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PubMed code 14684324

Compile data set for download or QSAR
Found 46 hits of Enzyme Inhibition Constant Data   
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)

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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50137563
PNG
(1-Ethyl-3-((2S,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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18n/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)

More data for this
Ligand-Target Pair
Nociceptin 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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20n/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)

More data for this
Ligand-Target Pair
Kappa-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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23n/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)

More data for this
Ligand-Target Pair
Nociceptin 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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29n/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)

More data for this
Ligand-Target Pair
Mu-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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47n/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)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50137561
PNG
(1-((2S,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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48n/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)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50137568
PNG
(1-((2S,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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119n/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)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50137568
PNG
(1-((2S,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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189n/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)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50137568
PNG
(1-((2S,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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227n/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)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50137561
PNG
(1-((2S,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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271n/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)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50137563
PNG
(1-Ethyl-3-((2S,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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535n/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)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50137561
PNG
(1-((2S,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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786n/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)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50137563
PNG
(1-Ethyl-3-((2S,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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987n/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)

More data for this
Ligand-Target Pair
Delta-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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1.49E+3n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Delta-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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1.72E+3n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50137563
PNG
(1-Ethyl-3-((2S,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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1.84E+3n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Delta-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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2.08E+3n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50137561
PNG
(1-((2S,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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>1.00E+4n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50137568
PNG
(1-((2S,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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>1.00E+4n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50137562
PNG
(1-(1-Benzyl-piperidin-4-yl)-1,3-dihydro-benzoimida...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H21N3O/c23-19-20-17-8-4-5-9-18(17)22(19)16-10-12-21(13-11-16)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,20,23)
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n/an/a 200n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Ability to displace [125I]-Tyr14 at nociceptin (NOP) receptor


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

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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n/an/an/an/a 198n/an/an/an/a



SRI International

Curated by ChEMBL




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

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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n/an/an/an/a 65n/an/an/an/a



SRI International

Curated by ChEMBL




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

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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n/an/an/an/a 4.70n/an/an/an/a



SRI International

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM21842
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...)
Show SMILES [#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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n/an/an/an/a 4n/an/an/an/a



SRI International

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Kappa-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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n/an/an/an/a 210n/an/an/an/a



SRI International

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Mu-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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n/an/an/an/a>1.00E+4n/an/an/an/a



SRI International

Curated by ChEMBL




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

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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n/an/an/an/a 21n/an/an/an/a



SRI International

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50137561
PNG
(1-((2S,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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n/an/an/an/a>1.00E+4n/an/an/an/a



SRI International

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Nociceptin 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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n/an/an/an/a 165n/an/an/an/a



SRI International

Curated by ChEMBL




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

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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n/an/an/an/a 105n/an/an/an/a



SRI International

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50137568
PNG
(1-((2S,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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n/an/an/an/a>1.00E+4n/an/an/an/a



SRI International

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50137561
PNG
(1-((2S,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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n/an/an/an/a>1.00E+4n/an/an/an/a



SRI International

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50137563
PNG
(1-Ethyl-3-((2S,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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n/an/an/an/a>1.00E+4n/an/an/an/a



SRI International

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50137568
PNG
(1-((2S,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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n/an/an/an/a>1.00E+4n/an/an/an/a



SRI International

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50137563
PNG
(1-Ethyl-3-((2S,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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n/an/an/an/a>1.00E+4n/an/an/an/a



SRI International

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50137563
PNG
(1-Ethyl-3-((2S,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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n/an/an/an/a>1.00E+4n/an/an/an/a



SRI International

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50137568
PNG
(1-((2S,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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n/an/an/an/a>1.00E+4n/an/an/an/a



SRI International

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Nociceptin 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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n/an/an/an/a 678n/an/an/an/a



SRI International

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50137561
PNG
(1-((2S,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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n/an/an/an/a>1.00E+4n/an/an/an/a



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

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%