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PubMed code 14980696

Compile data set for download or QSAR
Found 47 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))
BDBM50083230
PNG
(1-((3R,4R)-1-Cyclooctylmethyl-3-hydroxymethyl-pipe...)
Show SMILES CCn1c2ccccc2n([C@@H]2CCN(CC3CCCCCCC3)C[C@H]2CO)c1=O
Show InChI InChI=1S/C24H37N3O2/c1-2-26-22-12-8-9-13-23(22)27(24(26)29)21-14-15-25(17-20(21)18-28)16-19-10-6-4-3-5-7-11-19/h8-9,12-13,19-21,28H,2-7,10-11,14-18H2,1H3/t20-,21+/m0/s1
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PubMed
2.30n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards Nociceptin/orphanin FQ (N/OFQ) receptor from recombinant HEK293 cell membranes was determined using binding assay


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50140748
PNG
((3aR,7aR)-1-(1-Cyclooctylmethyl-piperidin-4-yl)-3-...)
Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC3CCCCCCC3)CC2)C1=O
Show InChI InChI=1S/C23H41N3O/c1-2-25-21-12-8-9-13-22(21)26(23(25)27)20-14-16-24(17-15-20)18-19-10-6-4-3-5-7-11-19/h19-22H,2-18H2,1H3/t21-,22-/m1/s1
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11n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards Nociceptin/orphanin FQ (N/OFQ) receptor from recombinant HEK293 cell membranes was determined using binding assay


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50140741
PNG
((3aR,7aR)-1-(1-Cyclooctylmethyl-piperidin-4-yl)-oc...)
Show SMILES O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC2CCCCCCC2)CC1
Show InChI InChI=1S/C21H37N3O/c25-21-22-19-10-6-7-11-20(19)24(21)18-12-14-23(15-13-18)16-17-8-4-2-1-3-5-9-17/h17-20H,1-16H2,(H,22,25)/t19-,20-/m1/s1
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16n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards Nociceptin/orphanin FQ (N/OFQ) receptor from recombinant HEK293 cell membranes was determined using binding assay


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50140738
PNG
((3aR,7aR)-1-[1-(3,3-Diphenyl-propyl)-piperidin-4-y...)
Show SMILES O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C27H35N3O/c31-27-28-25-13-7-8-14-26(25)30(27)23-15-18-29(19-16-23)20-17-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,23-26H,7-8,13-20H2,(H,28,31)/t25-,26-/m1/s1
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27n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu 1 using [3H]- diprenophine as radioligand from membrane preparations of recombinant HEK293 cells


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50140735
PNG
((3aR,7aR)-1-[1-(4-Isopropyl-cyclohexyl)-piperidin-...)
Show SMILES CC(C)C1CCC(CC1)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2NC1=O |wU:21.24,wD:16.17,(-2.39,-9.62,;-1.32,-8.52,;.17,-8.9,;-1.72,-7.04,;-.64,-5.94,;-1.06,-4.43,;-2.56,-4.06,;-3.65,-5.17,;-3.23,-6.66,;-2.98,-2.57,;-1.9,-1.49,;-2.32,-.01,;-3.79,.39,;-4.88,-.71,;-4.47,-2.17,;-4.21,1.86,;-5.66,2.34,;-6.98,1.58,;-8.33,2.34,;-8.33,3.88,;-6.98,4.65,;-5.66,3.88,;-4.21,4.35,;-3.3,3.1,;-1.76,3.09,)|
Show InChI InChI=1S/C21H37N3O/c1-15(2)16-7-9-17(10-8-16)23-13-11-18(12-14-23)24-20-6-4-3-5-19(20)22-21(24)25/h15-20H,3-14H2,1-2H3,(H,22,25)/t16?,17?,19-,20-/m1/s1
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39n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards Nociceptin/orphanin FQ (N/OFQ) receptor from recombinant HEK293 cell membranes was determined using binding assay


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50404325
PNG
(CHEMBL2113262)
Show SMILES O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC1)C1CCC2CCCCC2C1
Show InChI InChI=1S/C22H37N3O/c26-22-23-20-7-3-4-8-21(20)25(22)18-11-13-24(14-12-18)19-10-9-16-5-1-2-6-17(16)15-19/h16-21H,1-15H2,(H,23,26)/t16?,17?,19?,20-,21-/m1/s1
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51n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards Nociceptin/orphanin FQ (N/OFQ) receptor from recombinant HEK293 cell membranes was determined using binding assay


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50140731
PNG
((3aR,7aR)-1-Ethyl-3-[1-(4-isopropyl-cyclohexyl)-pi...)
Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC2)C2CCC(CC2)C(C)C)C1=O |wU:3.2,wD:8.9,(-1.76,5.37,;-3.26,5.05,;-3.74,3.6,;-5.19,3.12,;-6.52,3.89,;-7.86,3.12,;-7.86,1.58,;-6.52,.81,;-5.19,1.58,;-3.74,1.11,;-3.33,-.37,;-4.42,-1.47,;-4.01,-2.93,;-2.51,-3.33,;-1.44,-2.24,;-1.86,-.75,;-2.1,-4.82,;-.6,-5.19,;-.18,-6.69,;-1.26,-7.8,;-2.76,-7.41,;-3.18,-5.92,;-.85,-9.28,;.64,-9.66,;-1.92,-10.37,;-2.83,2.34,;-1.3,2.34,)|
Show InChI InChI=1S/C23H41N3O/c1-4-25-21-7-5-6-8-22(21)26(23(25)27)20-13-15-24(16-14-20)19-11-9-18(10-12-19)17(2)3/h17-22H,4-16H2,1-3H3/t18?,19?,21-,22-/m1/s1
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89n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards Nociceptin/orphanin FQ (N/OFQ) receptor from recombinant HEK293 cell membranes was determined using binding assay


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50140743
PNG
((3aR,7aR)-1-(1-Cyclooctyl-piperidin-4-yl)-3-ethyl-...)
Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC2)C2CCCCCCC2)C1=O
Show InChI InChI=1S/C22H39N3O/c1-2-24-20-12-8-9-13-21(20)25(22(24)26)19-14-16-23(17-15-19)18-10-6-4-3-5-7-11-18/h18-21H,2-17H2,1H3/t20-,21-/m1/s1
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111n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards Nociceptin/orphanin FQ (N/OFQ) receptor from recombinant HEK293 cell membranes was determined using binding assay


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50140733
PNG
((3aR,7aR)-1-(1-Cyclooctyl-piperidin-4-yl)-octahydr...)
Show SMILES O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC1)C1CCCCCCC1
Show InChI InChI=1S/C20H35N3O/c24-20-21-18-10-6-7-11-19(18)23(20)17-12-14-22(15-13-17)16-8-4-2-1-3-5-9-16/h16-19H,1-15H2,(H,21,24)/t18-,19-/m1/s1
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125n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards Nociceptin/orphanin FQ (N/OFQ) receptor from recombinant HEK293 cell membranes was determined using binding assay


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50404326
PNG
(CHEMBL2113273)
Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC2)C2CCC3CCCCC3C2)C1=O
Show InChI InChI=1S/C24H41N3O/c1-2-26-22-9-5-6-10-23(22)27(24(26)28)20-13-15-25(16-14-20)21-12-11-18-7-3-4-8-19(18)17-21/h18-23H,2-17H2,1H3/t18?,19?,21?,22-,23-/m1/s1
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184n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards Nociceptin/orphanin FQ (N/OFQ) receptor from recombinant HEK293 cell membranes was determined using binding assay


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50140744
PNG
((3aR,7aR)-1-Ethyl-3-(1-naphthalen-2-ylmethyl-piper...)
Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(Cc3ccc4ccccc4c3)CC2)C1=O
Show InChI InChI=1S/C25H33N3O/c1-2-27-23-9-5-6-10-24(23)28(25(27)29)22-13-15-26(16-14-22)18-19-11-12-20-7-3-4-8-21(20)17-19/h3-4,7-8,11-12,17,22-24H,2,5-6,9-10,13-16,18H2,1H3/t23-,24-/m1/s1
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199n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu 1 using [3H]- diprenophine as radioligand from membrane preparations of recombinant HEK293 cells


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50404325
PNG
(CHEMBL2113262)
Show SMILES O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC1)C1CCC2CCCCC2C1
Show InChI InChI=1S/C22H37N3O/c26-22-23-20-7-3-4-8-21(20)25(22)18-11-13-24(14-12-18)19-10-9-16-5-1-2-6-17(16)15-19/h16-21H,1-15H2,(H,23,26)/t16?,17?,19?,20-,21-/m1/s1
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208n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu 1 using [3H]- diprenophine as radioligand from membrane preparations of recombinant HEK293 cells


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50140747
PNG
((3aR,7aR)-1-[1-(3,3-Diphenyl-propyl)-piperidin-4-y...)
Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)C1=O
Show InChI InChI=1S/C29H39N3O/c1-2-31-27-15-9-10-16-28(27)32(29(31)33)25-17-20-30(21-18-25)22-19-26(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-8,11-14,25-28H,2,9-10,15-22H2,1H3/t27-,28-/m1/s1
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267n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu 1 using [3H]- diprenophine as radioligand from membrane preparations of recombinant HEK293 cells


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50404326
PNG
(CHEMBL2113273)
Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC2)C2CCC3CCCCC3C2)C1=O
Show InChI InChI=1S/C24H41N3O/c1-2-26-22-9-5-6-10-23(22)27(24(26)28)20-13-15-25(16-14-20)21-12-11-18-7-3-4-8-19(18)17-21/h18-23H,2-17H2,1H3/t18?,19?,21?,22-,23-/m1/s1
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279n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu 1 using [3H]- diprenophine as radioligand from membrane preparations of recombinant HEK293 cells


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50140742
PNG
((3aR,7aR)-1-[1-(1,4-Dimethyl-pentyl)-piperidin-4-y...)
Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC2)C(C)CCC(C)C)C1=O
Show InChI InChI=1S/C21H39N3O/c1-5-23-19-8-6-7-9-20(19)24(21(23)25)18-12-14-22(15-13-18)17(4)11-10-16(2)3/h16-20H,5-15H2,1-4H3/t17?,19-,20-/m1/s1
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395n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu 1 using [3H]- diprenophine as radioligand from membrane preparations of recombinant HEK293 cells


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50140742
PNG
((3aR,7aR)-1-[1-(1,4-Dimethyl-pentyl)-piperidin-4-y...)
Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC2)C(C)CCC(C)C)C1=O
Show InChI InChI=1S/C21H39N3O/c1-5-23-19-8-6-7-9-20(19)24(21(23)25)18-12-14-22(15-13-18)17(4)11-10-16(2)3/h16-20H,5-15H2,1-4H3/t17?,19-,20-/m1/s1
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410n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards Nociceptin/orphanin FQ (N/OFQ) receptor from recombinant HEK293 cell membranes was determined using binding assay


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50140734
PNG
((3aR,7aR)-1-[1-(1,4-Dimethyl-pentyl)-piperidin-4-y...)
Show SMILES CC(C)CCC(C)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2NC1=O
Show InChI InChI=1S/C19H35N3O/c1-14(2)8-9-15(3)21-12-10-16(11-13-21)22-18-7-5-4-6-17(18)20-19(22)23/h14-18H,4-13H2,1-3H3,(H,20,23)/t15?,17-,18-/m1/s1
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414n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards Nociceptin/orphanin FQ (N/OFQ) receptor from recombinant HEK293 cell membranes was determined using binding assay


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50140731
PNG
((3aR,7aR)-1-Ethyl-3-[1-(4-isopropyl-cyclohexyl)-pi...)
Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC2)C2CCC(CC2)C(C)C)C1=O |wU:3.2,wD:8.9,(-1.76,5.37,;-3.26,5.05,;-3.74,3.6,;-5.19,3.12,;-6.52,3.89,;-7.86,3.12,;-7.86,1.58,;-6.52,.81,;-5.19,1.58,;-3.74,1.11,;-3.33,-.37,;-4.42,-1.47,;-4.01,-2.93,;-2.51,-3.33,;-1.44,-2.24,;-1.86,-.75,;-2.1,-4.82,;-.6,-5.19,;-.18,-6.69,;-1.26,-7.8,;-2.76,-7.41,;-3.18,-5.92,;-.85,-9.28,;.64,-9.66,;-1.92,-10.37,;-2.83,2.34,;-1.3,2.34,)|
Show InChI InChI=1S/C23H41N3O/c1-4-25-21-7-5-6-8-22(21)26(23(25)27)20-13-15-24(16-14-20)19-11-9-18(10-12-19)17(2)3/h17-22H,4-16H2,1-3H3/t18?,19?,21-,22-/m1/s1
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421n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu 1 using [3H]- diprenophine as radioligand from membrane preparations of recombinant HEK293 cells


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50140734
PNG
((3aR,7aR)-1-[1-(1,4-Dimethyl-pentyl)-piperidin-4-y...)
Show SMILES CC(C)CCC(C)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2NC1=O
Show InChI InChI=1S/C19H35N3O/c1-14(2)8-9-15(3)21-12-10-16(11-13-21)22-18-7-5-4-6-17(18)20-19(22)23/h14-18H,4-13H2,1-3H3,(H,20,23)/t15?,17-,18-/m1/s1
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426n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu 1 using [3H]- diprenophine as radioligand from membrane preparations of recombinant HEK293 cells


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50140746
PNG
((3aR,7aR)-1-[1-(4-Propyl-cyclohexyl)-piperidin-4-y...)
Show SMILES CCCC1CCC(CC1)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2NC1=O |wU:21.24,wD:16.17,(-1.19,-11.31,;-1.6,-9.82,;-.53,-8.73,;-.93,-7.25,;.15,-6.15,;-.27,-4.65,;-1.77,-4.28,;-2.85,-5.38,;-2.43,-6.87,;-2.19,-2.79,;-3.67,-2.39,;-4.08,-.93,;-3,.16,;-1.53,-.22,;-1.11,-1.71,;-3.41,1.64,;-4.86,2.12,;-6.19,1.35,;-7.53,2.12,;-7.53,3.65,;-6.19,4.42,;-4.86,3.65,;-3.41,4.13,;-2.5,2.88,;-.97,2.88,)|
Show InChI InChI=1S/C21H37N3O/c1-2-5-16-8-10-17(11-9-16)23-14-12-18(13-15-23)24-20-7-4-3-6-19(20)22-21(24)25/h16-20H,2-15H2,1H3,(H,22,25)/t16?,17?,19-,20-/m1/s1
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435n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu 1 using [3H]- diprenophine as radioligand from membrane preparations of recombinant HEK293 cells


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50140738
PNG
((3aR,7aR)-1-[1-(3,3-Diphenyl-propyl)-piperidin-4-y...)
Show SMILES O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C27H35N3O/c31-27-28-25-13-7-8-14-26(25)30(27)23-15-18-29(19-16-23)20-17-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,23-26H,7-8,13-20H2,(H,28,31)/t25-,26-/m1/s1
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437n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards Nociceptin/orphanin FQ (N/OFQ) receptor from recombinant HEK293 cell membranes was determined using binding assay


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50140748
PNG
((3aR,7aR)-1-(1-Cyclooctylmethyl-piperidin-4-yl)-3-...)
Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC3CCCCCCC3)CC2)C1=O
Show InChI InChI=1S/C23H41N3O/c1-2-25-21-12-8-9-13-22(21)26(23(25)27)20-14-16-24(17-15-20)18-19-10-6-4-3-5-7-11-19/h19-22H,2-18H2,1H3/t21-,22-/m1/s1
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448n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu 1 using [3H]- diprenophine as radioligand from membrane preparations of recombinant HEK293 cells


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50140746
PNG
((3aR,7aR)-1-[1-(4-Propyl-cyclohexyl)-piperidin-4-y...)
Show SMILES CCCC1CCC(CC1)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2NC1=O |wU:21.24,wD:16.17,(-1.19,-11.31,;-1.6,-9.82,;-.53,-8.73,;-.93,-7.25,;.15,-6.15,;-.27,-4.65,;-1.77,-4.28,;-2.85,-5.38,;-2.43,-6.87,;-2.19,-2.79,;-3.67,-2.39,;-4.08,-.93,;-3,.16,;-1.53,-.22,;-1.11,-1.71,;-3.41,1.64,;-4.86,2.12,;-6.19,1.35,;-7.53,2.12,;-7.53,3.65,;-6.19,4.42,;-4.86,3.65,;-3.41,4.13,;-2.5,2.88,;-.97,2.88,)|
Show InChI InChI=1S/C21H37N3O/c1-2-5-16-8-10-17(11-9-16)23-14-12-18(13-15-23)24-20-7-4-3-6-19(20)22-21(24)25/h16-20H,2-15H2,1H3,(H,22,25)/t16?,17?,19-,20-/m1/s1
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634n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards Nociceptin/orphanin FQ (N/OFQ) receptor from recombinant HEK293 cell membranes was determined using binding assay


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50140737
PNG
((3aR,7aR)-1-(1-Benzyl-piperidin-4-yl)-3-ethyl-octa...)
Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1S/C21H31N3O/c1-2-23-19-10-6-7-11-20(19)24(21(23)25)18-12-14-22(15-13-18)16-17-8-4-3-5-9-17/h3-5,8-9,18-20H,2,6-7,10-16H2,1H3/t19-,20-/m1/s1
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692n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards Nociceptin/orphanin FQ (N/OFQ) receptor from recombinant HEK293 cell membranes was determined using binding assay


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50140737
PNG
((3aR,7aR)-1-(1-Benzyl-piperidin-4-yl)-3-ethyl-octa...)
Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1S/C21H31N3O/c1-2-23-19-10-6-7-11-20(19)24(21(23)25)18-12-14-22(15-13-18)16-17-8-4-3-5-9-17/h3-5,8-9,18-20H,2,6-7,10-16H2,1H3/t19-,20-/m1/s1
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716n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu 1 using [3H]- diprenophine as radioligand from membrane preparations of recombinant HEK293 cells


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50140744
PNG
((3aR,7aR)-1-Ethyl-3-(1-naphthalen-2-ylmethyl-piper...)
Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(Cc3ccc4ccccc4c3)CC2)C1=O
Show InChI InChI=1S/C25H33N3O/c1-2-27-23-9-5-6-10-24(23)28(25(27)29)22-13-15-26(16-14-22)18-19-11-12-20-7-3-4-8-21(20)17-19/h3-4,7-8,11-12,17,22-24H,2,5-6,9-10,13-16,18H2,1H3/t23-,24-/m1/s1
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824n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards Nociceptin/orphanin FQ (N/OFQ) receptor from recombinant HEK293 cell membranes was determined using binding assay


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50140743
PNG
((3aR,7aR)-1-(1-Cyclooctyl-piperidin-4-yl)-3-ethyl-...)
Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC2)C2CCCCCCC2)C1=O
Show InChI InChI=1S/C22H39N3O/c1-2-24-20-12-8-9-13-21(20)25(22(24)26)19-14-16-23(17-15-19)18-10-6-4-3-5-7-11-18/h18-21H,2-17H2,1H3/t20-,21-/m1/s1
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909n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu 1 using [3H]- diprenophine as radioligand from membrane preparations of recombinant HEK293 cells


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50140735
PNG
((3aR,7aR)-1-[1-(4-Isopropyl-cyclohexyl)-piperidin-...)
Show SMILES CC(C)C1CCC(CC1)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2NC1=O |wU:21.24,wD:16.17,(-2.39,-9.62,;-1.32,-8.52,;.17,-8.9,;-1.72,-7.04,;-.64,-5.94,;-1.06,-4.43,;-2.56,-4.06,;-3.65,-5.17,;-3.23,-6.66,;-2.98,-2.57,;-1.9,-1.49,;-2.32,-.01,;-3.79,.39,;-4.88,-.71,;-4.47,-2.17,;-4.21,1.86,;-5.66,2.34,;-6.98,1.58,;-8.33,2.34,;-8.33,3.88,;-6.98,4.65,;-5.66,3.88,;-4.21,4.35,;-3.3,3.1,;-1.76,3.09,)|
Show InChI InChI=1S/C21H37N3O/c1-15(2)16-7-9-17(10-8-16)23-13-11-18(12-14-23)24-20-6-4-3-5-19(20)22-21(24)25/h15-20H,3-14H2,1-2H3,(H,22,25)/t16?,17?,19-,20-/m1/s1
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959n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu 1 using [3H]- diprenophine as radioligand from membrane preparations of recombinant HEK293 cells


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50140740
PNG
((3aR,7aR)-1-(1-Benzyl-piperidin-4-yl)-octahydro-be...)
Show SMILES O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H27N3O/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/h1-3,6-7,16-18H,4-5,8-14H2,(H,20,23)/t17-,18-/m1/s1
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1.05E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards Nociceptin/orphanin FQ (N/OFQ) receptor from recombinant HEK293 cell membranes was determined using binding assay


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50140741
PNG
((3aR,7aR)-1-(1-Cyclooctylmethyl-piperidin-4-yl)-oc...)
Show SMILES O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC2CCCCCCC2)CC1
Show InChI InChI=1S/C21H37N3O/c25-21-22-19-10-6-7-11-20(19)24(21)18-12-14-23(15-13-18)16-17-8-4-2-1-3-5-9-17/h17-20H,1-16H2,(H,22,25)/t19-,20-/m1/s1
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1.07E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu 1 using [3H]- diprenophine as radioligand from membrane preparations of recombinant HEK293 cells


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50140739
PNG
((3aR,7aR)-1-(1-Naphthalen-2-ylmethyl-piperidin-4-y...)
Show SMILES O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(Cc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C23H29N3O/c27-23-24-21-7-3-4-8-22(21)26(23)20-11-13-25(14-12-20)16-17-9-10-18-5-1-2-6-19(18)15-17/h1-2,5-6,9-10,15,20-22H,3-4,7-8,11-14,16H2,(H,24,27)/t21-,22-/m1/s1
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1.24E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu 1 using [3H]- diprenophine as radioligand from membrane preparations of recombinant HEK293 cells


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50140745
PNG
((3aR,7aR)-1-Ethyl-3-[1-(4-propyl-cyclohexyl)-piper...)
Show SMILES CCCC1CCC(CC1)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2N(CC)C1=O |wU:21.24,wD:16.17,(.75,-13.1,;.33,-11.62,;1.41,-10.51,;1,-9.03,;-.5,-8.65,;-.92,-7.16,;.16,-6.04,;1.66,-6.42,;2.08,-7.93,;-.26,-4.55,;-1.75,-4.16,;-2.16,-2.69,;-1.07,-1.59,;.4,-1.99,;.82,-3.47,;-1.48,-.12,;-2.94,.37,;-4.27,-.4,;-5.61,.37,;-5.61,1.9,;-4.27,2.67,;-2.94,1.9,;-1.48,2.37,;-1,3.84,;.5,4.15,;-.57,1.12,;.96,1.11,)|
Show InChI InChI=1S/C23H41N3O/c1-3-7-18-10-12-19(13-11-18)24-16-14-20(15-17-24)26-22-9-6-5-8-21(22)25(4-2)23(26)27/h18-22H,3-17H2,1-2H3/t18?,19?,21-,22-/m1/s1
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1.24E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards Nociceptin/orphanin FQ (N/OFQ) receptor from recombinant HEK293 cell membranes was determined using binding assay


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50140739
PNG
((3aR,7aR)-1-(1-Naphthalen-2-ylmethyl-piperidin-4-y...)
Show SMILES O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(Cc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C23H29N3O/c27-23-24-21-7-3-4-8-22(21)26(23)20-11-13-25(14-12-20)16-17-9-10-18-5-1-2-6-19(18)15-17/h1-2,5-6,9-10,15,20-22H,3-4,7-8,11-14,16H2,(H,24,27)/t21-,22-/m1/s1
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1.26E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards Nociceptin/orphanin FQ (N/OFQ) receptor from recombinant HEK293 cell membranes was determined using binding assay


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50404325
PNG
(CHEMBL2113262)
Show SMILES O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC1)C1CCC2CCCCC2C1
Show InChI InChI=1S/C22H37N3O/c26-22-23-20-7-3-4-8-21(20)25(22)18-11-13-24(14-12-18)19-10-9-16-5-1-2-6-17(16)15-19/h16-21H,1-15H2,(H,23,26)/t16?,17?,19?,20-,21-/m1/s1
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1.39E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Tested for the opioid receptor kappa 1 binding affinity using membrane preparations from recombinant HEK293 cells with [3H]U-69593 radioligand


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50140733
PNG
((3aR,7aR)-1-(1-Cyclooctyl-piperidin-4-yl)-octahydr...)
Show SMILES O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC1)C1CCCCCCC1
Show InChI InChI=1S/C20H35N3O/c24-20-21-18-10-6-7-11-19(18)23(20)17-12-14-22(15-13-17)16-8-4-2-1-3-5-9-16/h16-19H,1-15H2,(H,21,24)/t18-,19-/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu 1 using [3H]- diprenophine as radioligand from membrane preparations of recombinant HEK293 cells


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50140741
PNG
((3aR,7aR)-1-(1-Cyclooctylmethyl-piperidin-4-yl)-oc...)
Show SMILES O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC2CCCCCCC2)CC1
Show InChI InChI=1S/C21H37N3O/c25-21-22-19-10-6-7-11-20(19)24(21)18-12-14-23(15-13-18)16-17-8-4-2-1-3-5-9-17/h17-20H,1-16H2,(H,22,25)/t19-,20-/m1/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Tested for the opioid receptor kappa 1 binding affinity using membrane preparations from recombinant HEK293 cells with [3H]U-69593 radioligand


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50140745
PNG
((3aR,7aR)-1-Ethyl-3-[1-(4-propyl-cyclohexyl)-piper...)
Show SMILES CCCC1CCC(CC1)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2N(CC)C1=O |wU:21.24,wD:16.17,(.75,-13.1,;.33,-11.62,;1.41,-10.51,;1,-9.03,;-.5,-8.65,;-.92,-7.16,;.16,-6.04,;1.66,-6.42,;2.08,-7.93,;-.26,-4.55,;-1.75,-4.16,;-2.16,-2.69,;-1.07,-1.59,;.4,-1.99,;.82,-3.47,;-1.48,-.12,;-2.94,.37,;-4.27,-.4,;-5.61,.37,;-5.61,1.9,;-4.27,2.67,;-2.94,1.9,;-1.48,2.37,;-1,3.84,;.5,4.15,;-.57,1.12,;.96,1.11,)|
Show InChI InChI=1S/C23H41N3O/c1-3-7-18-10-12-19(13-11-18)24-16-14-20(15-17-24)26-22-9-6-5-8-21(22)25(4-2)23(26)27/h18-22H,3-17H2,1-2H3/t18?,19?,21-,22-/m1/s1
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2.17E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor mu 1 using [3H]- diprenophine as radioligand from membrane preparations of recombinant HEK293 cells


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50140747
PNG
((3aR,7aR)-1-[1-(3,3-Diphenyl-propyl)-piperidin-4-y...)
Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)C1=O
Show InChI InChI=1S/C29H39N3O/c1-2-31-27-15-9-10-16-28(27)32(29(31)33)25-17-20-30(21-18-25)22-19-26(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-8,11-14,25-28H,2,9-10,15-22H2,1H3/t27-,28-/m1/s1
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4.36E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity towards Nociceptin/orphanin FQ (N/OFQ) receptor from recombinant HEK293 cell membranes was determined using binding assay


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50140735
PNG
((3aR,7aR)-1-[1-(4-Isopropyl-cyclohexyl)-piperidin-...)
Show SMILES CC(C)C1CCC(CC1)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2NC1=O |wU:21.24,wD:16.17,(-2.39,-9.62,;-1.32,-8.52,;.17,-8.9,;-1.72,-7.04,;-.64,-5.94,;-1.06,-4.43,;-2.56,-4.06,;-3.65,-5.17,;-3.23,-6.66,;-2.98,-2.57,;-1.9,-1.49,;-2.32,-.01,;-3.79,.39,;-4.88,-.71,;-4.47,-2.17,;-4.21,1.86,;-5.66,2.34,;-6.98,1.58,;-8.33,2.34,;-8.33,3.88,;-6.98,4.65,;-5.66,3.88,;-4.21,4.35,;-3.3,3.1,;-1.76,3.09,)|
Show InChI InChI=1S/C21H37N3O/c1-15(2)16-7-9-17(10-8-16)23-13-11-18(12-14-23)24-20-6-4-3-5-19(20)22-21(24)25/h15-20H,3-14H2,1-2H3,(H,22,25)/t16?,17?,19-,20-/m1/s1
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6.21E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Tested for the opioid receptor kappa 1 binding affinity using membrane preparations from recombinant HEK293 cells with [3H]U-69593 radioligand


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50140741
PNG
((3aR,7aR)-1-(1-Cyclooctylmethyl-piperidin-4-yl)-oc...)
Show SMILES O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC2CCCCCCC2)CC1
Show InChI InChI=1S/C21H37N3O/c25-21-22-19-10-6-7-11-20(19)24(21)18-12-14-23(15-13-18)16-17-8-4-2-1-3-5-9-17/h17-20H,1-16H2,(H,22,25)/t19-,20-/m1/s1
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6.53E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Tested for the opioid receptor delta 1 binding affinity using membrane preparations from recombinant HEK293 cells with [3H]naltrindole radioligand


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50140735
PNG
((3aR,7aR)-1-[1-(4-Isopropyl-cyclohexyl)-piperidin-...)
Show SMILES CC(C)C1CCC(CC1)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2NC1=O |wU:21.24,wD:16.17,(-2.39,-9.62,;-1.32,-8.52,;.17,-8.9,;-1.72,-7.04,;-.64,-5.94,;-1.06,-4.43,;-2.56,-4.06,;-3.65,-5.17,;-3.23,-6.66,;-2.98,-2.57,;-1.9,-1.49,;-2.32,-.01,;-3.79,.39,;-4.88,-.71,;-4.47,-2.17,;-4.21,1.86,;-5.66,2.34,;-6.98,1.58,;-8.33,2.34,;-8.33,3.88,;-6.98,4.65,;-5.66,3.88,;-4.21,4.35,;-3.3,3.1,;-1.76,3.09,)|
Show InChI InChI=1S/C21H37N3O/c1-15(2)16-7-9-17(10-8-16)23-13-11-18(12-14-23)24-20-6-4-3-5-19(20)22-21(24)25/h15-20H,3-14H2,1-2H3,(H,22,25)/t16?,17?,19-,20-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Tested for the opioid receptor delta 1 binding affinity using membrane preparations from recombinant HEK293 cells with [3H]naltrindole radioligand


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50140748
PNG
((3aR,7aR)-1-(1-Cyclooctylmethyl-piperidin-4-yl)-3-...)
Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC3CCCCCCC3)CC2)C1=O
Show InChI InChI=1S/C23H41N3O/c1-2-25-21-12-8-9-13-22(21)26(23(25)27)20-14-16-24(17-15-20)18-19-10-6-4-3-5-7-11-19/h19-22H,2-18H2,1H3/t21-,22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Tested for the opioid receptor kappa 1 binding affinity using membrane preparations from recombinant HEK293 cells with [3H]U-69593 radioligand


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50140731
PNG
((3aR,7aR)-1-Ethyl-3-[1-(4-isopropyl-cyclohexyl)-pi...)
Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC2)C2CCC(CC2)C(C)C)C1=O |wU:3.2,wD:8.9,(-1.76,5.37,;-3.26,5.05,;-3.74,3.6,;-5.19,3.12,;-6.52,3.89,;-7.86,3.12,;-7.86,1.58,;-6.52,.81,;-5.19,1.58,;-3.74,1.11,;-3.33,-.37,;-4.42,-1.47,;-4.01,-2.93,;-2.51,-3.33,;-1.44,-2.24,;-1.86,-.75,;-2.1,-4.82,;-.6,-5.19,;-.18,-6.69,;-1.26,-7.8,;-2.76,-7.41,;-3.18,-5.92,;-.85,-9.28,;.64,-9.66,;-1.92,-10.37,;-2.83,2.34,;-1.3,2.34,)|
Show InChI InChI=1S/C23H41N3O/c1-4-25-21-7-5-6-8-22(21)26(23(25)27)20-13-15-24(16-14-20)19-11-9-18(10-12-19)17(2)3/h17-22H,4-16H2,1-3H3/t18?,19?,21-,22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Tested for the opioid receptor delta 1 binding affinity using membrane preparations from recombinant HEK293 cells with [3H]naltrindole radioligand


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50404325
PNG
(CHEMBL2113262)
Show SMILES O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC1)C1CCC2CCCCC2C1
Show InChI InChI=1S/C22H37N3O/c26-22-23-20-7-3-4-8-21(20)25(22)18-11-13-24(14-12-18)19-10-9-16-5-1-2-6-17(16)15-19/h16-21H,1-15H2,(H,23,26)/t16?,17?,19?,20-,21-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Tested for the opioid receptor delta 1 binding affinity using membrane preparations from recombinant HEK293 cells with [3H]naltrindole radioligand


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50140748
PNG
((3aR,7aR)-1-(1-Cyclooctylmethyl-piperidin-4-yl)-3-...)
Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC3CCCCCCC3)CC2)C1=O
Show InChI InChI=1S/C23H41N3O/c1-2-25-21-12-8-9-13-22(21)26(23(25)27)20-14-16-24(17-15-20)18-19-10-6-4-3-5-7-11-19/h19-22H,2-18H2,1H3/t21-,22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Tested for the opioid receptor delta 1 binding affinity using membrane preparations from recombinant HEK293 cells with [3H]naltrindole radioligand


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50140731
PNG
((3aR,7aR)-1-Ethyl-3-[1-(4-isopropyl-cyclohexyl)-pi...)
Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC2)C2CCC(CC2)C(C)C)C1=O |wU:3.2,wD:8.9,(-1.76,5.37,;-3.26,5.05,;-3.74,3.6,;-5.19,3.12,;-6.52,3.89,;-7.86,3.12,;-7.86,1.58,;-6.52,.81,;-5.19,1.58,;-3.74,1.11,;-3.33,-.37,;-4.42,-1.47,;-4.01,-2.93,;-2.51,-3.33,;-1.44,-2.24,;-1.86,-.75,;-2.1,-4.82,;-.6,-5.19,;-.18,-6.69,;-1.26,-7.8,;-2.76,-7.41,;-3.18,-5.92,;-.85,-9.28,;.64,-9.66,;-1.92,-10.37,;-2.83,2.34,;-1.3,2.34,)|
Show InChI InChI=1S/C23H41N3O/c1-4-25-21-7-5-6-8-22(21)26(23(25)27)20-13-15-24(16-14-20)19-11-9-18(10-12-19)17(2)3/h17-22H,4-16H2,1-3H3/t18?,19?,21-,22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Tested for the opioid receptor kappa 1 binding affinity using membrane preparations from recombinant HEK293 cells with [3H]U-69593 radioligand


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50404326
PNG
(CHEMBL2113273)
Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC2)C2CCC3CCCCC3C2)C1=O
Show InChI InChI=1S/C24H41N3O/c1-2-26-22-9-5-6-10-23(22)27(24(26)28)20-13-15-25(16-14-20)21-12-11-18-7-3-4-8-19(18)17-21/h18-23H,2-17H2,1H3/t18?,19?,21?,22-,23-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Tested for the opioid receptor kappa 1 binding affinity using membrane preparations from recombinant HEK293 cells with [3H]U-69593 radioligand


Bioorg Med Chem Lett 14: 1347-51 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.083
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%