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Compile Data Set for Download or QSAR

Found 458 hits with Last Name = 'zaveri' and Initial = 'n'   
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 receptor


(Homo sapiens (Human))
BDBM21842
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity for human nociceptin (NOP) receptor using [3H]N/OFQ as radioligand transfected into CHO cells


Bioorg Med Chem Lett 14: 181-5 (2003)


BindingDB Entry DOI: 10.7270/Q24X58BV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0600n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 3 hrs


J Med Chem 53: 8187-91 (2010)


Article DOI: 10.1021/jm1006148
BindingDB Entry DOI: 10.7270/Q2MC9080
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 |r|
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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0.120n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human nociceptin opioid receptor transfected in CHO cell membranes


Bioorg Med Chem 22: 2508-16 (2014)


Article DOI: 10.1016/j.bmc.2014.02.047
BindingDB Entry DOI: 10.7270/Q2VH5QC2
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.150n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 3 hrs


J Med Chem 53: 8187-91 (2010)


Article DOI: 10.1021/jm1006148
BindingDB Entry DOI: 10.7270/Q2MC9080
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 |r|
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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0.210n/an/an/an/an/an/an/an/a



Astraea Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin/orphanin FQ from recombinant human nociceptin opioid receptor expressed in HEK293 cell membranes after 60 mins


J Med Chem 59: 7011-28 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01499
BindingDB Entry DOI: 10.7270/Q2057KDD
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50514549
PNG
(CHEMBL4548515)
Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN)c2ccccc12 |r,wD:6.9,3.2,(34,-19.87,;35.3,-19.05,;36.67,-19.77,;35.24,-17.51,;36.54,-16.68,;36.48,-15.14,;35.12,-14.43,;33.81,-15.26,;33.88,-16.79,;35.04,-12.89,;33.68,-12.18,;33.61,-10.65,;34.9,-9.81,;36.27,-10.52,;36.34,-12.06,;34.83,-8.28,;36.03,-7.32,;35.49,-5.88,;36.33,-4.59,;37.86,-4.68,;33.95,-5.95,;32.87,-4.86,;31.38,-5.25,;30.98,-6.74,;32.07,-7.83,;33.54,-7.44,)|
Show InChI InChI=1S/C23H35N3/c1-17(2)18-7-9-20(10-8-18)25-13-11-21(12-14-25)26-16-19(15-24)22-5-3-4-6-23(22)26/h3-6,16-18,20-21H,7-15,24H2,1-2H3/t18-,20+
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0.300n/an/an/an/an/an/an/an/a



Astraea Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method


J Med Chem 63: 2688-2704 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50400870
PNG
(CHEMBL559569 | SB-612111)
Show SMILES Cc1cccc2C(O)CC(CN3CCC(CC3)c3c(Cl)cccc3Cl)CCc12
Show InChI InChI=1S/C24H29Cl2NO/c1-16-4-2-5-20-19(16)9-8-17(14-23(20)28)15-27-12-10-18(11-13-27)24-21(25)6-3-7-22(24)26/h2-7,17-18,23,28H,8-15H2,1H3
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0.330n/an/an/an/an/an/an/an/a



Astraea Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from recombinant human nociceptin opioid receptor expressed in CHO cell membranes after 60 mins by scintillation count...


J Med Chem 59: 7011-28 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01499
BindingDB Entry DOI: 10.7270/Q2057KDD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nociceptin receptor


(Homo sapiens (Human))
BDBM50533343
PNG
(CHEMBL4474536)
Show SMILES NCc1ccccc1C1(O)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl |TLB:9:8:16:12.13,THB:7:8:16:12.13|
Show InChI InChI=1S/C27H28Cl2N2O/c28-24-11-5-2-8-21(24)26(22-9-3-6-12-25(22)29)31-19-13-14-20(31)16-27(32,15-19)23-10-4-1-7-18(23)17-30/h1-12,19-20,26,32H,13-17,30H2
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0.380n/an/an/an/an/an/an/an/a



Astraea Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin/orphanin FQ from human nociceptin opioid receptor expressed in CHO cell membranes after 1 hr by microplate sc...


J Med Chem 59: 7011-28 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01499
BindingDB Entry DOI: 10.7270/Q2057KDD
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM21844
PNG
(8-[(1R,3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-y...)
Show SMILES [H][C@@]12CCCc3cccc([C@@H](CC1)N1CCC4(CC1)N(CNC4=O)c1ccccc1)c23 |r|
Show InChI InChI=1S/C26H31N3O/c30-25-26(29(18-27-25)21-9-2-1-3-10-21)14-16-28(17-15-26)23-13-12-20-7-4-6-19-8-5-11-22(23)24(19)20/h1-3,5,8-11,20,23H,4,6-7,12-18H2,(H,27,30)/t20-,23-/m1/s1
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0.390n/an/an/an/an/an/an/an/a



Astraea Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human nociceptin opioid receptor


J Med Chem 59: 7011-28 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01499
BindingDB Entry DOI: 10.7270/Q2057KDD
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50137564
PNG
(1'-(4-isopropylcyclohexyl)-2-methyl-5-phenyl-(3aR,...)
Show SMILES CC(C)C1CCC(CC1)N1CCC2(CC1)[C@@H]1CN(C)C[C@@H]1CC2c1ccccc1 |wD:15.17,20.21,(-1,-1.94,;-.25,-.59,;-1.04,.74,;1.29,-.57,;2.08,-1.9,;3.62,-1.87,;4.37,-.54,;3.58,.79,;2.04,.76,;5.91,-.52,;6.66,.82,;8.2,.83,;8.98,-.5,;8.22,-1.83,;6.68,-1.85,;9.88,.76,;9.88,2.29,;11.32,2.77,;11.79,4.24,;12.23,1.53,;11.34,.3,;11.36,-1.24,;9.9,-1.73,;9.43,-3.2,;10.48,-4.32,;10.02,-5.79,;8.52,-6.14,;7.47,-5,;7.94,-3.53,)|
Show InChI InChI=1S/C27H42N2/c1-20(2)21-9-11-24(12-10-21)29-15-13-27(14-16-29)25(22-7-5-4-6-8-22)17-23-18-28(3)19-26(23)27/h4-8,20-21,23-26H,9-19H2,1-3H3/t21?,23-,24?,25?,26+/m0/s1
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0.490n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity for human nociceptin (NOP) receptor using [3H]N/OFQ as radioligand transfected into CHO cells


Bioorg Med Chem Lett 14: 181-5 (2003)


BindingDB Entry DOI: 10.7270/Q24X58BV
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50533339
PNG
(CHEMBL1907858)
Show SMILES [H][C@@]1(Cc2cccc3cccc1c23)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |r|
Show InChI InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)/t22-/m0/s1
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0.520n/an/an/an/an/an/an/an/a



Astraea Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]-orphanin FQ from human nociceptin opioid receptor expressed in HEK293 cell membranes


J Med Chem 59: 7011-28 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01499
BindingDB Entry DOI: 10.7270/Q2057KDD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50533342
PNG
(Cebranopadol | GRT-6005 | GRT6005)
Show SMILES CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:3.2,wD:6.9,(22.98,-15.72,;21.49,-16.12,;20.4,-15.04,;21.1,-17.62,;20.33,-18.95,;18.8,-18.94,;18.04,-17.61,;18.8,-16.28,;20.34,-16.29,;17.13,-18.87,;15.59,-18.71,;14.96,-17.29,;15.87,-16.05,;17.41,-16.21,;18.04,-14.8,;16.89,-13.76,;16.89,-12.21,;15.55,-11.44,;14.22,-12.21,;12.89,-11.44,;14.22,-13.76,;15.55,-14.53,;22.63,-17.63,;23.4,-18.97,;24.94,-18.98,;25.72,-17.65,;24.94,-16.3,;23.41,-16.3,)|
Show InChI InChI=1S/C24H27FN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3/t23-,24-
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0.700n/an/an/an/an/an/an/an/a



Astraea Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [N-allyl-2,3-3H]naloxone from recombinant human mu opioid receptor expressed in CHOK1 cell membranes after 90 mins by scintillation c...


J Med Chem 59: 7011-28 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01499
BindingDB Entry DOI: 10.7270/Q2057KDD
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50533342
PNG
(Cebranopadol | GRT-6005 | GRT6005)
Show SMILES CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:3.2,wD:6.9,(22.98,-15.72,;21.49,-16.12,;20.4,-15.04,;21.1,-17.62,;20.33,-18.95,;18.8,-18.94,;18.04,-17.61,;18.8,-16.28,;20.34,-16.29,;17.13,-18.87,;15.59,-18.71,;14.96,-17.29,;15.87,-16.05,;17.41,-16.21,;18.04,-14.8,;16.89,-13.76,;16.89,-12.21,;15.55,-11.44,;14.22,-12.21,;12.89,-11.44,;14.22,-13.76,;15.55,-14.53,;22.63,-17.63,;23.4,-18.97,;24.94,-18.98,;25.72,-17.65,;24.94,-16.3,;23.41,-16.3,)|
Show InChI InChI=1S/C24H27FN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3/t23-,24-
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0.900n/an/an/an/an/an/an/an/a



Astraea Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [leucyl-3H]nociceptin from human nociceptin opioid receptor expressed in HEK293 cell membranes after 90 mins by scintillation countin...


J Med Chem 59: 7011-28 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01499
BindingDB Entry DOI: 10.7270/Q2057KDD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor transfected in CHO cell membranes after 60 mins


Bioorg Med Chem 22: 2508-16 (2014)


Article DOI: 10.1016/j.bmc.2014.02.047
BindingDB Entry DOI: 10.7270/Q2VH5QC2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50137565
PNG
(1-((2R,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)...)
Show SMILES O=c1[nH]c2ccccc2n1[C@@H]1CCN2[C@H](CCC[C@H]2c2ccccc2)C1
Show InChI InChI=1S/C22H25N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h1-5,7-8,10-11,17-18,20H,6,9,12-15H2,(H,23,26)/t17-,18-,20+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity for human opioid receptor kappa 1 using [3H]- U-69,593 as radioligand transfected into CHO cells


Bioorg Med Chem Lett 14: 181-5 (2003)


BindingDB Entry DOI: 10.7270/Q24X58BV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50011516
PNG
(CHEMBL3262546)
Show SMILES CCC1C(=O)N(C2CCN(CC2)C2CCCc3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H30N2O/c1-2-20-22-11-5-6-12-24(22)27(25(20)28)19-14-16-26(17-15-19)23-13-7-9-18-8-3-4-10-21(18)23/h3-6,8,10-12,19-20,23H,2,7,9,13-17H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor transfected in CHO cell membranes after 60 mins


Bioorg Med Chem 22: 2508-16 (2014)


Article DOI: 10.1016/j.bmc.2014.02.047
BindingDB Entry DOI: 10.7270/Q2VH5QC2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50147740
PNG
(1-(1-Cyclooctyl-piperidin-4-yl)-1,3-dihydro-indol-...)
Show SMILES O=C1Cc2ccccc2N1C1CCN(CC1)C1CCCCCCC1
Show InChI InChI=1S/C21H30N2O/c24-21-16-17-8-6-7-11-20(17)23(21)19-12-14-22(15-13-19)18-9-4-2-1-3-5-10-18/h6-8,11,18-19H,1-5,9-10,12-16H2
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1.40n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H] N/OFQ from human nociceptin receptor transfected in CHO cells


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50147740
PNG
(1-(1-Cyclooctyl-piperidin-4-yl)-1,3-dihydro-indol-...)
Show SMILES O=C1Cc2ccccc2N1C1CCN(CC1)C1CCCCCCC1
Show InChI InChI=1S/C21H30N2O/c24-21-16-17-8-6-7-11-20(17)23(21)19-12-14-22(15-13-19)18-9-4-2-1-3-5-10-18/h6-8,11,18-19H,1-5,9-10,12-16H2
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1.40n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity against human Nociceptin receptor on CHO cell membranes by [3H]N/OFQ displacement.


J Med Chem 47: 2973-6 (2004)


Article DOI: 10.1021/jm034249d
BindingDB Entry DOI: 10.7270/Q2KW5FHV
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50147740
PNG
(1-(1-Cyclooctyl-piperidin-4-yl)-1,3-dihydro-indol-...)
Show SMILES O=C1Cc2ccccc2N1C1CCN(CC1)C1CCCCCCC1
Show InChI InChI=1S/C21H30N2O/c24-21-16-17-8-6-7-11-20(17)23(21)19-12-14-22(15-13-19)18-9-4-2-1-3-5-10-18/h6-8,11,18-19H,1-5,9-10,12-16H2
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1.40n/an/an/an/an/an/an/an/a



Astraea Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin/orphanin FQ from recombinant human nociceptin opioid receptor expressed in CHO cell membranes


J Med Chem 59: 7011-28 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01499
BindingDB Entry DOI: 10.7270/Q2057KDD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50011515
PNG
(CHEMBL3262545)
Show SMILES [H][C@]12CCCc3cccc([C@@H](CC1)N1CCC(CC1)N1C(=O)C(CC)c4ccccc14)c23 |r|
Show InChI InChI=1S/C28H34N2O/c1-2-22-23-10-3-4-12-26(23)30(28(22)31)21-15-17-29(18-16-21)25-14-13-20-8-5-7-19-9-6-11-24(25)27(19)20/h3-4,6,9-12,20-22,25H,2,5,7-8,13-18H2,1H3/t20-,22?,25+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor transfected in CHO cell membranes after 60 mins


Bioorg Med Chem 22: 2508-16 (2014)


Article DOI: 10.1016/j.bmc.2014.02.047
BindingDB Entry DOI: 10.7270/Q2VH5QC2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50514557
PNG
(CHEMBL4541337)
Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN2CCCC2)c2ccccc12 |r,wD:6.9,3.2,(24.25,-47.25,;23.44,-45.94,;24.17,-44.58,;21.89,-45.98,;21.09,-44.68,;19.54,-44.72,;18.81,-46.07,;19.63,-47.39,;21.16,-47.34,;17.27,-46.13,;16.55,-47.48,;15.01,-47.53,;14.19,-46.23,;14.92,-44.87,;16.46,-44.82,;12.66,-46.28,;11.71,-45.07,;10.26,-45.59,;8.99,-44.74,;7.61,-45.41,;6.25,-44.7,;5.15,-45.76,;5.82,-47.14,;7.34,-46.93,;10.32,-47.13,;9.22,-48.2,;9.59,-49.7,;11.08,-50.11,;12.17,-49.04,;11.8,-47.56,)|
Show InChI InChI=1S/C27H41N3/c1-21(2)22-9-11-24(12-10-22)29-17-13-25(14-18-29)30-20-23(19-28-15-5-6-16-28)26-7-3-4-8-27(26)30/h3-4,7-8,20-22,24-25H,5-6,9-19H2,1-2H3/t22-,24+
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1.5n/an/an/an/an/an/an/an/a



Astraea Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method


J Med Chem 63: 2688-2704 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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1.53n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 3 hrs


J Med Chem 53: 8187-91 (2010)


Article DOI: 10.1021/jm1006148
BindingDB Entry DOI: 10.7270/Q2MC9080
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50331016
PNG
(6-benzyl-3-(pyridin-3-yl)-6-azabicyclo[3.2.2]non-2...)
Show SMILES C(N1CC2CCC1CC(=C2)c1cccnc1)c1ccccc1 |c:9|
Show InChI InChI=1S/C20H22N2/c1-2-5-16(6-3-1)14-22-15-17-8-9-20(22)12-19(11-17)18-7-4-10-21-13-18/h1-7,10-11,13,17,20H,8-9,12,14-15H2
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1.95n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 3 hrs


J Med Chem 53: 8187-91 (2010)


Article DOI: 10.1021/jm1006148
BindingDB Entry DOI: 10.7270/Q2MC9080
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50011519
PNG
(CHEMBL3262549)
Show SMILES CCC1C(=O)N(C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C30H34N2O/c1-2-26-28-15-9-10-16-29(28)32(30(26)33)25-17-20-31(21-18-25)22-19-27(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-16,25-27H,2,17-22H2,1H3
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2n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor transfected in CHO cell membranes after 60 mins


Bioorg Med Chem 22: 2508-16 (2014)


Article DOI: 10.1016/j.bmc.2014.02.047
BindingDB Entry DOI: 10.7270/Q2VH5QC2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50533345
PNG
(CHEMBL4468676)
Show SMILES CCn1c2ccccc2n([C@@H]2CCN(C[C@H]2CO)C2CCCCCCC2)c1=O |r|
Show InChI InChI=1S/C23H35N3O2/c1-2-25-21-12-8-9-13-22(21)26(23(25)28)20-14-15-24(16-18(20)17-27)19-10-6-4-3-5-7-11-19/h8-9,12-13,18-20,27H,2-7,10-11,14-17H2,1H3/t18-,20+/m0/s1
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2n/an/an/an/an/an/an/an/a



Astraea Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from recombinant human nociceptin opioid receptor expressed in CHO cell membranes after 60 mins by scintillation count...


J Med Chem 59: 7011-28 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01499
BindingDB Entry DOI: 10.7270/Q2057KDD
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50011512
PNG
(CHEMBL3262542)
Show SMILES [H][C@]12CCCc3cccc([C@H](CC1)N1CCC(CC1)N1C(=O)Cc4ccccc14)c23 |r|
Show InChI InChI=1S/C26H30N2O/c29-25-17-20-5-1-2-10-23(20)28(25)21-13-15-27(16-14-21)24-12-11-19-7-3-6-18-8-4-9-22(24)26(18)19/h1-2,4-5,8-10,19,21,24H,3,6-7,11-17H2/t19-,24-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human nociceptin opioid receptor transfected in CHO cell membranes


Bioorg Med Chem 22: 2508-16 (2014)


Article DOI: 10.1016/j.bmc.2014.02.047
BindingDB Entry DOI: 10.7270/Q2VH5QC2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50514553
PNG
(CHEMBL4439811)
Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(\C=N\O)c2ccccc12 |r,wD:6.9,3.2,(48.18,-8.94,;47.37,-7.63,;48.1,-6.27,;45.82,-7.67,;45.02,-6.36,;43.47,-6.41,;42.74,-7.76,;43.56,-9.07,;45.09,-9.03,;41.21,-7.82,;40.48,-9.17,;38.95,-9.22,;38.13,-7.92,;38.85,-6.55,;40.39,-6.51,;36.59,-7.97,;35.65,-6.76,;34.2,-7.28,;32.93,-6.43,;32.98,-4.9,;31.76,-4.04,;34.26,-8.82,;33.15,-9.89,;33.52,-11.38,;35.01,-11.8,;36.11,-10.73,;35.74,-9.25,)|
Show InChI InChI=1S/C23H33N3O/c1-17(2)18-7-9-20(10-8-18)25-13-11-21(12-14-25)26-16-19(15-24-27)22-5-3-4-6-23(22)26/h3-6,15-18,20-21,27H,7-14H2,1-2H3/b24-15+/t18-,20+
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2.20n/an/an/an/an/an/an/an/a



Astraea Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method


J Med Chem 63: 2688-2704 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50514550
PNG
(CHEMBL4465668)
Show SMILES Cl.Cl.CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CCN)c2ccccc12 |r,wD:8.9,5.2,(39.44,-35.42,;43.65,-36.4,;46.03,-33.29,;45.22,-31.97,;45.95,-30.61,;43.68,-32.02,;42.87,-30.71,;41.32,-30.75,;40.6,-32.1,;41.41,-33.42,;42.95,-33.37,;39.06,-32.16,;38.33,-33.52,;36.8,-33.57,;35.98,-32.26,;36.7,-30.9,;38.25,-30.85,;34.44,-32.32,;33.5,-31.1,;32.05,-31.63,;30.78,-30.77,;30.88,-29.24,;29.61,-28.39,;32.11,-33.17,;31,-34.24,;31.38,-35.73,;32.86,-36.14,;33.96,-35.07,;33.59,-33.6,)|
Show InChI InChI=1S/C24H37N3.2ClH/c1-18(2)19-7-9-21(10-8-19)26-15-12-22(13-16-26)27-17-20(11-14-25)23-5-3-4-6-24(23)27;;/h3-6,17-19,21-22H,7-16,25H2,1-2H3;2*1H/t19-,21+;;
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2.30n/an/an/an/an/an/an/an/a



Astraea Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method


J Med Chem 63: 2688-2704 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50137567
PNG
(1-((2R,6S,9aR)-6-Cyclohexyl-octahydro-quinolizin-2...)
Show SMILES O=c1[nH]c2ccccc2n1[C@@H]1CCN2[C@H](CCC[C@H]2C2CCCCC2)C1
Show InChI InChI=1S/C22H31N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h4-5,10-11,16-18,20H,1-3,6-9,12-15H2,(H,23,26)/t17-,18-,20+/m1/s1
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2.30n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity for human opioid receptor kappa 1 using [3H]- U-69,593 as radioligand transfected into CHO cells


Bioorg Med Chem Lett 14: 181-5 (2003)


BindingDB Entry DOI: 10.7270/Q24X58BV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50514549
PNG
(CHEMBL4548515)
Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN)c2ccccc12 |r,wD:6.9,3.2,(34,-19.87,;35.3,-19.05,;36.67,-19.77,;35.24,-17.51,;36.54,-16.68,;36.48,-15.14,;35.12,-14.43,;33.81,-15.26,;33.88,-16.79,;35.04,-12.89,;33.68,-12.18,;33.61,-10.65,;34.9,-9.81,;36.27,-10.52,;36.34,-12.06,;34.83,-8.28,;36.03,-7.32,;35.49,-5.88,;36.33,-4.59,;37.86,-4.68,;33.95,-5.95,;32.87,-4.86,;31.38,-5.25,;30.98,-6.74,;32.07,-7.83,;33.54,-7.44,)|
Show InChI InChI=1S/C23H35N3/c1-17(2)18-7-9-20(10-8-18)25-13-11-21(12-14-25)26-16-19(15-24)22-5-3-4-6-23(22)26/h3-6,16-18,20-21H,7-15,24H2,1-2H3/t18-,20+
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2.40n/an/an/an/an/an/an/an/a



Astraea Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method


J Med Chem 63: 2688-2704 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50137566
PNG
(1-Ethyl-3-((2R,6S,9aR)-6-phenyl-octahydro-quinoliz...)
Show SMILES CCn1c2ccccc2n([C@@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O
Show InChI InChI=1S/C24H29N3O/c1-2-25-22-12-6-7-13-23(22)27(24(25)28)20-15-16-26-19(17-20)11-8-14-21(26)18-9-4-3-5-10-18/h3-7,9-10,12-13,19-21H,2,8,11,14-17H2,1H3/t19-,20-,21+/m1/s1
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2.5n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity for human opioid receptor mu 1 using [3H]- DAMGO as radioligand transfected into CHO cells


Bioorg Med Chem Lett 14: 181-5 (2003)


BindingDB Entry DOI: 10.7270/Q24X58BV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50147743
PNG
(1-(1-Bicyclo[3.3.1]non-9-yl-piperidin-4-yl)-1,3-di...)
Show SMILES O=C1Cc2ccccc2N1C1CCN(CC1)C1C2CCCC1CCC2 |THB:13:16:19.18.20:23.24.22|
Show InChI InChI=1S/C22H30N2O/c25-21-15-18-5-1-2-10-20(18)24(21)19-11-13-23(14-12-19)22-16-6-3-7-17(22)9-4-8-16/h1-2,5,10,16-17,19,22H,3-4,6-9,11-15H2
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2.70n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity against human Opioid receptor mu 1 on CHO cell membranes was determined by [3H]DAMGO displacement.


J Med Chem 47: 2973-6 (2004)


Article DOI: 10.1021/jm034249d
BindingDB Entry DOI: 10.7270/Q2KW5FHV
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50011515
PNG
(CHEMBL3262545)
Show SMILES [H][C@]12CCCc3cccc([C@@H](CC1)N1CCC(CC1)N1C(=O)C(CC)c4ccccc14)c23 |r|
Show InChI InChI=1S/C28H34N2O/c1-2-22-23-10-3-4-12-26(23)30(28(22)31)21-15-17-29(18-16-21)25-14-13-20-8-5-7-19-9-6-11-24(25)27(19)20/h3-4,6,9-12,20-22,25H,2,5,7-8,13-18H2,1H3/t20-,22?,25+/m0/s1
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3n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human nociceptin opioid receptor transfected in CHO cell membranes


Bioorg Med Chem 22: 2508-16 (2014)


Article DOI: 10.1016/j.bmc.2014.02.047
BindingDB Entry DOI: 10.7270/Q2VH5QC2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
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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3n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor transfected in CHO cell membranes after 60 mins


Bioorg Med Chem 22: 2508-16 (2014)


Article DOI: 10.1016/j.bmc.2014.02.047
BindingDB Entry DOI: 10.7270/Q2VH5QC2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50011514
PNG
(CHEMBL3262544)
Show SMILES [H][C@]12CCCc3cccc([C@H](CC1)N1CCC(CC1)N1C(=O)C(CC)c4ccccc14)c23 |r|
Show InChI InChI=1S/C28H34N2O/c1-2-22-23-10-3-4-12-26(23)30(28(22)31)21-15-17-29(18-16-21)25-14-13-20-8-5-7-19-9-6-11-24(25)27(19)20/h3-4,6,9-12,20-22,25H,2,5,7-8,13-18H2,1H3/t20-,22?,25-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human nociceptin opioid receptor transfected in CHO cell membranes


Bioorg Med Chem 22: 2508-16 (2014)


Article DOI: 10.1016/j.bmc.2014.02.047
BindingDB Entry DOI: 10.7270/Q2VH5QC2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50011513
PNG
(CHEMBL3262543)
Show SMILES [H][C@]12CCCc3cccc([C@@H](CC1)N1CCC(CC1)N1C(=O)Cc4ccccc14)c23 |r|
Show InChI InChI=1S/C26H30N2O/c29-25-17-20-5-1-2-10-23(20)28(25)21-13-15-27(16-14-21)24-12-11-19-7-3-6-18-8-4-9-22(24)26(18)19/h1-2,4-5,8-10,19,21,24H,3,6-7,11-17H2/t19-,24+/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human nociceptin opioid receptor transfected in CHO cell membranes


Bioorg Med Chem 22: 2508-16 (2014)


Article DOI: 10.1016/j.bmc.2014.02.047
BindingDB Entry DOI: 10.7270/Q2VH5QC2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50147745
PNG
(1-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-1,3-...)
Show SMILES CC(C)[C@H]1CC[C@@H](CC1)N1CCC(CC1)N1C(=O)Cc2ccccc12 |wU:3.2,wD:6.9,(24.92,-3.48,;24.12,-2.15,;24.85,-.8,;22.58,-2.2,;21.84,-3.55,;20.3,-3.58,;19.5,-2.27,;20.23,-.92,;21.77,-.87,;17.97,-2.31,;17.15,-.99,;15.61,-1.03,;14.89,-2.39,;15.7,-3.71,;17.22,-3.66,;13.35,-2.43,;12.41,-1.22,;12.84,.26,;10.96,-1.73,;11.01,-3.27,;9.9,-4.34,;10.27,-5.84,;11.74,-6.26,;12.86,-5.2,;12.49,-3.69,)|
Show InChI InChI=1S/C22H32N2O/c1-16(2)17-7-9-19(10-8-17)23-13-11-20(12-14-23)24-21-6-4-3-5-18(21)15-22(24)25/h3-6,16-17,19-20H,7-15H2,1-2H3/t17-,19-
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4n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H] N/OFQ from human nociceptin receptor transfected in CHO cells


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50147735
PNG
(1-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-1,3-...)
Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)N1C(=O)Cc2ccccc12 |wD:6.9,3.2,(24.86,-7.21,;24.05,-5.88,;24.8,-4.53,;22.51,-5.93,;21.72,-4.6,;20.17,-4.65,;19.43,-6,;20.25,-7.31,;21.78,-7.28,;17.91,-6.04,;17.1,-4.72,;15.55,-4.77,;14.83,-6.12,;15.63,-7.44,;17.17,-7.39,;13.29,-6.16,;12.34,-4.95,;12.78,-3.47,;10.9,-5.46,;10.94,-7,;9.85,-8.05,;10.21,-9.57,;11.69,-9.99,;12.8,-8.93,;12.43,-7.42,)|
Show InChI InChI=1S/C22H32N2O/c1-16(2)17-7-9-19(10-8-17)23-13-11-20(12-14-23)24-21-6-4-3-5-18(21)15-22(24)25/h3-6,16-17,19-20H,7-15H2,1-2H3/t17-,19+
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4n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity against human Nociceptin receptor on CHO cell membranes by [3H]N/OFQ displacement.


J Med Chem 47: 2973-6 (2004)


Article DOI: 10.1021/jm034249d
BindingDB Entry DOI: 10.7270/Q2KW5FHV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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4.20n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha7 nAChR in rat brain membranes after 2 hrs


J Med Chem 53: 8187-91 (2010)


Article DOI: 10.1021/jm1006148
BindingDB Entry DOI: 10.7270/Q2MC9080
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nociceptin receptor


(Homo sapiens (Human))
BDBM50533340
PNG
(CHEMBL4585935)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ncccn1 |TLB:0:1:8:4.5,THB:24:1:8:4.5|
Show InChI InChI=1S/C24H23Cl2N3O/c25-20-8-3-1-6-18(20)22(19-7-2-4-9-21(19)26)29-16-10-11-17(29)15-24(30,14-16)23-27-12-5-13-28-23/h1-9,12-13,16-17,22,30H,10-11,14-15H2
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4.60n/an/an/an/an/an/an/an/a



Astraea Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin/orphanin FQ from human nociceptin opioid receptor expressed in CHO cell membranes after 1 hr by microplate sc...


J Med Chem 59: 7011-28 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01499
BindingDB Entry DOI: 10.7270/Q2057KDD
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50147742
PNG
(1-[(R)-1-(Decahydro-naphthalen-2-yl)-piperidin-4-y...)
Show SMILES O=C1Cc2ccccc2N1C1CCN(CC1)C1CCC2CCCC[C@@H]2C1
Show InChI InChI=1S/C23H32N2O/c26-23-16-19-7-3-4-8-22(19)25(23)20-11-13-24(14-12-20)21-10-9-17-5-1-2-6-18(17)15-21/h3-4,7-8,17-18,20-21H,1-2,5-6,9-16H2/t17?,18-,21?/m1/s1
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4.70n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity against human Nociceptin receptor on CHO cell membranes by [3H]N/OFQ displacement.


J Med Chem 47: 2973-6 (2004)


Article DOI: 10.1021/jm034249d
BindingDB Entry DOI: 10.7270/Q2KW5FHV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50137565
PNG
(1-((2R,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)...)
Show SMILES O=c1[nH]c2ccccc2n1[C@@H]1CCN2[C@H](CCC[C@H]2c2ccccc2)C1
Show InChI InChI=1S/C22H25N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h1-5,7-8,10-11,17-18,20H,6,9,12-15H2,(H,23,26)/t17-,18-,20+/m1/s1
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5.20n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity for human opioid receptor mu 1 using [3H]- DAMGO as radioligand transfected into CHO cells


Bioorg Med Chem Lett 14: 181-5 (2003)


BindingDB Entry DOI: 10.7270/Q24X58BV
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434649
PNG
(CHEMBL2387196)
Show SMILES CCC1C(=O)N(C2CCN(CC2)[C@@H]2CC[C@@H](CC2)C(C)C)c2ccccc12 |r,wU:12.12,15.19,(29.25,-31.07,;27.74,-31.39,;27.27,-32.86,;28.18,-34.11,;29.72,-34.11,;27.27,-35.36,;27.75,-36.83,;26.71,-37.98,;27.18,-39.43,;28.69,-39.76,;29.72,-38.62,;29.25,-37.15,;29.16,-41.23,;28.13,-42.38,;28.6,-43.84,;30.11,-44.17,;31.15,-43.02,;30.68,-41.55,;30.58,-45.64,;29.55,-46.78,;32.09,-45.96,;25.79,-34.89,;24.46,-35.65,;23.13,-34.89,;23.13,-33.34,;24.46,-32.57,;25.79,-33.34,)|
Show InChI InChI=1S/C24H36N2O/c1-4-21-22-7-5-6-8-23(22)26(24(21)27)20-13-15-25(16-14-20)19-11-9-18(10-12-19)17(2)3/h5-8,17-21H,4,9-16H2,1-3H3/t18-,19+,21?
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5.20n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H] N/OFQ from human nociceptin receptor transfected in CHO cells


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50147750
PNG
(1-[1-(Decahydro-naphthalen-2-yl)-piperidin-4-yl]-1...)
Show SMILES O=C1Cc2ccccc2N1C1CCN(CC1)C1CCC2CCCCC2C1
Show InChI InChI=1S/C23H32N2O/c26-23-16-19-7-3-4-8-22(19)25(23)20-11-13-24(14-12-20)21-10-9-17-5-1-2-6-18(17)15-21/h3-4,7-8,17-18,20-21H,1-2,5-6,9-16H2
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5.60n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity against human Nociceptin receptor on CHO cell membranes by [3H]N/OFQ displacement.


J Med Chem 47: 2973-6 (2004)


Article DOI: 10.1021/jm034249d
BindingDB Entry DOI: 10.7270/Q2KW5FHV
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50137565
PNG
(1-((2R,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)...)
Show SMILES O=c1[nH]c2ccccc2n1[C@@H]1CCN2[C@H](CCC[C@H]2c2ccccc2)C1
Show InChI InChI=1S/C22H25N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h1-5,7-8,10-11,17-18,20H,6,9,12-15H2,(H,23,26)/t17-,18-,20+/m1/s1
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5.70n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity for human nociceptin (NOP) receptor using [3H]N/OFQ as radioligand transfected into CHO cells


Bioorg Med Chem Lett 14: 181-5 (2003)


BindingDB Entry DOI: 10.7270/Q24X58BV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50533339
PNG
(CHEMBL1907858)
Show SMILES [H][C@@]1(Cc2cccc3cccc1c23)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |r|
Show InChI InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)/t22-/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Astraea Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from human mu opioid receptor expressed in HEK293 cell membranes


J Med Chem 59: 7011-28 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01499
BindingDB Entry DOI: 10.7270/Q2057KDD
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50147749
PNG
(1-(1-Cyclooctylmethyl-piperidin-4-yl)-1,3-dihydro-...)
Show SMILES O=C1Cc2ccccc2N1C1CCN(CC2CCCCCCC2)CC1
Show InChI InChI=1S/C22H32N2O/c25-22-16-19-10-6-7-11-21(19)24(22)20-12-14-23(15-13-20)17-18-8-4-2-1-3-5-9-18/h6-7,10-11,18,20H,1-5,8-9,12-17H2
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6n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity against human Nociceptin receptor on CHO cell membranes by [3H]N/OFQ displacement.


J Med Chem 47: 2973-6 (2004)


Article DOI: 10.1021/jm034249d
BindingDB Entry DOI: 10.7270/Q2KW5FHV
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434645
PNG
(CHEMBL2387194)
Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)N1C(=O)C(C)c2ccccc12 |r,wU:6.9,3.2,(5.8,-45.06,;6.83,-43.93,;8.33,-44.25,;6.36,-42.46,;4.85,-42.14,;4.38,-40.67,;5.4,-39.52,;6.92,-39.84,;7.4,-41.32,;4.93,-38.06,;3.43,-37.73,;2.96,-36.27,;3.99,-35.13,;5.49,-35.45,;5.96,-36.92,;3.51,-33.67,;4.42,-32.42,;5.96,-32.41,;3.51,-31.16,;3.99,-29.7,;2.04,-31.64,;.71,-30.88,;-.63,-31.65,;-.62,-33.19,;.71,-33.96,;2.04,-33.19,)|
Show InChI InChI=1S/C23H34N2O/c1-16(2)18-8-10-19(11-9-18)24-14-12-20(13-15-24)25-22-7-5-4-6-21(22)17(3)23(25)26/h4-7,16-20H,8-15H2,1-3H3/t17?,18-,19+
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6.5n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H] N/OFQ from human nociceptin receptor transfected in CHO cells


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50147743
PNG
(1-(1-Bicyclo[3.3.1]non-9-yl-piperidin-4-yl)-1,3-di...)
Show SMILES O=C1Cc2ccccc2N1C1CCN(CC1)C1C2CCCC1CCC2 |THB:13:16:19.18.20:23.24.22|
Show InChI InChI=1S/C22H30N2O/c25-21-15-18-5-1-2-10-20(18)24(21)19-11-13-23(14-12-19)22-16-6-3-7-17(22)9-4-8-16/h1-2,5,10,16-17,19,22H,3-4,6-9,11-15H2
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7.5n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H] N/OFQ from human nociceptin receptor transfected in CHO cells


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50147743
PNG
(1-(1-Bicyclo[3.3.1]non-9-yl-piperidin-4-yl)-1,3-di...)
Show SMILES O=C1Cc2ccccc2N1C1CCN(CC1)C1C2CCCC1CCC2 |THB:13:16:19.18.20:23.24.22|
Show InChI InChI=1S/C22H30N2O/c25-21-15-18-5-1-2-10-20(18)24(21)19-11-13-23(14-12-19)22-16-6-3-7-17(22)9-4-8-16/h1-2,5,10,16-17,19,22H,3-4,6-9,11-15H2
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7.5n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity against human Nociceptin receptor on CHO cell membranes by [3H]N/OFQ displacement.


J Med Chem 47: 2973-6 (2004)


Article DOI: 10.1021/jm034249d
BindingDB Entry DOI: 10.7270/Q2KW5FHV
More data for this
Ligand-Target Pair
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