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Compile Data Set for Download or QSAR

Found 4129 hits Enz. Inhib. hit(s) with Target = 'Nociceptin/mu opioid receptor'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50452273
PNG
(DIHYDROMORPHINE | Dihydromorphine)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/an/a 0.200n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for Opioid receptor mu 1 affinity against the receptor site model site 1(mu1)


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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n/an/an/a 0.400n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1)


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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n/an/an/a 0.5 37n/an/a7.425



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 51: 1369-76 (2008)


Article DOI: 10.1021/jm070332f
BindingDB Entry DOI: 10.7270/Q2X63K7C
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021328
PNG
(3-Cyclopropylmethyl-11-ethyl-8-hydroxy-6-methyl-3,...)
Show SMILES CCC1C2N(CC3CC3)CCC1(C)c1cc(O)ccc1C2=O
Show InChI InChI=1S/C19H25NO2/c1-3-15-17-18(22)14-7-6-13(21)10-16(14)19(15,2)8-9-20(17)11-12-4-5-12/h6-7,10,12,15,17,21H,3-5,8-9,11H2,1-2H3
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n/an/an/a 0.5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1)


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50411362
PNG
(CHEMBL437744)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)C(CN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)NC(C)(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(N)=O)C(N)=O
Show InChI InChI=1S/C84H142FN33O21/c1-44(67(126)108-54(22-14-34-100-81(94)95)71(130)109-51(19-8-11-31-86)70(129)112-55(23-15-35-101-82(96)97)72(131)110-52(20-9-12-32-87)73(132)113-58(39-62(92)122)76(135)107-50(66(93)125)29-30-61(91)121)105-78(137)60(43-119)115-74(133)53(21-10-13-33-88)111-75(134)56(24-16-36-102-83(98)99)116-80(139)84(3,4)118-64(124)42-104-79(138)65(45(2)120)117-77(136)57(38-47-25-27-48(85)28-26-47)106-63(123)41-103-69(128)59(40-89)114-68(127)49(90)37-46-17-6-5-7-18-46/h5-7,17-18,25-28,44-45,49-60,65,119-120H,8-16,19-24,29-43,86-90H2,1-4H3,(H2,91,121)(H2,92,122)(H2,93,125)(H,103,128)(H,104,138)(H,105,137)(H,106,123)(H,107,135)(H,108,126)(H,109,130)(H,110,131)(H,111,134)(H,112,129)(H,113,132)(H,114,127)(H,115,133)(H,116,139)(H,117,136)(H,118,124)(H4,94,95,100)(H4,96,97,101)(H4,98,99,102)/t44-,45+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59?,60-,65-/m0/s1
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n/an/an/a 0.603n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at NOP receptor in Sprague-Dawley rat vas deferens assessed as effect on electrically stimulated contractions


Bioorg Med Chem 15: 4434-43 (2007)


Article DOI: 10.1016/j.bmc.2007.04.026
BindingDB Entry DOI: 10.7270/Q22R3SVP
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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n/an/an/a 0.850 37n/an/an/an/a



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 49: 2868-75 (2006)


Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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n/an/an/a 0.850 37n/an/a7.425



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 50: 5528-32 (2007)


Article DOI: 10.1021/jm061465o
BindingDB Entry DOI: 10.7270/Q2D50K8P
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21025
PNG
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1
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n/an/an/a 0.900n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1)


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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n/an/an/a 3n/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [N-allyl-2-3-3H]-naloxone to membrane of baby hamster kidney cells infected with forest virus encoding the...


Bioorg Med Chem Lett 10: 831-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00111-6
BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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n/an/an/a 5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1)


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021322
PNG
(3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...)
Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1
Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3
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n/an/an/a 5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021322
PNG
(3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...)
Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1
Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3
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n/an/an/a 6.20n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mu2 opioid receptor affinity against the receptor site model site 2 (mu2) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021328
PNG
(3-Cyclopropylmethyl-11-ethyl-8-hydroxy-6-methyl-3,...)
Show SMILES CCC1C2N(CC3CC3)CCC1(C)c1cc(O)ccc1C2=O
Show InChI InChI=1S/C19H25NO2/c1-3-15-17-18(22)14-7-6-13(21)10-16(14)19(15,2)8-9-20(17)11-12-4-5-12/h6-7,10,12,15,17,21H,3-5,8-9,11H2,1-2H3
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n/an/an/a 6.70n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 2 affinity against the receptor site model site 2(mu2)


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50019093
PNG
(1-Cyclopropylmethyl-3-(3-hydroxy-phenyl)-piperidin...)
Show SMILES CCOC(=O)[C@@]1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C18H25NO3/c1-2-22-17(21)18(15-5-3-6-16(20)11-15)9-4-10-19(13-18)12-14-7-8-14/h3,5-6,11,14,20H,2,4,7-10,12-13H2,1H3/t18-/m1/s1
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n/an/an/a 8n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor mu 1 in rat brain membrane was determined by using curve-fitting ligands ([3H]DHM, [3H]DADL, [3H]DSLET, [3H]EKC)


J Med Chem 31: 2015-21 (1988)


Article DOI: 10.1021/jm00118a028
BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50452273
PNG
(DIHYDROMORPHINE | Dihydromorphine)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/an/a 10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 2 affinity against the receptor site model site 2(mu2)


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021322
PNG
(3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...)
Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1
Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3
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n/an/an/a 13n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21025
PNG
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1
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n/an/an/a 22n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 2 affinity against the receptor site model site 2(mu2)


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021323
PNG
(3-(1-Allyl-3-methyl-piperidin-3-yl)-phenol | 3-(1-...)
Show SMILES CC1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-3-9-16-10-5-8-15(2,12-16)13-6-4-7-14(17)11-13/h3-4,6-7,11,17H,1,5,8-10,12H2,2H3
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n/an/an/a 24n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50019094
PNG
(1-Allyl-3-(3-hydroxy-phenyl)-piperidine-3-carboxyl...)
Show SMILES CCOC(=O)[C@@]1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C17H23NO3/c1-3-10-18-11-6-9-17(13-18,16(20)21-4-2)14-7-5-8-15(19)12-14/h3,5,7-8,12,19H,1,4,6,9-11,13H2,2H3/t17-/m1/s1
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n/an/an/a 26n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor mu 1 in rat brain membrane was determined by using curve-fitting ligands ([3H]DHM, [3H]DADL, [3H]DSLET, [3H]EKC)


J Med Chem 31: 2015-21 (1988)


Article DOI: 10.1021/jm00118a028
BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021324
PNG
(3-(1-Cyclopropylmethyl-3-methyl-piperidin-3-yl)-ph...)
Show SMILES CC1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-16(14-4-2-5-15(18)10-14)8-3-9-17(12-16)11-13-6-7-13/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3
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n/an/an/a 32n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50019092
PNG
(3-(3-Hydroxy-phenyl)-1-methyl-piperidine-3-carboxy...)
Show SMILES CCOC(=O)[C@@]1(CCCN(C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO3/c1-3-19-14(18)15(8-5-9-16(2)11-15)12-6-4-7-13(17)10-12/h4,6-7,10,17H,3,5,8-9,11H2,1-2H3/t15-/m1/s1
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n/an/an/a 36n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor mu 1 in rat brain membrane was determined by using curve-fitting ligands ([3H]DHM, [3H]DADL, [3H]DSLET, [3H]EKC)


J Med Chem 31: 2015-21 (1988)


Article DOI: 10.1021/jm00118a028
BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021324
PNG
(3-(1-Cyclopropylmethyl-3-methyl-piperidin-3-yl)-ph...)
Show SMILES CC1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-16(14-4-2-5-15(18)10-14)8-3-9-17(12-16)11-13-6-7-13/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3
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n/an/an/a 43n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mu2 opioid receptor affinity against the receptor site model site 2 (mu2) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50411363
PNG
(CHEMBL269068 | UFP-111)
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)NC(C)(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(N)=O)C(N)=O
Show InChI InChI=1S/C83H140N32O21/c1-45(67(124)106-54(27-17-35-97-80(91)92)70(127)107-51(24-11-14-32-84)69(126)110-55(28-18-36-98-81(93)94)71(128)108-52(25-12-15-33-85)72(129)111-58(40-61(89)119)75(132)105-50(66(90)123)30-31-60(88)118)103-77(134)59(44-116)112-73(130)53(26-13-16-34-86)109-74(131)56(29-19-37-99-82(95)96)113-79(136)83(3,4)115-64(122)43-102-78(135)65(46(2)117)114-76(133)57(39-48-22-9-6-10-23-48)104-63(121)42-100-62(120)41-101-68(125)49(87)38-47-20-7-5-8-21-47/h5-10,20-23,45-46,49-59,65,116-117H,11-19,24-44,84-87H2,1-4H3,(H2,88,118)(H2,89,119)(H2,90,123)(H,100,120)(H,101,125)(H,102,135)(H,103,134)(H,104,121)(H,105,132)(H,106,124)(H,107,127)(H,108,128)(H,109,131)(H,110,126)(H,111,129)(H,112,130)(H,113,136)(H,114,133)(H,115,122)(H4,91,92,97)(H4,93,94,98)(H4,95,96,99)/t45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
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n/an/an/a 87.1n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at NOP receptor in Sprague-Dawley rat vas deferens assessed as effect on electrically stimulated contractions


Bioorg Med Chem 15: 4434-43 (2007)


Article DOI: 10.1016/j.bmc.2007.04.026
BindingDB Entry DOI: 10.7270/Q22R3SVP
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021323
PNG
(3-(1-Allyl-3-methyl-piperidin-3-yl)-phenol | 3-(1-...)
Show SMILES CC1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-3-9-16-10-5-8-15(2,12-16)13-6-4-7-14(17)11-13/h3-4,6-7,11,17H,1,5,8-10,12H2,2H3
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n/an/an/a 100n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
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/a 100n/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Compound was tested for inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat ...


Bioorg Med Chem Lett 10: 831-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00111-6
BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021323
PNG
(3-(1-Allyl-3-methyl-piperidin-3-yl)-phenol | 3-(1-...)
Show SMILES CC1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-3-9-16-10-5-8-15(2,12-16)13-6-4-7-14(17)11-13/h3-4,6-7,11,17H,1,5,8-10,12H2,2H3
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n/an/an/a 110n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021327
PNG
(3-(1,3-Dimethyl-piperidin-3-yl)-phenol | 3-(1,3-Di...)
Show SMILES CN1CCCC(C)(C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-13(7-4-8-14(2)10-13)11-5-3-6-12(15)9-11/h3,5-6,9,15H,4,7-8,10H2,1-2H3
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n/an/an/a 114n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021324
PNG
(3-(1-Cyclopropylmethyl-3-methyl-piperidin-3-yl)-ph...)
Show SMILES CC1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-16(14-4-2-5-15(18)10-14)8-3-9-17(12-16)11-13-6-7-13/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3
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n/an/an/a 120n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021322
PNG
(3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...)
Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1
Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3
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n/an/an/a 130n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mu2 opioid receptor affinity against the receptor site model site 2 (mu2) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021327
PNG
(3-(1,3-Dimethyl-piperidin-3-yl)-phenol | 3-(1,3-Di...)
Show SMILES CN1CCCC(C)(C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-13(7-4-8-14(2)10-13)11-5-3-6-12(15)9-11/h3,5-6,9,15H,4,7-8,10H2,1-2H3
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n/an/an/a 132n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50019097
PNG
(1-Cyclopropylmethyl-3-(3-hydroxy-phenyl)-2-methyl-...)
Show SMILES CCOC(=O)[C@@]1(CCCN(CC2CC2)[C@H]1C)c1cccc(O)c1
Show InChI InChI=1S/C19H27NO3/c1-3-23-18(22)19(16-6-4-7-17(21)12-16)10-5-11-20(14(19)2)13-15-8-9-15/h4,6-7,12,14-15,21H,3,5,8-11,13H2,1-2H3/t14-,19+/m0/s1
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n/an/an/a 154n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor mu 1 in rat brain membrane was determined by using curve-fitting ligands ([3H]DHM, [3H]DADL, [3H]DSLET, [3H]EKC)


J Med Chem 31: 2015-21 (1988)


Article DOI: 10.1021/jm00118a028
BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50019098
PNG
(3-(3-Hydroxy-phenyl)-1,2-dimethyl-piperidine-3-car...)
Show SMILES CCOC(=O)[C@@]1(CCCN(C)[C@H]1C)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO3/c1-4-20-15(19)16(9-6-10-17(3)12(16)2)13-7-5-8-14(18)11-13/h5,7-8,11-12,18H,4,6,9-10H2,1-3H3/t12-,16+/m0/s1
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n/an/an/a 178n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor mu 1 in rat brain membrane was determined by using curve-fitting ligands ([3H]DHM, [3H]DADL, [3H]DSLET, [3H]EKC)


J Med Chem 31: 2015-21 (1988)


Article DOI: 10.1021/jm00118a028
BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021324
PNG
(3-(1-Cyclopropylmethyl-3-methyl-piperidin-3-yl)-ph...)
Show SMILES CC1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-16(14-4-2-5-15(18)10-14)8-3-9-17(12-16)11-13-6-7-13/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3
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n/an/an/a 256n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mu2 opioid receptor affinity against the receptor site model site 2 (mu2) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50019095
PNG
(1-Allyl-3-(3-hydroxy-phenyl)-2-methyl-piperidine-3...)
Show SMILES CCOC(=O)[C@@]1(CCCN(CC=C)[C@H]1C)c1cccc(O)c1
Show InChI InChI=1S/C18H25NO3/c1-4-11-19-12-7-10-18(14(19)3,17(21)22-5-2)15-8-6-9-16(20)13-15/h4,6,8-9,13-14,20H,1,5,7,10-12H2,2-3H3/t14-,18+/m0/s1
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n/an/an/a 310n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor mu 1 in rat brain membrane was determined by using curve-fitting ligands ([3H]DHM, [3H]DADL, [3H]DSLET, [3H]EKC)


J Med Chem 31: 2015-21 (1988)


Article DOI: 10.1021/jm00118a028
BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021323
PNG
(3-(1-Allyl-3-methyl-piperidin-3-yl)-phenol | 3-(1-...)
Show SMILES CC1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-3-9-16-10-5-8-15(2,12-16)13-6-4-7-14(17)11-13/h3-4,6-7,11,17H,1,5,8-10,12H2,2H3
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n/an/an/a 370n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mu2 opioid receptor affinity against the receptor site model site 2 (mu2) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50019091
PNG
(3-(3-Hydroxy-phenyl)-2-methyl-1-phenethyl-piperidi...)
Show SMILES CCOC(=O)[C@@]1(CCCN(CCc2ccccc2)[C@H]1C)c1cccc(O)c1
Show InChI InChI=1S/C23H29NO3/c1-3-27-22(26)23(20-11-7-12-21(25)17-20)14-8-15-24(18(23)2)16-13-19-9-5-4-6-10-19/h4-7,9-12,17-18,25H,3,8,13-16H2,1-2H3/t18-,23+/m0/s1
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n/an/an/a 380n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor mu 1 in rat brain membrane was determined by using curve-fitting ligands ([3H]DHM, [3H]DADL, [3H]DSLET, [3H]EKC)


J Med Chem 31: 2015-21 (1988)


Article DOI: 10.1021/jm00118a028
BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021327
PNG
(3-(1,3-Dimethyl-piperidin-3-yl)-phenol | 3-(1,3-Di...)
Show SMILES CN1CCCC(C)(C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-13(7-4-8-14(2)10-13)11-5-3-6-12(15)9-11/h3,5-6,9,15H,4,7-8,10H2,1-2H3
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n/an/an/a 1.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mu2 opioid receptor affinity against the receptor site model site 2 (mu2) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021327
PNG
(3-(1,3-Dimethyl-piperidin-3-yl)-phenol | 3-(1,3-Di...)
Show SMILES CN1CCCC(C)(C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-13(7-4-8-14(2)10-13)11-5-3-6-12(15)9-11/h3,5-6,9,15H,4,7-8,10H2,1-2H3
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n/an/an/a 1.17E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mu2 opioid receptor affinity against the receptor site model site 2 (mu2) by using the curve-fitting program LIGAND


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50111903
PNG
((S)-1-[(S)-2-{2-[(S)-2-{(S)-2-[(S)-2-Amino-3-(4-hy...)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c(C)cccc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C42H54N8O10/c1-23-6-4-7-24(2)30(23)20-32(48-38(56)25(3)46-39(57)31(43)18-26-9-13-28(52)14-10-26)40(58)45-21-36(54)47-33(19-27-11-15-29(53)16-12-27)42(60)50-17-5-8-35(50)41(59)49-34(22-51)37(44)55/h4,6-7,9-16,25,31-35,51-53H,5,8,17-22,43H2,1-3H3,(H2,44,55)(H,45,58)(H,46,57)(H,47,54)(H,48,56)(H,49,59)/t25-,31-,32-,33-,34-,35-/m0/s1
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0.000540n/an/an/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Opioid receptor mu 1 using [3H]-DAMGO in rat brain synaptosomes was determined


Bioorg Med Chem Lett 12: 879-81 (2002)


Article DOI: 10.1016/s0960-894x(02)00035-5
BindingDB Entry DOI: 10.7270/Q2X34WSM
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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0.000950n/an/an/an/an/an/an/an/a



Pudue Pharma Discovery Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 306: 377-86 (2003)


Article DOI: 10.1124/jpet.102.045674
BindingDB Entry DOI: 10.7270/Q2TX3CX5
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50125999
PNG
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O
Show InChI InChI=1S/C29H42N8O5/c1-17-13-20(38)14-18(2)21(17)16-22(30)26(40)36-23(9-6-11-35-29(32)33)28(42)37-24(15-19-7-4-3-5-8-19)27(41)34-12-10-25(31)39/h3-5,7-8,13-14,22-24,38H,6,9-12,15-16,30H2,1-2H3,(H2,31,39)(H,34,41)(H,36,40)(H,37,42)(H4,32,33,35)/t22-,23+,24-/m0/s1
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0.00205n/an/an/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-DAMGO from mu opioid receptor


Bioorg Med Chem Lett 13: 1269-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00110-0
BindingDB Entry DOI: 10.7270/Q2XS5TQ5
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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0.00240n/an/an/an/an/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain after 45 mins


J Med Chem 51: 173-7 (2008)


Article DOI: 10.1021/jm7010222
BindingDB Entry DOI: 10.7270/Q2ZS2XBN
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50033532
PNG
(CHEMBL435380 | N-[(3S,4R)-1-((R)-2-Hydroxy-2-pheny...)
Show SMILES CCC(=O)N([C@@H]1CCN(C[C@H](O)c2ccccc2)C[C@@H]1C)c1ccccc1
Show InChI InChI=1S/C23H30N2O2/c1-3-23(27)25(20-12-8-5-9-13-20)21-14-15-24(16-18(21)2)17-22(26)19-10-6-4-7-11-19/h4-13,18,21-22,26H,3,14-17H2,1-2H3/t18-,21+,22-/m0/s1
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0.00500n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 using [3H]DAMGO as radioligand.


J Med Chem 38: 1547-57 (1995)


Article DOI: 10.1021/jm00009a015
BindingDB Entry DOI: 10.7270/Q2GQ6ZDF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50033536
PNG
(CHEMBL121494 | N-[(3R,4R)-1-((R)-2-Hydroxy-2-pheny...)
Show SMILES CCC(=O)N([C@@H]1CCN(C[C@H](O)c2ccccc2)C[C@H]1C)c1ccccc1
Show InChI InChI=1S/C23H30N2O2/c1-3-23(27)25(20-12-8-5-9-13-20)21-14-15-24(16-18(21)2)17-22(26)19-10-6-4-7-11-19/h4-13,18,21-22,26H,3,14-17H2,1-2H3/t18-,21-,22+/m1/s1
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0.00550n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 using [3H]DAMGO as radioligand.


J Med Chem 38: 1547-57 (1995)


Article DOI: 10.1021/jm00009a015
BindingDB Entry DOI: 10.7270/Q2GQ6ZDF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50096716
PNG
(CHEMBL100480 | Enkephalin derivative)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C30H41N5O7/c1-17(2)10-25(30(41)42)35-29(40)24(13-20-8-6-5-7-9-20)34-27(38)16-32-26(37)15-33-28(39)23(31)14-22-18(3)11-21(36)12-19(22)4/h5-9,11-12,17,23-25,36H,10,13-16,31H2,1-4H3,(H,32,37)(H,33,39)(H,34,38)(H,35,40)(H,41,42)/t23-,24-,25-/m0/s1
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0.00680n/an/an/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity was determined towards Opioid receptor mu 1 in rat brain synaptosomes using [3H]-DAMGO as radioligand.


Bioorg Med Chem Lett 11: 327-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00665-x
BindingDB Entry DOI: 10.7270/Q2571B8P
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50008834
PNG
(CHEMBL3236671)
Show SMILES Cc1cccc(C)c1C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C34H52N8O6/c1-19-9-7-10-20(2)25(19)18-29(32(46)41-28(33(47)48)11-5-6-13-35)42-31(45)27(12-8-14-39-34(37)38)40-30(44)26(36)17-24-21(3)15-23(43)16-22(24)4/h7,9-10,15-16,26-29,43H,5-6,8,11-14,17-18,35-36H2,1-4H3,(H,40,44)(H,41,46)(H,42,45)(H,47,48)(H4,37,38,39)/t26-,27+,28-,29-/m0/s1
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0.00935n/an/an/an/an/an/an/an/a



Nanjing Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes after 2 hrs


Bioorg Med Chem 22: 2333-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.011
BindingDB Entry DOI: 10.7270/Q20P11JG
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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0.00950n/an/an/an/an/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain after 45 mins


J Med Chem 51: 173-7 (2008)


Article DOI: 10.1021/jm7010222
BindingDB Entry DOI: 10.7270/Q2ZS2XBN
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50334988
PNG
((S)-2-amino-N-((R)-1-(2-((S)-3-(4-fluorophenyl)-1-...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1
Show InChI InChI=1S/C39H49FN6O6/c1-5-36(49)46(29-9-7-6-8-10-29)30-15-17-45(18-16-30)39(52)34(21-27-11-13-28(40)14-12-27)44-35(48)23-42-37(50)26(4)43-38(51)33(41)22-32-24(2)19-31(47)20-25(32)3/h6-14,19-20,26,30,33-34,47H,5,15-18,21-23,41H2,1-4H3,(H,42,50)(H,43,51)(H,44,48)/t26-,33+,34+/m1/s1
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0.0100n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells


J Med Chem 54: 382-6 (2011)


Article DOI: 10.1021/jm100982d
BindingDB Entry DOI: 10.7270/Q2N29XWF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50166065
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C36H42N6O5/c1-21-15-25(43)16-22(2)27(21)19-28(37)36(47)42-14-8-13-32(42)35(46)41-31(17-23-9-4-3-5-10-23)34(45)40-30(33(38)44)18-24-20-39-29-12-7-6-11-26(24)29/h3-7,9-12,15-16,20,28,30-32,39,43H,8,13-14,17-19,37H2,1-2H3,(H2,38,44)(H,40,45)(H,41,46)/t28-,30-,31-,32-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



University of Szeged

Curated by ChEMBL


Assay Description
Inhibition of DAMGO (Tyr-[D-Ala]-Gly-[NMe-Phe]-Gly-ol) binding to rat brain mu opioid receptor


J Med Chem 48: 3239-50 (2005)


Article DOI: 10.1021/jm049157i
BindingDB Entry DOI: 10.7270/Q28P601Q
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133884
PNG
(CHEMBL3634251)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(CC3CCCCC3)cc12
Show InChI InChI=1S/C28H38N2O2/c1-18-13-23(31)14-19(2)24(18)17-26(29)28(32)30-27-10-6-9-22-12-11-21(16-25(22)27)15-20-7-4-3-5-8-20/h11-14,16,20,26-27,31H,3-10,15,17,29H2,1-2H3,(H,30,32)/t26-,27+/m0/s1
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0.0120n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
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