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Compile Data Set for Download or QSAR

Found 320 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 protein alpha-4/beta-2 subunit


(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 protein alpha-3/beta-4 subunit


(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))
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
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



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, 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
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
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(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 protein alpha-4/beta-2 subunit


(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))
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
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))
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


(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
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
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434640
PNG
(CHEMBL2387188)
Show SMILES CCC[C@H]1CC[C@H](CC1)N1CCC(CC1)N1C(=O)Cc2ccccc12 |r,wU:6.9,3.2,(42.58,-12.05,;41.54,-13.19,;40.04,-12.86,;39.57,-11.4,;38.06,-11.07,;37.59,-9.61,;38.63,-8.46,;40.14,-8.78,;40.61,-10.25,;38.16,-6.99,;36.65,-6.66,;36.18,-5.21,;37.22,-4.07,;38.72,-4.38,;39.19,-5.85,;36.74,-2.6,;37.65,-1.35,;39.18,-1.35,;36.74,-.1,;35.27,-.57,;33.94,.2,;32.61,-.58,;32.61,-2.12,;33.94,-2.89,;35.27,-2.12,)|
Show InChI InChI=1S/C22H32N2O/c1-2-5-17-8-10-19(11-9-17)23-14-12-20(13-15-23)24-21-7-4-3-6-18(21)16-22(24)25/h3-4,6-7,17,19-20H,2,5,8-16H2,1H3/t17-,19+
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7.60n/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
Mu-type opioid 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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8n/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
Mu-type opioid 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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8.20n/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))
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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8.60n/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))
BDBM50434648
PNG
(CHEMBL2387197)
Show SMILES CCC1C(=O)N(C2CCN(CC2)C2CCCCCCC2)c2ccccc12
Show InChI InChI=1S/C23H34N2O/c1-2-20-21-12-8-9-13-22(21)25(23(20)26)19-14-16-24(17-15-19)18-10-6-4-3-5-7-11-18/h8-9,12-13,18-20H,2-7,10-11,14-17H2,1H3
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8.70n/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))
BDBM50434644
PNG
(CHEMBL2387191)
Show SMILES CC(C1CCCCC1)N1CCC(CC1)N1C(=O)Cc2ccccc12
Show InChI InChI=1S/C21H30N2O/c1-16(17-7-3-2-4-8-17)22-13-11-19(12-14-22)23-20-10-6-5-9-18(20)15-21(23)24/h5-6,9-10,16-17,19H,2-4,7-8,11-15H2,1H3
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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 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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50011517
PNG
(CHEMBL3262547)
Show SMILES CCC1C(=O)N(C2CCN(CC2)C2CCc3ccccc3C2)c2ccccc12
Show InChI InChI=1S/C25H30N2O/c1-2-22-23-9-5-6-10-24(23)27(25(22)28)20-13-15-26(16-14-20)21-12-11-18-7-3-4-8-19(18)17-21/h3-10,20-22H,2,11-17H2,1H3
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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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50011521
PNG
(CHEMBL3262551)
Show SMILES CCC1C(=O)N(C2CCN(CCCc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C24H30N2O/c1-2-21-22-12-6-7-13-23(22)26(24(21)27)20-14-17-25(18-15-20)16-8-11-19-9-4-3-5-10-19/h3-7,9-10,12-13,20-21H,2,8,11,14-18H2,1H3
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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
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50331014
PNG
(9-methyl-3-(pyridin-3-yl)-9-azabicyclo[3.3.1]non-2...)
Show SMILES CN1C2CCCC1C=C(C2)c1cccnc1 |c:8|
Show InChI InChI=1S/C14H18N2/c1-16-13-5-2-6-14(16)9-12(8-13)11-4-3-7-15-10-11/h3-4,7-8,10,13-14H,2,5-6,9H2,1H3
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10.4n/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))
BDBM50434646
PNG
(CHEMBL2387193)
Show SMILES O=C1Cc2ccccc2N1C1CCN(CC1)C1CC[C@H]2CCCc3cccc1c23 |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?/m1/s1
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11n/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))
BDBM50011518
PNG
(CHEMBL3262548)
Show SMILES CCC1C(=O)N(C2CCN(Cc3cccc4[nH]ccc34)CC2)c2ccccc12
Show InChI InChI=1S/C24H27N3O/c1-2-19-21-7-3-4-9-23(21)27(24(19)28)18-11-14-26(15-12-18)16-17-6-5-8-22-20(17)10-13-25-22/h3-10,13,18-19,25H,2,11-12,14-16H2,1H3
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11n/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))
BDBM50011518
PNG
(CHEMBL3262548)
Show SMILES CCC1C(=O)N(C2CCN(Cc3cccc4[nH]ccc34)CC2)c2ccccc12
Show InChI InChI=1S/C24H27N3O/c1-2-19-21-7-3-4-9-23(21)27(24(19)28)18-11-14-26(15-12-18)16-17-6-5-8-22-20(17)10-13-25-22/h3-10,13,18-19,25H,2,11-12,14-16H2,1H3
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11n/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
Mu-type opioid 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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11n/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
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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11.1n/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))
BDBM50147741
PNG
(1-[1-(1,2,3,4-Tetrahydro-naphthalen-1-yl)-piperidi...)
Show SMILES O=C1Cc2ccccc2N1C1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C23H26N2O/c26-23-16-18-7-2-4-10-21(18)25(23)19-12-14-24(15-13-19)22-11-5-8-17-6-1-3-9-20(17)22/h1-4,6-7,9-10,19,22H,5,8,11-16H2
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12n/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))
BDBM50011517
PNG
(CHEMBL3262547)
Show SMILES CCC1C(=O)N(C2CCN(CC2)C2CCc3ccccc3C2)c2ccccc12
Show InChI InChI=1S/C25H30N2O/c1-2-22-23-9-5-6-10-24(23)27(25(22)28)20-13-15-26(16-14-20)21-12-11-18-7-3-4-8-19(18)17-21/h3-10,20-22H,2,11-17H2,1H3
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12n/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
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