(115)43(4)95-62(113)40-94-77(127)64(45(6)109)107-75(125)56(36-47-22-12-9-13-23-47)97-63(114)39-92-61(112)38-93-67(117)48(83)35-46-20-10-8-11-21-46/h8-13,20-23,42-45,48-58,64,108-109H,7,14-19,24-41,81-83H2,1-6H3,(H2,84,110)(H2,85,111)(H,92,112)(H,93,117)(H,94,127)(H,95,113)(H,96,126)(H,97,114)(H,98,123)(H,99,115)(H,100,116)(H,101,120)(H,102,119)(H,103,124)(H,104,121)(H,105,118)(H,106,122)(H,107,125)(H,128,129)(H4,86,87,90)(H4,88,89,91)/t43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
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n/an/an/an/a 0.470n/an/an/an/a



Purdue Pharma L. P.

Curated by ChEMBL


Assay Description
Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cells


J Med Chem 45: 5280-6 (2002)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50255899
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3S)-3...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@H]1CCCNC1
Show InChI InChI=1S/C26H40N4/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3/t21-/m0/s1
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n/an/an/an/a 0.5n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM30011
PNG
(benzimidazole analogue, 7j)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)N3CCCC3=O)nc2cc1Cl
Show InChI InChI=1S/C24H34ClN5OS/c1-3-28-11-13-29(14-12-28)21-16-20-19(15-18(21)25)26-23(27-20)32-24(2)8-6-17(7-9-24)30-10-4-5-22(30)31/h15-17H,3-14H2,1-2H3,(H,26,27)/t17-,24-
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n/an/a 1.40n/a 0.550n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM30017
PNG
(benzimidazole analogue, 7p)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nnco3)nc2cc1Cl
Show InChI InChI=1S/C22H29ClN6OS/c1-3-28-8-10-29(11-9-28)19-13-18-17(12-16(19)23)25-21(26-18)31-22(2)6-4-15(5-7-22)20-27-24-14-30-20/h12-15H,3-11H2,1-2H3,(H,25,26)/t15-,22-
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n/an/a 1.10n/a 0.590n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM29995
PNG
(CHEMBL494350 | benzimidazole-based antagonist, 1)
Show SMILES C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl
Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/s1
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n/an/a 2.60n/a 0.650n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50262295
PNG
(4-[(4R,7S,10S,13R)-10-(3-{[amino(iminiumyl)methyl]...)
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]1CSSC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCC[NH+]=C(N)N)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H98N22O14S2/c1-34(51(89)79-41(21-13-25-70-60(66)67)53(91)78-39(50(65)88)19-9-11-23-62)75-57(95)45-33-99-98-32-44(58(96)81-42(22-14-26-71-61(68)69)54(92)80-40(55(93)82-45)20-10-12-24-63)77-48(87)31-74-59(97)49(35(2)84)83-56(94)43(28-37-17-7-4-8-18-37)76-47(86)30-72-46(85)29-73-52(90)38(64)27-36-15-5-3-6-16-36/h3-8,15-18,34-35,38-45,49,84H,9-14,19-33,62-64H2,1-2H3,(H2,65,88)(H,72,85)(H,73,90)(H,74,97)(H,75,95)(H,76,86)(H,77,87)(H,78,91)(H,79,89)(H,80,92)(H,81,96)(H,82,93)(H,83,94)(H4,66,67,70)(H4,68,69,71)/p+2/t34-,35+,38-,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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n/an/an/an/a 0.690n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor by [35S]GTPgammaS binding assay


J Med Chem 51: 4385-7 (2008)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM29987
PNG
(benzimidazole analogue, 7e | benzimidazole derivat...)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NC(=O)OC)nc2cc1Cl
Show InChI InChI=1S/C22H32ClN5O2S/c1-4-27-9-11-28(12-10-27)19-14-18-17(13-16(19)23)25-20(26-18)31-22(2)7-5-15(6-8-22)24-21(29)30-3/h13-15H,4-12H2,1-3H3,(H,24,29)(H,25,26)/t15-,22-
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n/an/a 2.40n/a 0.720n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM29987
PNG
(benzimidazole analogue, 7e | benzimidazole derivat...)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NC(=O)OC)nc2cc1Cl
Show InChI InChI=1S/C22H32ClN5O2S/c1-4-27-9-11-28(12-10-27)19-14-18-17(13-16(19)23)25-20(26-18)31-22(2)7-5-15(6-8-22)24-21(29)30-3/h13-15H,4-12H2,1-3H3,(H,24,29)(H,25,26)/t15-,22-
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n/an/a 2.40n/a 0.720n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3096-9 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50121246
PNG
(CHEMBL438537 | F-G-G-F-T-G-A-R-K-S-A-R-K-L-MeA-N-Q...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C80H132N28O21/c1-42(2)34-57(78(129)108(7)45(5)68(119)104-56(37-60(85)112)74(125)99-50(65(86)116)28-29-59(84)111)105-72(123)51(24-14-16-30-81)102-71(122)54(27-19-33-92-80(89)90)101-67(118)44(4)97-76(127)58(41-109)106-73(124)52(25-15-17-31-82)103-70(121)53(26-18-32-91-79(87)88)100-66(117)43(3)96-62(114)40-95-77(128)64(46(6)110)107-75(126)55(36-48-22-12-9-13-23-48)98-63(115)39-93-61(113)38-94-69(120)49(83)35-47-20-10-8-11-21-47/h8-13,20-23,42-46,49-58,64,109-110H,14-19,24-41,81-83H2,1-7H3,(H2,84,111)(H2,85,112)(H2,86,116)(H,93,113)(H,94,120)(H,95,128)(H,96,114)(H,97,127)(H,98,115)(H,99,125)(H,100,117)(H,101,118)(H,102,122)(H,103,121)(H,104,119)(H,105,123)(H,106,124)(H,107,126)(H4,87,88,91)(H4,89,90,92)/t43-,44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
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n/an/an/an/a 0.730n/an/an/an/a



Purdue Pharma L. P.

Curated by ChEMBL


Assay Description
Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cells


J Med Chem 45: 5280-6 (2002)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50106479
PNG
(CHEMBL384755 | FGGFTGARKSARK | H-FGGFTGARKSARK-NH2...)
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(N)=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
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n/an/an/an/a 0.780n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor by [35S]GTPgammaS binding assay


J Med Chem 51: 4385-7 (2008)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM30014
PNG
(benzimidazole analogue, 7m)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nnn(C)n3)nc2cc1Cl
Show InChI InChI=1S/C22H31ClN8S/c1-4-30-9-11-31(12-10-30)19-14-18-17(13-16(19)23)24-21(25-18)32-22(2)7-5-15(6-8-22)20-26-28-29(3)27-20/h13-15H,4-12H2,1-3H3,(H,24,25)/t15-,22-
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n/an/a 2.20n/a 0.900n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM30016
PNG
(benzimidazole analogue, 7o)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nc(C)no3)nc2cc1Cl
Show InChI InChI=1S/C23H31ClN6OS/c1-4-29-9-11-30(12-10-29)20-14-19-18(13-17(20)24)26-22(27-19)32-23(3)7-5-16(6-8-23)21-25-15(2)28-31-21/h13-14,16H,4-12H2,1-3H3,(H,26,27)/t16-,23-
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n/an/a 1.70n/a 0.910n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM29983
PNG
(arylpyrazole, 28)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(c1-c1ccc(C)nc1)-c1ncccc1Cl
Show InChI InChI=1S/C21H23ClFN5/c1-13-5-6-15(11-25-13)20-14(2)19(12-26-17-8-7-16(23)10-17)27-28(20)21-18(22)4-3-9-24-21/h3-6,9,11,16-17,26H,7-8,10,12H2,1-2H3/t16-,17+/m1/s1
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n/an/a 2.5n/a 1n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3627-31 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50121250
PNG
(CHEMBL415584 | F-G-G-F-T-G-A-R-K-S-Aib-R-K-L-A-N-Q...)
Show SMILES CC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C80H131N27O22/c1-7-49(68(118)100-53(27-19-33-91-80(88)89)70(120)101-50(24-14-16-30-81)71(121)105-55(34-42(2)3)73(123)96-44(5)66(116)104-57(37-60(85)111)74(124)103-54(78(128)129)28-29-59(84)110)98-76(126)58(41-108)106-72(122)51(25-15-17-31-82)102-69(119)52(26-18-32-90-79(86)87)99-65(115)43(4)95-62(113)40-94-77(127)64(45(6)109)107-75(125)56(36-47-22-12-9-13-23-47)97-63(114)39-92-61(112)38-93-67(117)48(83)35-46-20-10-8-11-21-46/h8-13,20-23,42-45,48-58,64,108-109H,7,14-19,24-41,81-83H2,1-6H3,(H2,84,110)(H2,85,111)(H,92,112)(H,93,117)(H,94,127)(H,95,113)(H,96,123)(H,97,114)(H,98,126)(H,99,115)(H,100,118)(H,101,120)(H,102,119)(H,103,124)(H,104,116)(H,105,121)(H,106,122)(H,107,125)(H,128,129)(H4,86,87,90)(H4,88,89,91)/t43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Purdue Pharma L. P.

Curated by ChEMBL


Assay Description
Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cells


J Med Chem 45: 5280-6 (2002)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50333104
PNG
(CHEMBL389521 | H-FGGFTGARKSARKLANQ-NH2 | N/OFQ-NH2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C79H130N28O21/c1-41(2)33-54(73(124)96-44(5)67(118)104-56(36-59(84)111)74(125)99-49(64(85)115)27-28-58(83)110)105-71(122)50(23-13-15-29-80)102-70(121)53(26-18-32-91-79(88)89)101-66(117)43(4)97-76(127)57(40-108)106-72(123)51(24-14-16-30-81)103-69(120)52(25-17-31-90-78(86)87)100-65(116)42(3)95-61(113)39-94-77(128)63(45(6)109)107-75(126)55(35-47-21-11-8-12-22-47)98-62(114)38-92-60(112)37-93-68(119)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,108-109H,13-18,23-40,80-82H2,1-6H3,(H2,83,110)(H2,84,111)(H2,85,115)(H,92,112)(H,93,119)(H,94,128)(H,95,113)(H,96,124)(H,97,127)(H,98,114)(H,99,125)(H,100,116)(H,101,117)(H,102,121)(H,103,120)(H,104,118)(H,105,122)(H,106,123)(H,107,126)(H4,86,87,90)(H4,88,89,91)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant ORL1 receptor expressed in COS7 cells assessed as stimulation of GTPgammaS binding


Bioorg Med Chem 17: 7904-8 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM30012
PNG
(benzimidazole analogue, 7k)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)C(=O)NC)nc2cc1Cl
Show InChI InChI=1S/C22H32ClN5OS/c1-4-27-9-11-28(12-10-27)19-14-18-17(13-16(19)23)25-21(26-18)30-22(2)7-5-15(6-8-22)20(29)24-3/h13-15H,4-12H2,1-3H3,(H,24,29)(H,25,26)/t15-,22-
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n/an/a 1n/a 1.10n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM30008
PNG
(benzimidazole analogue, 7g)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NC(C)=O)nc2cc1Cl
Show InChI InChI=1S/C22H32ClN5OS/c1-4-27-9-11-28(12-10-27)20-14-19-18(13-17(20)23)25-21(26-19)30-22(3)7-5-16(6-8-22)24-15(2)29/h13-14,16H,4-12H2,1-3H3,(H,24,29)(H,25,26)/t16-,22-
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n/an/a 1.90n/a 1.10n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM30004
PNG
(benzimidazole analogue, 7c)
Show SMILES CCOC(=O)N1CCC(C)(CC1)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CC)CC1
Show InChI InChI=1S/C22H32ClN5O2S/c1-4-26-10-12-27(13-11-26)19-15-18-17(14-16(19)23)24-20(25-18)31-22(3)6-8-28(9-7-22)21(29)30-5-2/h14-15H,4-13H2,1-3H3,(H,24,25)
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n/an/a 4.30n/a 1.10n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50106479
PNG
(CHEMBL384755 | FGGFTGARKSARK | H-FGGFTGARKSARK-NH2...)
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(N)=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
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n/an/an/an/a 1.12n/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Efficacy for human ORL1 receptor expressing HEK-293 cells


J Med Chem 44: 4015-8 (2001)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM29985
PNG
(arylpyrazole, 30)
Show SMILES Cc1c(CNC2CCCC2)nn(c1-c1cnc(C)c(F)c1)-c1ncccc1Cl
Show InChI InChI=1S/C21H23ClFN5/c1-13-19(12-26-16-6-3-4-7-16)27-28(21-17(22)8-5-9-24-21)20(13)15-10-18(23)14(2)25-11-15/h5,8-11,16,26H,3-4,6-7,12H2,1-2H3
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n/an/a 1.10n/a 1.20n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3627-31 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50255135
PNG
(1-(3-{1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-1H-...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(CN)c1
Show InChI InChI=1S/C28H38N4/c1-28(16-7-3-2-4-8-17-28)31-18-14-24(15-19-31)32-26-13-6-5-12-25(26)30-27(32)23-11-9-10-22(20-23)21-29/h5-6,9-13,20,24H,2-4,7-8,14-19,21,29H2,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM29988
PNG
(benzimidazole analogue, 7h | benzimidazole derivat...)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)N(C)C(C)=O)nc2cc1Cl
Show InChI InChI=1S/C23H34ClN5OS/c1-5-28-10-12-29(13-11-28)21-15-20-19(14-18(21)24)25-22(26-20)31-23(3)8-6-17(7-9-23)27(4)16(2)30/h14-15,17H,5-13H2,1-4H3,(H,25,26)/t17-,23-
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n/an/a 0.810n/a 1.30n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50101099
PNG
(CHEMBL3326228)
Show SMILES Cl.CN(C)[C@]1(CC[C@@]2(CC1)NCCc1c2[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1/C24H29N3.ClH/c1-27(2)24(18-8-4-3-5-9-18)15-13-23(14-16-24)22-20(12-17-25-23)19-10-6-7-11-21(19)26-22;/h3-11,25-26H,12-17H2,1-2H3;1H/t23-,24-;
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Departments of Medicinal Chemistry, Preclinical Drug Safety, Molecular Pharmacology, Pain Pharmacology, Pharmacokinetics, and Discovery Informatics, Global Drug Discovery, Grünenthal Innovation, Grün

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant NOP receptor expressed in CHO-K1 cells assessed as stimulation of [35S]GTPgammaS binding by scintillation proxi...


ACS Med Chem Lett 5: 857-62 (2014)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM29992
PNG
(2-Cyclohexylcarbonylbenzimidazole, 7c)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)[C@]1(C)CC[C@@](C)(O)CC1
Show InChI InChI=1S/C22H31ClN4O2/c1-4-26-9-11-27(12-10-26)18-14-17-16(13-15(18)23)24-20(25-17)19(28)21(2)5-7-22(3,29)8-6-21/h13-14,29H,4-12H2,1-3H3,(H,24,25)/t21-,22-
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n/an/a 1.40n/a 1.30n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3096-9 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50255898
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3R)-1...)
Show SMILES CN1CCC[C@H](C1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1
Show InChI InChI=1S/C27H42N4/c1-27(16-8-4-3-5-9-17-27)30-19-14-23(15-20-30)31-25-13-7-6-12-24(25)28-26(31)22-11-10-18-29(2)21-22/h6-7,12-13,22-23H,3-5,8-11,14-21H2,1-2H3/t22-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50004178
PNG
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=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
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n/an/an/an/a 1.5n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50004178
PNG
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=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
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n/an/an/an/a 1.5n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by liquid scintillatio...


Bioorg Med Chem 18: 7675-99 (2010)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50255953
PNG
(2-(3-Chloro-4-fluorophenyl)-1-[1-(1-methylcyclooct...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C27H33ClFN3/c1-27(15-7-3-2-4-8-16-27)31-17-13-21(14-18-31)32-25-10-6-5-9-24(25)30-26(32)20-11-12-23(29)22(28)19-20/h5-6,9-12,19,21H,2-4,7-8,13-18H2,1H3
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n/an/an/an/a 1.60n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50255901
PNG
(1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-2-[3-(met...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C28H37N3O2S/c1-28(17-8-4-3-5-9-18-28)30-19-15-23(16-20-30)31-26-14-7-6-13-25(26)29-27(31)22-11-10-12-24(21-22)34(2,32)33/h6-7,10-14,21,23H,3-5,8-9,15-20H2,1-2H3
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n/an/an/an/a 1.60n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50255900
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3S)-1...)
Show SMILES CN1CCC[C@@H](C1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1
Show InChI InChI=1S/C27H42N4/c1-27(16-8-4-3-5-9-17-27)30-19-14-23(15-20-30)31-25-13-7-6-12-24(25)28-26(31)22-11-10-18-29(2)21-22/h6-7,12-13,22-23H,3-5,8-11,14-21H2,1-2H3/t22-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50262291
PNG
(4-[(3S,6S,9S,17S)-6-(3-{[amino(iminiumyl)methyl]am...)
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]1CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCC[NH+]=C(N)N)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C65H105N23O15/c1-37(55(95)84-45(24-15-29-75-64(70)71)58(98)83-42(54(69)94)21-9-12-26-66)80-57(97)43-23-11-14-28-74-49(90)33-48(61(101)87-46(25-16-30-76-65(72)73)60(100)86-44(59(99)85-43)22-10-13-27-67)82-52(93)36-79-63(103)53(38(2)89)88-62(102)47(32-40-19-7-4-8-20-40)81-51(92)35-77-50(91)34-78-56(96)41(68)31-39-17-5-3-6-18-39/h3-8,17-20,37-38,41-48,53,89H,9-16,21-36,66-68H2,1-2H3,(H2,69,94)(H,74,90)(H,77,91)(H,78,96)(H,79,103)(H,80,97)(H,81,92)(H,82,93)(H,83,98)(H,84,95)(H,85,99)(H,86,100)(H,87,101)(H,88,102)(H4,70,71,75)(H4,72,73,76)/p+2/t37-,38+,41-,42-,43-,44-,45-,46-,47-,48-,53-/m0/s1
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University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 51: 4385-7 (2008)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50420801
PNG
(CHEMBL2088035)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)[C@@H]2Cc3cccc4cccc2c34)c1=O
Show InChI InChI=1S/C27H28N4O2/c1-28-25(32)17-30-22-10-2-3-11-23(22)31(27(30)33)20-12-14-29(15-13-20)24-16-19-8-4-6-18-7-5-9-21(24)26(18)19/h2-11,20,24H,12-17H2,1H3,(H,28,32)/t24-/m1/s1
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n/an/an/an/a 1.60n/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Agonist activity at human cloned NOP receptor expressed in CHO cell membranes after 30 mins by [35S]GTPgammaS binding assay


J Med Chem 55: 4955-67 (2012)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM30010
PNG
(benzimidazole analogue, 7i)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NS(C)(=O)=O)nc2cc1Cl
Show InChI InChI=1S/C21H32ClN5O2S2/c1-4-26-9-11-27(12-10-26)19-14-18-17(13-16(19)22)23-20(24-18)30-21(2)7-5-15(6-8-21)25-31(3,28)29/h13-15,25H,4-12H2,1-3H3,(H,23,24)/t15-,21-
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n/an/a 2.10n/a 1.80n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50106477
PNG
(CHEMBL265801 | FGGFTGARKSARKLADE | Phe-GGFTGARKSAR...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C79H128N26O23/c1-41(2)33-54(73(124)94-44(5)67(118)102-56(36-62(113)114)74(125)97-49(64(83)115)27-28-61(111)112)103-71(122)50(23-13-15-29-80)100-70(121)53(26-18-32-89-79(86)87)99-66(117)43(4)95-76(127)57(40-106)104-72(123)51(24-14-16-30-81)101-69(120)52(25-17-31-88-78(84)85)98-65(116)42(3)93-59(109)39-92-77(128)63(45(6)107)105-75(126)55(35-47-21-11-8-12-22-47)96-60(110)38-90-58(108)37-91-68(119)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,106-107H,13-18,23-40,80-82H2,1-6H3,(H2,83,115)(H,90,108)(H,91,119)(H,92,128)(H,93,109)(H,94,124)(H,95,127)(H,96,110)(H,97,125)(H,98,116)(H,99,117)(H,100,121)(H,101,120)(H,102,118)(H,103,122)(H,104,123)(H,105,126)(H,111,112)(H,113,114)(H4,84,85,88)(H4,86,87,89)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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n/an/an/an/a 1.93n/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding of compound to cell membranes expressing human ORL1 receptor in HEk-293 cells using [32S]-GTP-gammaS


J Med Chem 44: 4015-8 (2001)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50106480
PNG
(CHEMBL437915 | FGGFTGARKSARKL)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C67H111N23O16/c1-37(2)30-48(55(71)96)88-61(102)44(22-12-14-26-68)86-60(101)47(25-17-29-77-67(74)75)85-57(98)39(4)82-64(105)50(36-91)89-62(103)45(23-13-15-27-69)87-59(100)46(24-16-28-76-66(72)73)84-56(97)38(3)81-52(94)35-80-65(106)54(40(5)92)90-63(104)49(32-42-20-10-7-11-21-42)83-53(95)34-78-51(93)33-79-58(99)43(70)31-41-18-8-6-9-19-41/h6-11,18-21,37-40,43-50,54,91-92H,12-17,22-36,68-70H2,1-5H3,(H2,71,96)(H,78,93)(H,79,99)(H,80,106)(H,81,94)(H,82,105)(H,83,95)(H,84,97)(H,85,98)(H,86,101)(H,87,100)(H,88,102)(H,89,103)(H,90,104)(H4,72,73,76)(H4,74,75,77)/t38-,39-,40+,43-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1
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PubMed
n/an/an/an/a 1.97n/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Efficacy for human ORL1 receptor expressing HEK-293 cells


J Med Chem 44: 4015-8 (2001)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM30005
PNG
(benzimidazole analogue, 7d)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@]3(C)CC[C@@H](CC3)NC(=O)OC)nc2cc1Cl
Show InChI InChI=1S/C22H32ClN5O2S/c1-4-27-9-11-28(12-10-27)19-14-18-17(13-16(19)23)25-20(26-18)31-22(2)7-5-15(6-8-22)24-21(29)30-3/h13-15H,4-12H2,1-3H3,(H,24,29)(H,25,26)/t15-,22+
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Article
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n/an/a 9.5n/a 2.10n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)

More data for this
Ligand-Target Pair
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