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Compile Data Set for Download or QSAR

Found 3554 hits Enz. Inhib. hit(s) with Target = 'Nociceptin/Orphanin FQ, NOP receptor'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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 0.0251n/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay Description
Agonist activity at human NOPR expressed in human BHK cells assessed as inhibition of forskolin-mediated cAMP accumulation after 10 mins by radioimmu...


J Med Chem 61: 9841-9878 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00435
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(MOUSE)
BDBM50333098
PNG
(CHEMBL1631926)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O)C(N)=O
Show InChI InChI=1S/C90H145FN32O24/c1-48(125)73(123-86(145)62(40-50-26-28-51(91)29-27-50)111-71(131)45-107-70(130)44-108-75(134)52(95)39-49-17-3-2-4-18-49)88(147)109-46-72(132)110-53-22-8-13-36-104-69(129)43-64(121-87(146)65(47-124)122-82(141)56(21-7-12-34-94)114-79(138)58(116-76(53)135)24-15-37-105-89(99)100)85(144)117-59(25-16-38-106-90(101)102)80(139)112-54(19-5-10-32-92)77(136)115-57-23-9-14-35-103-68(128)42-61(74(98)133)119-83(142)60(30-31-66(96)126)118-84(143)63(41-67(97)127)120-81(140)55(113-78(57)137)20-6-11-33-93/h2-4,17-18,26-29,48,52-65,73,124-125H,5-16,19-25,30-47,92-95H2,1H3,(H2,96,126)(H2,97,127)(H2,98,133)(H,103,128)(H,104,129)(H,107,130)(H,108,134)(H,109,147)(H,110,132)(H,111,131)(H,112,139)(H,113,137)(H,114,138)(H,115,136)(H,116,135)(H,117,144)(H,118,143)(H,119,142)(H,120,140)(H,121,146)(H,122,141)(H,123,145)(H4,99,100,105)(H4,101,102,106)/t48-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,73+/m1/s1
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n/an/an/an/a 0.0400n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at NOR in mouse Neuro-2a cells assessed as stimulation of ERK phopshorylation after 30 mins post dose by Alphascreen Surefire assay


J Med Chem 53: 8400-8408 (2010)


Article DOI: 10.1021/jm101139f
BindingDB Entry DOI: 10.7270/Q24Q7V77
More data for this
Ligand-Target Pair
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
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n/an/an/an/a 0.0600n/an/an/an/a



Purdue Pharma LP

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)


Article DOI: 10.1021/jm0202021
BindingDB Entry DOI: 10.7270/Q2474BKJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50475333
PNG
(CHEMBL264846)
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](Cc1ccc(F)cc1)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/C79H129FN28O21/c1-40(2)32-54(73(125)97-43(5)67(119)105-56(35-59(85)112)74(126)100-49(64(86)116)26-27-58(84)111)106-71(123)50(18-10-12-28-81)103-70(122)53(21-15-31-92-79(89)90)102-66(118)42(4)98-76(128)57(39-109)107-72(124)51(19-11-13-29-82)104-69(121)52(20-14-30-91-78(87)88)101-65(117)41(3)96-61(114)38-95-77(129)63(44(6)110)108-75(127)55(34-46-22-24-47(80)25-23-46)99-62(115)37-93-60(113)36-94-68(120)48(83)33-45-16-8-7-9-17-45/h7-9,16-17,22-25,40-44,48-57,63,109-110H,10-15,18-21,26-39,81-83H2,1-6H3,(H2,84,111)(H2,85,112)(H2,86,116)(H,93,113)(H,94,120)(H,95,129)(H,96,114)(H,97,125)(H,98,128)(H,99,115)(H,100,126)(H,101,117)(H,102,118)(H,103,122)(H,104,121)(H,105,119)(H,106,123)(H,107,124)(H,108,127)(H4,87,88,91)(H4,89,90,92)/t41-,42-,43-,44+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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n/an/an/an/a 0.0661n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP levels in CHO cell membranes expressing the human NOP receptor (CHOhNOP)


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50475328
PNG
(CHEMBL414782)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN
Show InChI InChI=1S/C82H140FN35O21/c1-43(104-62(123)41-103-79(139)65(45(3)120)116-76(136)57(37-47-24-26-48(83)27-25-47)106-63(124)40-101-61(122)39-102-68(128)49(87)36-46-16-5-4-6-17-46)66(126)107-53(21-13-33-98-80(89)90)70(130)111-52(20-9-12-32-86)74(134)115-59(42-119)77(137)105-44(2)67(127)108-54(22-14-34-99-81(91)92)71(131)109-50(18-7-10-30-84)69(129)112-55(23-15-35-100-82(93)94)72(132)110-51(19-8-11-31-85)73(133)114-58(38-60(88)121)75(135)113-56(78(138)117-95)28-29-64(125)118(96)97/h4-6,16-17,24-27,43-45,49-59,65,119-120H,7-15,18-23,28-42,84-87,95-97H2,1-3H3,(H2,88,121)(H,101,122)(H,102,128)(H,103,139)(H,104,123)(H,105,137)(H,106,124)(H,107,126)(H,108,127)(H,109,131)(H,110,132)(H,111,130)(H,112,129)(H,113,135)(H,114,133)(H,115,134)(H,116,136)(H,117,138)(H4,89,90,98)(H4,91,92,99)(H4,93,94,100)/t43-,44-,45+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
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n/an/an/an/a 0.0676n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP levels in CHO cell membranes expressing the human NOP receptor (CHOhNOP)


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50475328
PNG
(CHEMBL414782)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN
Show InChI InChI=1S/C82H140FN35O21/c1-43(104-62(123)41-103-79(139)65(45(3)120)116-76(136)57(37-47-24-26-48(83)27-25-47)106-63(124)40-101-61(122)39-102-68(128)49(87)36-46-16-5-4-6-17-46)66(126)107-53(21-13-33-98-80(89)90)70(130)111-52(20-9-12-32-86)74(134)115-59(42-119)77(137)105-44(2)67(127)108-54(22-14-34-99-81(91)92)71(131)109-50(18-7-10-30-84)69(129)112-55(23-15-35-100-82(93)94)72(132)110-51(19-8-11-31-85)73(133)114-58(38-60(88)121)75(135)113-56(78(138)117-95)28-29-64(125)118(96)97/h4-6,16-17,24-27,43-45,49-59,65,119-120H,7-15,18-23,28-42,84-87,95-97H2,1-3H3,(H2,88,121)(H,101,122)(H,102,128)(H,103,139)(H,104,123)(H,105,137)(H,106,124)(H,107,126)(H,108,127)(H,109,131)(H,110,132)(H,111,130)(H,112,129)(H,113,135)(H,114,133)(H,115,134)(H,116,136)(H,117,138)(H4,89,90,98)(H4,91,92,99)(H4,93,94,100)/t43-,44-,45+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
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n/an/an/an/a 0.0759n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist potency against GTPgammaS binding in CHO cell membranes expressing the human NOP receptor (CHOhNOP)


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
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
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n/an/an/an/a 0.0800n/an/an/an/a



Purdue Pharma LP

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)


Article DOI: 10.1021/jm0202021
BindingDB Entry DOI: 10.7270/Q2474BKJ
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 0.0800n/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)


Article DOI: 10.1016/s0960-894x(02)00652-2
BindingDB Entry DOI: 10.7270/Q2KK9C9R
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 0.0900n/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)


Article DOI: 10.1016/j.bmcl.2004.08.001
BindingDB Entry DOI: 10.7270/Q2TM7BV8
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50475327
PNG
(CHEMBL410653)
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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN
Show InChI InChI=1S/C82H141N35O21/c1-44(103-62(122)42-102-79(138)65(46(3)119)115-76(135)57(38-48-21-8-5-9-22-48)105-63(123)41-100-61(121)40-101-68(127)49(86)37-47-19-6-4-7-20-47)66(125)106-53(26-16-34-97-80(88)89)70(129)110-52(25-12-15-33-85)74(133)114-59(43-118)77(136)104-45(2)67(126)107-54(27-17-35-98-81(90)91)71(130)108-50(23-10-13-31-83)69(128)111-55(28-18-36-99-82(92)93)72(131)109-51(24-11-14-32-84)73(132)113-58(39-60(87)120)75(134)112-56(78(137)116-94)29-30-64(124)117(95)96/h4-9,19-22,44-46,49-59,65,118-119H,10-18,23-43,83-86,94-96H2,1-3H3,(H2,87,120)(H,100,121)(H,101,127)(H,102,138)(H,103,122)(H,104,136)(H,105,123)(H,106,125)(H,107,126)(H,108,130)(H,109,131)(H,110,129)(H,111,128)(H,112,134)(H,113,132)(H,114,133)(H,115,135)(H,116,137)(H4,88,89,97)(H4,90,91,98)(H4,92,93,99)/t44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
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University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP levels in CHO cell membranes expressing the human NOP receptor (CHOhNOP)


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
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
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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)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
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 0.115n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP levels in CHO cell membranes expressing the human NOP receptor (CHOhNOP)


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50473478
PNG
(CHEMBL409204)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)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/C61H99N23O17/c1-33(75-47(88)31-74-59(99)49(35(3)86)83-57(97)44(28-37-19-21-38(22-20-37)84(100)101)77-48(89)30-72-46(87)29-73-53(93)39(64)27-36-13-5-4-6-14-36)51(91)79-43(18-12-26-71-61(68)69)55(95)81-41(16-8-10-24-63)56(96)82-45(32-85)58(98)76-34(2)52(92)80-42(17-11-25-70-60(66)67)54(94)78-40(50(65)90)15-7-9-23-62/h4-6,13-14,19-22,33-35,39-45,49,85-86H,7-12,15-18,23-32,62-64H2,1-3H3,(H2,65,90)(H,72,87)(H,73,93)(H,74,99)(H,75,88)(H,76,98)(H,77,89)(H,78,94)(H,79,91)(H,80,92)(H,81,95)(H,82,96)(H,83,97)(H4,66,67,70)(H4,68,69,71)/t33-,34-,35+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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n/an/an/an/a 0.135n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP accumulation in CHO cells stably expressing the human OP4 receptor


J Med Chem 44: 3956-64 (2001)


Article DOI: 10.1021/jm010221v
BindingDB Entry DOI: 10.7270/Q26D5WR4
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
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n/an/an/an/a 0.140n/an/an/an/a



Purdue Pharma LP

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)


Article DOI: 10.1021/jm0202021
BindingDB Entry DOI: 10.7270/Q2474BKJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50475327
PNG
(CHEMBL410653)
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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN
Show InChI InChI=1S/C82H141N35O21/c1-44(103-62(122)42-102-79(138)65(46(3)119)115-76(135)57(38-48-21-8-5-9-22-48)105-63(123)41-100-61(121)40-101-68(127)49(86)37-47-19-6-4-7-20-47)66(125)106-53(26-16-34-97-80(88)89)70(129)110-52(25-12-15-33-85)74(133)114-59(43-118)77(136)104-45(2)67(126)107-54(27-17-35-98-81(90)91)71(130)108-50(23-10-13-31-83)69(128)111-55(28-18-36-99-82(92)93)72(131)109-51(24-11-14-32-84)73(132)113-58(39-60(87)120)75(134)112-56(78(137)116-94)29-30-64(124)117(95)96/h4-9,19-22,44-46,49-59,65,118-119H,10-18,23-43,83-86,94-96H2,1-3H3,(H2,87,120)(H,100,121)(H,101,127)(H,102,138)(H,103,122)(H,104,136)(H,105,123)(H,106,125)(H,107,126)(H,108,130)(H,109,131)(H,110,129)(H,111,128)(H,112,134)(H,113,132)(H,114,133)(H,115,135)(H,116,137)(H4,88,89,97)(H4,90,91,98)(H4,92,93,99)/t44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
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n/an/an/an/a 0.141n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist potency against GTPgammaS binding in CHO cell membranes expressing the human NOP receptor (CHOhNOP)


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50473476
PNG
(CHEMBL261997)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)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/C61H99FN22O15/c1-33(76-47(88)31-75-59(99)49(35(3)86)84-57(97)44(28-37-19-21-38(62)22-20-37)78-48(89)30-73-46(87)29-74-53(93)39(65)27-36-13-5-4-6-14-36)51(91)80-43(18-12-26-72-61(69)70)55(95)82-41(16-8-10-24-64)56(96)83-45(32-85)58(98)77-34(2)52(92)81-42(17-11-25-71-60(67)68)54(94)79-40(50(66)90)15-7-9-23-63/h4-6,13-14,19-22,33-35,39-45,49,85-86H,7-12,15-18,23-32,63-65H2,1-3H3,(H2,66,90)(H,73,87)(H,74,93)(H,75,99)(H,76,88)(H,77,98)(H,78,89)(H,79,94)(H,80,91)(H,81,92)(H,82,95)(H,83,96)(H,84,97)(H4,67,68,71)(H4,69,70,72)/t33-,34-,35+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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n/an/an/an/a 0.158n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP accumulation in CHO cells stably expressing the human OP4 receptor


J Med Chem 44: 3956-64 (2001)


Article DOI: 10.1021/jm010221v
BindingDB Entry DOI: 10.7270/Q26D5WR4
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
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n/an/an/an/a 0.200n/an/an/an/a



Purdue Pharma LP

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)


Article DOI: 10.1021/jm0202021
BindingDB Entry DOI: 10.7270/Q2474BKJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50475330
PNG
(CHEMBL442297)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC[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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN
Show InChI InChI=1S/C82H142FN35O20/c1-44(104-63(123)42-103-79(138)66(46(3)120)116-76(135)58(37-48-24-26-49(83)27-25-48)106-64(124)41-102-62(122)40-98-39-50(87)36-47-16-5-4-6-17-47)67(126)107-54(21-13-33-99-80(89)90)70(129)111-53(20-9-12-32-86)74(133)115-60(43-119)77(136)105-45(2)68(127)108-55(22-14-34-100-81(91)92)71(130)109-51(18-7-10-30-84)69(128)112-56(23-15-35-101-82(93)94)72(131)110-52(19-8-11-31-85)73(132)114-59(38-61(88)121)75(134)113-57(78(137)117-95)28-29-65(125)118(96)97/h4-6,16-17,24-27,44-46,50-60,66,98,119-120H,7-15,18-23,28-43,84-87,95-97H2,1-3H3,(H2,88,121)(H,102,122)(H,103,138)(H,104,123)(H,105,136)(H,106,124)(H,107,126)(H,108,127)(H,109,130)(H,110,131)(H,111,129)(H,112,128)(H,113,134)(H,114,132)(H,115,133)(H,116,135)(H,117,137)(H4,89,90,99)(H4,91,92,100)(H4,93,94,101)/t44-,45-,46+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
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n/an/an/an/a 0.209n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist potency against GTPgammaS binding in CHO cell membranes expressing the human NOP receptor (CHOhNOP)


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
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 0.219n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP accumulation in CHO cells stably expressing the human OP4 receptor


J Med Chem 44: 3956-64 (2001)


Article DOI: 10.1021/jm010221v
BindingDB Entry DOI: 10.7270/Q26D5WR4
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 0.230n/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)


Article DOI: 10.1021/acs.jmedchem.5b01976
BindingDB Entry DOI: 10.7270/Q2T72KC6
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50475325
PNG
(CHEMBL262544)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC[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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN
Show InChI InChI=1S/C82H143N35O20/c1-45(103-63(122)43-102-79(137)66(47(3)119)115-76(134)58(38-49-21-8-5-9-22-49)105-64(123)42-101-62(121)41-97-40-50(86)37-48-19-6-4-7-20-48)67(125)106-54(26-16-34-98-80(88)89)70(128)110-53(25-12-15-33-85)74(132)114-60(44-118)77(135)104-46(2)68(126)107-55(27-17-35-99-81(90)91)71(129)108-51(23-10-13-31-83)69(127)111-56(28-18-36-100-82(92)93)72(130)109-52(24-11-14-32-84)73(131)113-59(39-61(87)120)75(133)112-57(78(136)116-94)29-30-65(124)117(95)96/h4-9,19-22,45-47,50-60,66,97,118-119H,10-18,23-44,83-86,94-96H2,1-3H3,(H2,87,120)(H,101,121)(H,102,137)(H,103,122)(H,104,135)(H,105,123)(H,106,125)(H,107,126)(H,108,129)(H,109,130)(H,110,128)(H,111,127)(H,112,133)(H,113,131)(H,114,132)(H,115,134)(H,116,136)(H4,88,89,98)(H4,90,91,99)(H4,92,93,100)/t45-,46-,47+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
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n/an/an/an/a 0.240n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP levels in CHO cell membranes expressing the human NOP receptor (CHOhNOP)


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50473472
PNG
(CHEMBL412537)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1cccc(F)c1)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/C61H99FN22O15/c1-33(76-47(88)31-75-59(99)49(35(3)86)84-57(97)44(28-37-16-11-17-38(62)26-37)78-48(89)30-73-46(87)29-74-53(93)39(65)27-36-14-5-4-6-15-36)51(91)80-43(21-13-25-72-61(69)70)55(95)82-41(19-8-10-23-64)56(96)83-45(32-85)58(98)77-34(2)52(92)81-42(20-12-24-71-60(67)68)54(94)79-40(50(66)90)18-7-9-22-63/h4-6,11,14-17,26,33-35,39-45,49,85-86H,7-10,12-13,18-25,27-32,63-65H2,1-3H3,(H2,66,90)(H,73,87)(H,74,93)(H,75,99)(H,76,88)(H,77,98)(H,78,89)(H,79,94)(H,80,91)(H,81,92)(H,82,95)(H,83,96)(H,84,97)(H4,67,68,71)(H4,69,70,72)/t33-,34-,35+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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n/an/an/an/a 0.251n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP accumulation in CHO cells stably expressing the human OP4 receptor


J Med Chem 44: 3956-64 (2001)


Article DOI: 10.1021/jm010221v
BindingDB Entry DOI: 10.7270/Q26D5WR4
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50473474
PNG
(CHEMBL405648)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)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/C61H99ClN22O15/c1-33(76-47(88)31-75-59(99)49(35(3)86)84-57(97)44(28-37-19-21-38(62)22-20-37)78-48(89)30-73-46(87)29-74-53(93)39(65)27-36-13-5-4-6-14-36)51(91)80-43(18-12-26-72-61(69)70)55(95)82-41(16-8-10-24-64)56(96)83-45(32-85)58(98)77-34(2)52(92)81-42(17-11-25-71-60(67)68)54(94)79-40(50(66)90)15-7-9-23-63/h4-6,13-14,19-22,33-35,39-45,49,85-86H,7-12,15-18,23-32,63-65H2,1-3H3,(H2,66,90)(H,73,87)(H,74,93)(H,75,99)(H,76,88)(H,77,98)(H,78,89)(H,79,94)(H,80,91)(H,81,92)(H,82,95)(H,83,96)(H,84,97)(H4,67,68,71)(H4,69,70,72)/t33-,34-,35+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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n/an/an/an/a 0.269n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP accumulation in CHO cells stably expressing the human OP4 receptor


J Med Chem 44: 3956-64 (2001)


Article DOI: 10.1021/jm010221v
BindingDB Entry DOI: 10.7270/Q26D5WR4
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 LP

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)


Article DOI: 10.1021/jm0202021
BindingDB Entry DOI: 10.7270/Q2474BKJ
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)


Article DOI: 10.1021/jm900604g
BindingDB Entry DOI: 10.7270/Q2445NQD
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50533341
PNG
(CHEMBL4544227)
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-/m0/s1
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n/an/an/an/a 0.300n/an/an/an/a



Astraea Therapeutics

Curated by ChEMBL


Assay Description
Agonist activity at human nociceptin opioid receptor expressed in HEK293 cell membranes by GTPgamma(35)S binding assay


J Med Chem 59: 7011-28 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01499
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50473477
PNG
(CHEMBL427791)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)C#N)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/C62H99N23O15/c1-34(77-48(89)32-76-60(100)50(36(3)87)85-58(98)45(28-38-19-21-39(29-65)22-20-38)79-49(90)31-74-47(88)30-75-54(94)40(66)27-37-13-5-4-6-14-37)52(92)81-44(18-12-26-73-62(70)71)56(96)83-42(16-8-10-24-64)57(97)84-46(33-86)59(99)78-35(2)53(93)82-43(17-11-25-72-61(68)69)55(95)80-41(51(67)91)15-7-9-23-63/h4-6,13-14,19-22,34-36,40-46,50,86-87H,7-12,15-18,23-28,30-33,63-64,66H2,1-3H3,(H2,67,91)(H,74,88)(H,75,94)(H,76,100)(H,77,89)(H,78,99)(H,79,90)(H,80,95)(H,81,92)(H,82,93)(H,83,96)(H,84,97)(H,85,98)(H4,68,69,72)(H4,70,71,73)/t34-,35-,36+,40-,41-,42-,43-,44-,45-,46-,50-/m0/s1
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n/an/an/an/a 0.302n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP accumulation in CHO cells stably expressing the human OP4 receptor


J Med Chem 44: 3956-64 (2001)


Article DOI: 10.1021/jm010221v
BindingDB Entry DOI: 10.7270/Q26D5WR4
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50475330
PNG
(CHEMBL442297)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC[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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN
Show InChI InChI=1S/C82H142FN35O20/c1-44(104-63(123)42-103-79(138)66(46(3)120)116-76(135)58(37-48-24-26-49(83)27-25-48)106-64(124)41-102-62(122)40-98-39-50(87)36-47-16-5-4-6-17-47)67(126)107-54(21-13-33-99-80(89)90)70(129)111-53(20-9-12-32-86)74(133)115-60(43-119)77(136)105-45(2)68(127)108-55(22-14-34-100-81(91)92)71(130)109-51(18-7-10-30-84)69(128)112-56(23-15-35-101-82(93)94)72(131)110-52(19-8-11-31-85)73(132)114-59(38-61(88)121)75(134)113-57(78(137)117-95)28-29-65(125)118(96)97/h4-6,16-17,24-27,44-46,50-60,66,98,119-120H,7-15,18-23,28-43,84-87,95-97H2,1-3H3,(H2,88,121)(H,102,122)(H,103,138)(H,104,123)(H,105,136)(H,106,124)(H,107,126)(H,108,127)(H,109,130)(H,110,131)(H,111,129)(H,112,128)(H,113,134)(H,114,132)(H,115,133)(H,116,135)(H,117,137)(H4,89,90,99)(H4,91,92,100)(H4,93,94,101)/t44-,45-,46+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
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University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP levels in CHO cell membranes expressing the human NOP receptor (CHOhNOP)


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50475333
PNG
(CHEMBL264846)
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](Cc1ccc(F)cc1)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/C79H129FN28O21/c1-40(2)32-54(73(125)97-43(5)67(119)105-56(35-59(85)112)74(126)100-49(64(86)116)26-27-58(84)111)106-71(123)50(18-10-12-28-81)103-70(122)53(21-15-31-92-79(89)90)102-66(118)42(4)98-76(128)57(39-109)107-72(124)51(19-11-13-29-82)104-69(121)52(20-14-30-91-78(87)88)101-65(117)41(3)96-61(114)38-95-77(129)63(44(6)110)108-75(127)55(34-46-22-24-47(80)25-23-46)99-62(115)37-93-60(113)36-94-68(120)48(83)33-45-16-8-7-9-17-45/h7-9,16-17,22-25,40-44,48-57,63,109-110H,10-15,18-21,26-39,81-83H2,1-6H3,(H2,84,111)(H2,85,112)(H2,86,116)(H,93,113)(H,94,120)(H,95,129)(H,96,114)(H,97,125)(H,98,128)(H,99,115)(H,100,126)(H,101,117)(H,102,118)(H,103,122)(H,104,121)(H,105,119)(H,106,123)(H,107,124)(H,108,127)(H4,87,88,91)(H4,89,90,92)/t41-,42-,43-,44+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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n/an/an/an/a 0.309n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist potency against GTPgammaS binding in CHO cell membranes expressing the human NOP receptor (CHOhNOP)


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
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/an/an/a



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)


Article DOI: 10.1016/j.bmcl.2009.04.116
BindingDB Entry DOI: 10.7270/Q289145G
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 0.324n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP accumulation in CHO cells stably expressing the human OP4 receptor


J Med Chem 44: 3956-64 (2001)


Article DOI: 10.1021/jm010221v
BindingDB Entry DOI: 10.7270/Q26D5WR4
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(MOUSE)
BDBM50333105
PNG
(CHEMBL1631909 | H-FGGF(4-F)TGARKSARKLKNQ-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](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C82H136FN29O21/c1-43(2)35-57(76(129)108-53(20-10-13-31-85)74(127)110-59(38-62(89)116)77(130)103-51(67(90)120)28-29-61(88)115)109-73(126)52(19-9-12-30-84)106-72(125)56(23-16-34-96-82(93)94)105-69(122)45(4)101-79(132)60(42-113)111-75(128)54(21-11-14-32-86)107-71(124)55(22-15-33-95-81(91)92)104-68(121)44(3)100-64(118)41-99-80(133)66(46(5)114)112-78(131)58(37-48-24-26-49(83)27-25-48)102-65(119)40-97-63(117)39-98-70(123)50(87)36-47-17-7-6-8-18-47/h6-8,17-18,24-27,43-46,50-60,66,113-114H,9-16,19-23,28-42,84-87H2,1-5H3,(H2,88,115)(H2,89,116)(H2,90,120)(H,97,117)(H,98,123)(H,99,133)(H,100,118)(H,101,132)(H,102,119)(H,103,130)(H,104,121)(H,105,122)(H,106,125)(H,107,124)(H,108,129)(H,109,126)(H,110,127)(H,111,128)(H,112,131)(H4,91,92,95)(H4,93,94,96)/t44-,45-,46+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
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n/an/an/an/a 0.360n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at NOR in mouse Neuro-2a cells assessed as stimulation of ERK phopshorylation after 30 mins post dose by Alphascreen Surefire assay


J Med Chem 53: 8400-8408 (2010)


Article DOI: 10.1021/jm101139f
BindingDB Entry DOI: 10.7270/Q24Q7V77
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)


Article DOI: 10.1021/jm900604g
BindingDB Entry DOI: 10.7270/Q2445NQD
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)


Article DOI: 10.1021/jm7012979
BindingDB Entry DOI: 10.7270/Q29K4C5K
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50475331
PNG
(CHEMBL411649)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN
Show InChI InChI=1S/C82H140FN35O21/c1-44(104-63(124)42-103-79(139)66(46(3)120)116-76(136)57(36-47-24-26-49(83)27-25-47)106-64(125)41-102-62(123)40-101-61(122)39-97-38-48-16-5-4-6-17-48)67(127)107-53(21-13-33-98-80(88)89)70(130)111-52(20-9-12-32-86)74(134)115-59(43-119)77(137)105-45(2)68(128)108-54(22-14-34-99-81(90)91)71(131)109-50(18-7-10-30-84)69(129)112-55(23-15-35-100-82(92)93)72(132)110-51(19-8-11-31-85)73(133)114-58(37-60(87)121)75(135)113-56(78(138)117-94)28-29-65(126)118(95)96/h4-6,16-17,24-27,44-46,50-59,66,97,119-120H,7-15,18-23,28-43,84-86,94-96H2,1-3H3,(H2,87,121)(H,101,122)(H,102,123)(H,103,139)(H,104,124)(H,105,137)(H,106,125)(H,107,127)(H,108,128)(H,109,131)(H,110,132)(H,111,130)(H,112,129)(H,113,135)(H,114,133)(H,115,134)(H,116,136)(H,117,138)(H4,88,89,98)(H4,90,91,99)(H4,92,93,100)/t44-,45-,46+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,66-/m0/s1
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n/an/an/an/a 0.407n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist potency against GTPgammaS binding in CHO cell membranes expressing human NOP receptor (CHOhNOP)


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(MOUSE)
BDBM50475328
PNG
(CHEMBL414782)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN
Show InChI InChI=1S/C82H140FN35O21/c1-43(104-62(123)41-103-79(139)65(45(3)120)116-76(136)57(37-47-24-26-48(83)27-25-47)106-63(124)40-101-61(122)39-102-68(128)49(87)36-46-16-5-4-6-17-46)66(126)107-53(21-13-33-98-80(89)90)70(130)111-52(20-9-12-32-86)74(134)115-59(42-119)77(137)105-44(2)67(127)108-54(22-14-34-99-81(91)92)71(131)109-50(18-7-10-30-84)69(129)112-55(23-15-35-100-82(93)94)72(132)110-51(19-8-11-31-85)73(133)114-58(38-60(88)121)75(135)113-56(78(138)117-95)28-29-64(125)118(96)97/h4-6,16-17,24-27,43-45,49-59,65,119-120H,7-15,18-23,28-42,84-87,95-97H2,1-3H3,(H2,88,121)(H,101,122)(H,102,128)(H,103,139)(H,104,123)(H,105,137)(H,106,124)(H,107,126)(H,108,127)(H,109,131)(H,110,132)(H,111,130)(H,112,129)(H,113,135)(H,114,133)(H,115,134)(H,116,136)(H,117,138)(H4,89,90,98)(H4,91,92,99)(H4,93,94,100)/t43-,44-,45+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
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n/an/an/an/a 0.437n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contraction of mouse vas deferens


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
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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Purdue Pharma LP

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)


Article DOI: 10.1021/jm0202021
BindingDB Entry DOI: 10.7270/Q2474BKJ
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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Purdue Pharma LP

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)


Article DOI: 10.1021/jm0202021
BindingDB Entry DOI: 10.7270/Q2474BKJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50475329
PNG
(CHEMBL263588)
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](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC[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/C79H131FN28O20/c1-41(2)32-55(73(124)97-44(5)68(119)105-57(35-60(85)112)74(125)100-50(65(86)116)26-27-59(84)111)106-71(122)51(18-10-12-28-81)103-70(121)54(21-15-31-93-79(89)90)102-67(118)43(4)98-76(127)58(40-109)107-72(123)52(19-11-13-29-82)104-69(120)53(20-14-30-92-78(87)88)101-66(117)42(3)96-62(114)39-95-77(128)64(45(6)110)108-75(126)56(34-47-22-24-48(80)25-23-47)99-63(115)38-94-61(113)37-91-36-49(83)33-46-16-8-7-9-17-46/h7-9,16-17,22-25,41-45,49-58,64,91,109-110H,10-15,18-21,26-40,81-83H2,1-6H3,(H2,84,111)(H2,85,112)(H2,86,116)(H,94,113)(H,95,128)(H,96,114)(H,97,124)(H,98,127)(H,99,115)(H,100,125)(H,101,117)(H,102,118)(H,103,121)(H,104,120)(H,105,119)(H,106,122)(H,107,123)(H,108,126)(H4,87,88,92)(H4,89,90,93)/t42-,43-,44-,45+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
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University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP levels in CHO cell membranes expressing the human NOP receptor (CHOhNOP)


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
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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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)


Article DOI: 10.1021/jm7012979
BindingDB Entry DOI: 10.7270/Q29K4C5K
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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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)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
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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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)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(MOUSE)
BDBM50333095
PNG
(CHEMBL1631923)
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]1CCCCNC(=O)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC1=O)C(N)=O
Show InChI InChI=1S/C87H139N31O24/c1-46-72(129)115-60(39-64(92)122)81(138)113-57(29-30-63(91)121)80(137)114-58(71(93)128)40-65(123)98-33-16-12-26-52(74(131)105-46)108-76(133)53(23-9-13-31-88)109-78(135)56(28-18-36-101-87(96)97)112-82(139)61-41-66(124)99-34-15-11-25-51(75(132)111-55(27-17-35-100-86(94)95)77(134)110-54(24-10-14-32-89)79(136)117-62(45-119)84(141)116-61)106-69(127)44-104-85(142)70(47(2)120)118-83(140)59(38-49-21-7-4-8-22-49)107-68(126)43-102-67(125)42-103-73(130)50(90)37-48-19-5-3-6-20-48/h3-8,19-22,46-47,50-62,70,119-120H,9-18,23-45,88-90H2,1-2H3,(H2,91,121)(H2,92,122)(H2,93,128)(H,98,123)(H,99,124)(H,102,125)(H,103,130)(H,104,142)(H,105,131)(H,106,127)(H,107,126)(H,108,133)(H,109,135)(H,110,134)(H,111,132)(H,112,139)(H,113,138)(H,114,137)(H,115,129)(H,116,141)(H,117,136)(H,118,140)(H4,94,95,100)(H4,96,97,101)/t46-,47+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,70-/m0/s1
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n/an/an/an/a 0.610n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at NOR in mouse Neuro-2a cells assessed as stimulation of ERK phopshorylation after 30 mins post dose by Alphascreen Surefire assay


J Med Chem 53: 8400-8408 (2010)


Article DOI: 10.1021/jm101139f
BindingDB Entry DOI: 10.7270/Q24Q7V77
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)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
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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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)


Article DOI: 10.1021/jm800394v
BindingDB Entry DOI: 10.7270/Q2B56KN8
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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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)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
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)


Article DOI: 10.1016/j.bmcl.2009.04.023
BindingDB Entry DOI: 10.7270/Q24J0CFR
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 LP

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)


Article DOI: 10.1021/jm0202021
BindingDB Entry DOI: 10.7270/Q2474BKJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50472747
PNG
(CHEMBL414767)
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[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/C79H132N28O20/c1-42(2)33-55(73(123)96-45(5)68(118)104-57(36-60(84)111)74(124)99-50(65(85)115)27-28-59(83)110)105-71(121)51(23-13-15-29-80)102-70(120)54(26-18-32-92-79(88)89)101-67(117)44(4)97-76(126)58(41-108)106-72(122)52(24-14-16-30-81)103-69(119)53(25-17-31-91-78(86)87)100-66(116)43(3)95-62(113)40-94-77(127)64(46(6)109)107-75(125)56(35-48-21-11-8-12-22-48)98-63(114)39-93-61(112)38-90-37-49(82)34-47-19-9-7-10-20-47/h7-12,19-22,42-46,49-58,64,90,108-109H,13-18,23-41,80-82H2,1-6H3,(H2,83,110)(H2,84,111)(H2,85,115)(H,93,112)(H,94,127)(H,95,113)(H,96,123)(H,97,126)(H,98,114)(H,99,124)(H,100,116)(H,101,117)(H,102,120)(H,103,119)(H,104,118)(H,105,121)(H,106,122)(H,107,125)(H4,86,87,91)(H4,88,89,92)/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 0.759n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP levels in CHO cell membranes expressing the human NOP receptor (CHOhNOP)


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(MOUSE)
BDBM50475327
PNG
(CHEMBL410653)
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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN
Show InChI InChI=1S/C82H141N35O21/c1-44(103-62(122)42-102-79(138)65(46(3)119)115-76(135)57(38-48-21-8-5-9-22-48)105-63(123)41-100-61(121)40-101-68(127)49(86)37-47-19-6-4-7-20-47)66(125)106-53(26-16-34-97-80(88)89)70(129)110-52(25-12-15-33-85)74(133)114-59(43-118)77(136)104-45(2)67(126)107-54(27-17-35-98-81(90)91)71(130)108-50(23-10-13-31-83)69(128)111-55(28-18-36-99-82(92)93)72(131)109-51(24-11-14-32-84)73(132)113-58(39-60(87)120)75(134)112-56(78(137)116-94)29-30-64(124)117(95)96/h4-9,19-22,44-46,49-59,65,118-119H,10-18,23-43,83-86,94-96H2,1-3H3,(H2,87,120)(H,100,121)(H,101,127)(H,102,138)(H,103,122)(H,104,136)(H,105,123)(H,106,125)(H,107,126)(H,108,130)(H,109,131)(H,110,129)(H,111,128)(H,112,134)(H,113,132)(H,114,133)(H,115,135)(H,116,137)(H4,88,89,97)(H4,90,91,98)(H4,92,93,99)/t44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
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n/an/an/an/a 0.759n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contraction of mouse vas deferens


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
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