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PubMed code 19125610

Compile data set for download or QSAR
Found 82 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))
BDBM50255850
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3R)-3...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C26H40N4/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3/t21-/m1/s1
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0.0858n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50255899
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3S)-3...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@H]1CCCNC1 |r|
Show InChI InChI=1S/C26H40N4/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3/t21-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50255901
PNG
(1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-2-[3-(met...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C28H37N3O2S/c1-28(17-8-4-3-5-9-18-28)30-19-15-23(16-20-30)31-26-14-7-6-13-25(26)29-27(31)22-11-10-12-24(21-22)34(2,32)33/h6-7,10-14,21,23H,3-5,8-9,15-20H2,1-2H3
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0.150n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50255135
PNG
(1-(3-{1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-1H-...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(CN)c1
Show InChI InChI=1S/C28H38N4/c1-28(16-7-3-2-4-8-17-28)31-18-14-24(15-19-31)32-26-13-6-5-12-25(26)30-27(32)23-11-9-10-22(20-23)21-29/h5-6,9-13,20,24H,2-4,7-8,14-19,21,29H2,1H3
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0.180n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50255898
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3R)-1...)
Show SMILES CN1CCC[C@H](C1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1 |r|
Show InChI InChI=1S/C27H42N4/c1-27(16-8-4-3-5-9-17-27)30-19-14-23(15-20-30)31-25-13-7-6-12-24(25)28-26(31)22-11-10-18-29(2)21-22/h6-7,12-13,22-23H,3-5,8-11,14-21H2,1-2H3/t22-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50255953
PNG
(2-(3-Chloro-4-fluorophenyl)-1-[1-(1-methylcyclooct...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C27H33ClFN3/c1-27(15-7-3-2-4-8-16-27)31-17-13-21(14-18-31)32-25-10-6-5-9-24(25)30-26(32)20-11-12-23(29)22(28)19-20/h5-6,9-12,19,21H,2-4,7-8,13-18H2,1H3
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0.220n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50255900
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3S)-1...)
Show SMILES CN1CCC[C@@H](C1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1 |r|
Show InChI InChI=1S/C27H42N4/c1-27(16-8-4-3-5-9-17-27)30-19-14-23(15-20-30)31-25-13-7-6-12-24(25)28-26(31)22-11-10-18-29(2)21-22/h6-7,12-13,22-23H,3-5,8-11,14-21H2,1-2H3/t22-/m0/s1
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0.240n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50255134
PNG
(2-(3-{1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-1H-...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(OCCO)c1
Show InChI InChI=1S/C29H39N3O2/c1-29(16-7-3-2-4-8-17-29)31-18-14-24(15-19-31)32-27-13-6-5-12-26(27)30-28(32)23-10-9-11-25(22-23)34-21-20-33/h5-6,9-13,22,24,33H,2-4,7-8,14-21H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
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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0.390n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50255955
PNG
(2-(1-Benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)pip...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cc2ccccc2o1
Show InChI InChI=1S/C29H35N3O/c1-29(17-9-3-2-4-10-18-29)31-19-15-23(16-20-31)32-25-13-7-6-12-24(25)30-28(32)27-21-22-11-5-8-14-26(22)33-27/h5-8,11-14,21,23H,2-4,9-10,15-20H2,1H3
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0.530n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50255899
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3S)-3...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@H]1CCCNC1 |r|
Show InChI InChI=1S/C26H40N4/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3/t21-/m0/s1
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0.590n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50255956
PNG
(1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-2-[3-(tri...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H34F3N3/c1-27(16-7-3-2-4-8-17-27)33-18-14-23(15-19-33)34-25-13-6-5-12-24(25)32-26(34)21-10-9-11-22(20-21)28(29,30)31/h5-6,9-13,20,23H,2-4,7-8,14-19H2,1H3
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0.630n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50255850
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3R)-3...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C26H40N4/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3/t21-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50255954
PNG
(2-(1H-Indol-6-yl)-1-[1-(1-methylcyclooctyl)piperid...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C29H36N4/c1-29(16-7-3-2-4-8-17-29)32-19-14-24(15-20-32)33-27-10-6-5-9-25(27)31-28(33)23-12-11-22-13-18-30-26(22)21-23/h5-6,9-13,18,21,24,30H,2-4,7-8,14-17,19-20H2,1H3
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1.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50255136
PNG
(2-(3,5-dimethylpiperazin-1-yl)-1-[1-(1-methylcyclo...)
Show SMILES CC1CN(CC(C)N1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1
Show InChI InChI=1S/C27H43N5/c1-21-19-30(20-22(2)28-21)26-29-24-11-7-8-12-25(24)32(26)23-13-17-31(18-14-23)27(3)15-9-5-4-6-10-16-27/h7-8,11-12,21-23,28H,4-6,9-10,13-20H2,1-3H3
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2.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50255137
PNG
(1-[1-(1-methylcyclooctyl)piperidin-4-yl]-1H-benzim...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1cnc2ccccc12
Show InChI InChI=1S/C21H31N3/c1-21(13-7-3-2-4-8-14-21)23-15-11-18(12-16-23)24-17-22-19-9-5-6-10-20(19)24/h5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50255898
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3R)-1...)
Show SMILES CN1CCC[C@H](C1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1 |r|
Show InChI InChI=1S/C27H42N4/c1-27(16-8-4-3-5-9-17-27)30-19-14-23(15-20-30)31-25-13-7-6-12-24(25)28-26(31)22-11-10-18-29(2)21-22/h6-7,12-13,22-23H,3-5,8-11,14-21H2,1-2H3/t22-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHOK1 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50255901
PNG
(1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-2-[3-(met...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C28H37N3O2S/c1-28(17-8-4-3-5-9-18-28)30-19-15-23(16-20-30)31-26-14-7-6-13-25(26)29-27(31)22-11-10-12-24(21-22)34(2,32)33/h6-7,10-14,21,23H,3-5,8-9,15-20H2,1-2H3
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6.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHOK1 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50255899
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3S)-3...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@H]1CCCNC1 |r|
Show InChI InChI=1S/C26H40N4/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3/t21-/m0/s1
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9.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]enadoline from human kappa opioid receptor expressed in HEK293 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50255134
PNG
(2-(3-{1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-1H-...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(OCCO)c1
Show InChI InChI=1S/C29H39N3O2/c1-29(16-7-3-2-4-8-17-29)31-18-14-24(15-19-31)32-27-13-6-5-12-26(27)30-28(32)23-10-9-11-25(22-23)34-21-20-33/h5-6,9-13,22,24,33H,2-4,7-8,14-21H2,1H3
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9.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHOK1 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50255900
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3S)-1...)
Show SMILES CN1CCC[C@@H](C1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1 |r|
Show InChI InChI=1S/C27H42N4/c1-27(16-8-4-3-5-9-17-27)30-19-14-23(15-20-30)31-25-13-7-6-12-24(25)28-26(31)22-11-10-18-29(2)21-22/h6-7,12-13,22-23H,3-5,8-11,14-21H2,1-2H3/t22-/m0/s1
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10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]enadoline from human kappa opioid receptor expressed in HEK293 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50255134
PNG
(2-(3-{1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-1H-...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(OCCO)c1
Show InChI InChI=1S/C29H39N3O2/c1-29(16-7-3-2-4-8-17-29)31-18-14-24(15-19-31)32-27-13-6-5-12-26(27)30-28(32)23-10-9-11-25(22-23)34-21-20-33/h5-6,9-13,22,24,33H,2-4,7-8,14-21H2,1H3
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11n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50255137
PNG
(1-[1-(1-methylcyclooctyl)piperidin-4-yl]-1H-benzim...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1cnc2ccccc12
Show InChI InChI=1S/C21H31N3/c1-21(13-7-3-2-4-8-14-21)23-15-11-18(12-16-23)24-17-22-19-9-5-6-10-20(19)24/h5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3
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11n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50255900
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3S)-1...)
Show SMILES CN1CCC[C@@H](C1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1 |r|
Show InChI InChI=1S/C27H42N4/c1-27(16-8-4-3-5-9-17-27)30-19-14-23(15-20-30)31-25-13-7-6-12-24(25)28-26(31)22-11-10-18-29(2)21-22/h6-7,12-13,22-23H,3-5,8-11,14-21H2,1-2H3/t22-/m0/s1
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11n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHOK1 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50255136
PNG
(2-(3,5-dimethylpiperazin-1-yl)-1-[1-(1-methylcyclo...)
Show SMILES CC1CN(CC(C)N1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1
Show InChI InChI=1S/C27H43N5/c1-21-19-30(20-22(2)28-21)26-29-24-11-7-8-12-25(24)32(26)23-13-17-31(18-14-23)27(3)15-9-5-4-6-10-16-27/h7-8,11-12,21-23,28H,4-6,9-10,13-20H2,1-3H3
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15n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]enadoline from human kappa opioid receptor expressed in HEK293 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50255135
PNG
(1-(3-{1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-1H-...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(CN)c1
Show InChI InChI=1S/C28H38N4/c1-28(16-7-3-2-4-8-17-28)31-18-14-24(15-19-31)32-26-13-6-5-12-25(26)30-27(32)23-11-9-10-22(20-23)21-29/h5-6,9-13,20,24H,2-4,7-8,14-19,21,29H2,1H3
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20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHOK1 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50255136
PNG
(2-(3,5-dimethylpiperazin-1-yl)-1-[1-(1-methylcyclo...)
Show SMILES CC1CN(CC(C)N1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1
Show InChI InChI=1S/C27H43N5/c1-21-19-30(20-22(2)28-21)26-29-24-11-7-8-12-25(24)32(26)23-13-17-31(18-14-23)27(3)15-9-5-4-6-10-16-27/h7-8,11-12,21-23,28H,4-6,9-10,13-20H2,1-3H3
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21n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50255850
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3R)-3...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C26H40N4/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3/t21-/m1/s1
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23n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]enadoline from human kappa opioid receptor expressed in HEK293 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50255898
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3R)-1...)
Show SMILES CN1CCC[C@H](C1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1 |r|
Show InChI InChI=1S/C27H42N4/c1-27(16-8-4-3-5-9-17-27)30-19-14-23(15-20-30)31-25-13-7-6-12-24(25)28-26(31)22-11-10-18-29(2)21-22/h6-7,12-13,22-23H,3-5,8-11,14-21H2,1-2H3/t22-/m1/s1
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25n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]enadoline from human kappa opioid receptor expressed in HEK293 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50255134
PNG
(2-(3-{1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-1H-...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(OCCO)c1
Show InChI InChI=1S/C29H39N3O2/c1-29(16-7-3-2-4-8-17-29)31-18-14-24(15-19-31)32-27-13-6-5-12-26(27)30-28(32)23-10-9-11-25(22-23)34-21-20-33/h5-6,9-13,22,24,33H,2-4,7-8,14-21H2,1H3
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43n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50255953
PNG
(2-(3-Chloro-4-fluorophenyl)-1-[1-(1-methylcyclooct...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C27H33ClFN3/c1-27(15-7-3-2-4-8-16-27)31-17-13-21(14-18-31)32-25-10-6-5-9-24(25)30-26(32)20-11-12-23(29)22(28)19-20/h5-6,9-12,19,21H,2-4,7-8,13-18H2,1H3
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45n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50255956
PNG
(1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-2-[3-(tri...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H34F3N3/c1-27(16-7-3-2-4-8-17-27)33-18-14-23(15-19-33)34-25-13-6-5-12-24(25)32-26(34)21-10-9-11-22(20-21)28(29,30)31/h5-6,9-13,20,23H,2-4,7-8,14-19H2,1H3
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58n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHOK1 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50255956
PNG
(1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-2-[3-(tri...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H34F3N3/c1-27(16-7-3-2-4-8-17-27)33-18-14-23(15-19-33)34-25-13-6-5-12-24(25)32-26(34)21-10-9-11-22(20-21)28(29,30)31/h5-6,9-13,20,23H,2-4,7-8,14-19H2,1H3
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65n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50255135
PNG
(1-(3-{1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-1H-...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(CN)c1
Show InChI InChI=1S/C28H38N4/c1-28(16-7-3-2-4-8-17-28)31-18-14-24(15-19-31)32-26-13-6-5-12-25(26)30-27(32)23-11-9-10-22(20-23)21-29/h5-6,9-13,20,24H,2-4,7-8,14-19,21,29H2,1H3
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72n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]enadoline from human kappa opioid receptor expressed in HEK293 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50255955
PNG
(2-(1-Benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)pip...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cc2ccccc2o1
Show InChI InChI=1S/C29H35N3O/c1-29(17-9-3-2-4-10-18-29)31-19-15-23(16-20-31)32-25-13-7-6-12-24(25)30-28(32)27-21-22-11-5-8-14-26(22)33-27/h5-8,11-14,21,23H,2-4,9-10,15-20H2,1H3
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102n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50255900
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3S)-1...)
Show SMILES CN1CCC[C@@H](C1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1 |r|
Show InChI InChI=1S/C27H42N4/c1-27(16-8-4-3-5-9-17-27)30-19-14-23(15-20-30)31-25-13-7-6-12-24(25)28-26(31)22-11-10-18-29(2)21-22/h6-7,12-13,22-23H,3-5,8-11,14-21H2,1-2H3/t22-/m0/s1
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110n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHOK1 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50255135
PNG
(1-(3-{1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-1H-...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(CN)c1
Show InChI InChI=1S/C28H38N4/c1-28(16-7-3-2-4-8-17-28)31-18-14-24(15-19-31)32-26-13-6-5-12-25(26)30-27(32)23-11-9-10-22(20-23)21-29/h5-6,9-13,20,24H,2-4,7-8,14-19,21,29H2,1H3
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140n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHOK1 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50255954
PNG
(2-(1H-Indol-6-yl)-1-[1-(1-methylcyclooctyl)piperid...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C29H36N4/c1-29(16-7-3-2-4-8-17-29)32-19-14-24(15-20-32)33-27-10-6-5-9-25(27)31-28(33)23-12-11-22-13-18-30-26(22)21-23/h5-6,9-13,18,21,24,30H,2-4,7-8,14-17,19-20H2,1H3
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151n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHOK1 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50255899
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3S)-3...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@H]1CCCNC1 |r|
Show InChI InChI=1S/C26H40N4/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3/t21-/m0/s1
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168n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHOK1 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50255956
PNG
(1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-2-[3-(tri...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H34F3N3/c1-27(16-7-3-2-4-8-17-27)33-18-14-23(15-19-33)34-25-13-6-5-12-24(25)32-26(34)21-10-9-11-22(20-21)28(29,30)31/h5-6,9-13,20,23H,2-4,7-8,14-19H2,1H3
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352n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50255898
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3R)-1...)
Show SMILES CN1CCC[C@H](C1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1 |r|
Show InChI InChI=1S/C27H42N4/c1-27(16-8-4-3-5-9-17-27)30-19-14-23(15-20-30)31-25-13-7-6-12-24(25)28-26(31)22-11-10-18-29(2)21-22/h6-7,12-13,22-23H,3-5,8-11,14-21H2,1-2H3/t22-/m1/s1
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>500n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHOK1 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50255850
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3R)-3...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C26H40N4/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3/t21-/m1/s1
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>667n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHOK1 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Mu-type opioid 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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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHOK1 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Kappa-type opioid 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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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]enadoline from human kappa opioid receptor expressed in HEK293 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Delta-type opioid 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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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHOK1 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50255900
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3S)-1...)
Show SMILES CN1CCC[C@@H](C1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1 |r|
Show InChI InChI=1S/C27H42N4/c1-27(16-8-4-3-5-9-17-27)30-19-14-23(15-20-30)31-25-13-7-6-12-24(25)28-26(31)22-11-10-18-29(2)21-22/h6-7,12-13,22-23H,3-5,8-11,14-21H2,1-2H3/t22-/m0/s1
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n/an/an/an/a 389n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50255899
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3S)-3...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@H]1CCCNC1 |r|
Show InChI InChI=1S/C26H40N4/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3/t21-/m0/s1
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n/an/an/an/a 514n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50255899
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3S)-3...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@H]1CCCNC1 |r|
Show InChI InChI=1S/C26H40N4/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3/t21-/m0/s1
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n/an/an/an/a 0.5n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50255134
PNG
(2-(3-{1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-1H-...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(OCCO)c1
Show InChI InChI=1S/C29H39N3O2/c1-29(16-7-3-2-4-8-17-29)31-18-14-24(15-19-31)32-27-13-6-5-12-26(27)30-28(32)23-10-9-11-25(22-23)34-21-20-33/h5-6,9-13,22,24,33H,2-4,7-8,14-21H2,1H3
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n/an/an/an/a 48n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50255135
PNG
(1-(3-{1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-1H-...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(CN)c1
Show InChI InChI=1S/C28H38N4/c1-28(16-7-3-2-4-8-17-28)31-18-14-24(15-19-31)32-26-13-6-5-12-25(26)30-27(32)23-11-9-10-22(20-23)21-29/h5-6,9-13,20,24H,2-4,7-8,14-19,21,29H2,1H3
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n/an/an/an/a 1.30n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
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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n/an/an/an/a 1.5n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50255955
PNG
(2-(1-Benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)pip...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cc2ccccc2o1
Show InChI InChI=1S/C29H35N3O/c1-29(17-9-3-2-4-10-18-29)31-19-15-23(16-20-31)32-25-13-7-6-12-24(25)30-28(32)27-21-22-11-5-8-14-26(22)33-27/h5-8,11-14,21,23H,2-4,9-10,15-20H2,1H3
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n/an/an/an/a 3.67E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50255954
PNG
(2-(1H-Indol-6-yl)-1-[1-(1-methylcyclooctyl)piperid...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C29H36N4/c1-29(16-7-3-2-4-8-17-29)32-19-14-24(15-20-32)33-27-10-6-5-9-25(27)31-28(33)23-12-11-22-13-18-30-26(22)21-23/h5-6,9-13,18,21,24,30H,2-4,7-8,14-17,19-20H2,1H3
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n/an/an/an/a 13n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50255953
PNG
(2-(3-Chloro-4-fluorophenyl)-1-[1-(1-methylcyclooct...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C27H33ClFN3/c1-27(15-7-3-2-4-8-16-27)31-17-13-21(14-18-31)32-25-10-6-5-9-24(25)30-26(32)20-11-12-23(29)22(28)19-20/h5-6,9-12,19,21H,2-4,7-8,13-18H2,1H3
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n/an/an/an/a 1.60n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50255850
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3R)-3...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C26H40N4/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3/t21-/m1/s1
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n/an/an/an/a 80n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50255898
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3R)-1...)
Show SMILES CN1CCC[C@H](C1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1 |r|
Show InChI InChI=1S/C27H42N4/c1-27(16-8-4-3-5-9-17-27)30-19-14-23(15-20-30)31-25-13-7-6-12-24(25)28-26(31)22-11-10-18-29(2)21-22/h6-7,12-13,22-23H,3-5,8-11,14-21H2,1-2H3/t22-/m1/s1
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n/an/an/an/a 70n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50255899
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3S)-3...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@H]1CCCNC1 |r|
Show InChI InChI=1S/C26H40N4/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3/t21-/m0/s1
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n/an/an/an/a 8.40n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50255956
PNG
(1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-2-[3-(tri...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H34F3N3/c1-27(16-7-3-2-4-8-17-27)33-18-14-23(15-19-33)34-25-13-6-5-12-24(25)32-26(34)21-10-9-11-22(20-21)28(29,30)31/h5-6,9-13,20,23H,2-4,7-8,14-19H2,1H3
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n/an/an/an/a 1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50255954
PNG
(2-(1H-Indol-6-yl)-1-[1-(1-methylcyclooctyl)piperid...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C29H36N4/c1-29(16-7-3-2-4-8-17-29)32-19-14-24(15-20-32)33-27-10-6-5-9-25(27)31-28(33)23-12-11-22-13-18-30-26(22)21-23/h5-6,9-13,18,21,24,30H,2-4,7-8,14-17,19-20H2,1H3
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n/an/an/an/a 8.63E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50255956
PNG
(1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-2-[3-(tri...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H34F3N3/c1-27(16-7-3-2-4-8-17-27)33-18-14-23(15-19-33)34-25-13-6-5-12-24(25)32-26(34)21-10-9-11-22(20-21)28(29,30)31/h5-6,9-13,20,23H,2-4,7-8,14-19H2,1H3
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n/an/an/an/a 1.58E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50255901
PNG
(1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-2-[3-(met...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C28H37N3O2S/c1-28(17-8-4-3-5-9-18-28)30-19-15-23(16-20-30)31-26-14-7-6-13-25(26)29-27(31)22-11-10-12-24(21-22)34(2,32)33/h6-7,10-14,21,23H,3-5,8-9,15-20H2,1-2H3
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n/an/an/an/a 288n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50255135
PNG
(1-(3-{1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-1H-...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(CN)c1
Show InChI InChI=1S/C28H38N4/c1-28(16-7-3-2-4-8-17-28)31-18-14-24(15-19-31)32-26-13-6-5-12-25(26)30-27(32)23-11-9-10-22(20-23)21-29/h5-6,9-13,20,24H,2-4,7-8,14-19,21,29H2,1H3
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n/an/an/an/a 340n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50255901
PNG
(1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-2-[3-(met...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C28H37N3O2S/c1-28(17-8-4-3-5-9-18-28)30-19-15-23(16-20-30)31-26-14-7-6-13-25(26)29-27(31)22-11-10-12-24(21-22)34(2,32)33/h6-7,10-14,21,23H,3-5,8-9,15-20H2,1-2H3
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n/an/an/an/a 1.60n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50255136
PNG
(2-(3,5-dimethylpiperazin-1-yl)-1-[1-(1-methylcyclo...)
Show SMILES CC1CN(CC(C)N1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1
Show InChI InChI=1S/C27H43N5/c1-21-19-30(20-22(2)28-21)26-29-24-11-7-8-12-25(24)32(26)23-13-17-31(18-14-23)27(3)15-9-5-4-6-10-16-27/h7-8,11-12,21-23,28H,4-6,9-10,13-20H2,1-3H3
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n/an/an/an/a 193n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50255953
PNG
(2-(3-Chloro-4-fluorophenyl)-1-[1-(1-methylcyclooct...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C27H33ClFN3/c1-27(15-7-3-2-4-8-16-27)31-17-13-21(14-18-31)32-25-10-6-5-9-24(25)30-26(32)20-11-12-23(29)22(28)19-20/h5-6,9-12,19,21H,2-4,7-8,13-18H2,1H3
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n/an/an/an/a 759n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50255956
PNG
(1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-2-[3-(tri...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H34F3N3/c1-27(16-7-3-2-4-8-17-27)33-18-14-23(15-19-33)34-25-13-6-5-12-24(25)32-26(34)21-10-9-11-22(20-21)28(29,30)31/h5-6,9-13,20,23H,2-4,7-8,14-19H2,1H3
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n/an/an/an/a 5.70n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50255136
PNG
(2-(3,5-dimethylpiperazin-1-yl)-1-[1-(1-methylcyclo...)
Show SMILES CC1CN(CC(C)N1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1
Show InChI InChI=1S/C27H43N5/c1-21-19-30(20-22(2)28-21)26-29-24-11-7-8-12-25(24)32(26)23-13-17-31(18-14-23)27(3)15-9-5-4-6-10-16-27/h7-8,11-12,21-23,28H,4-6,9-10,13-20H2,1-3H3
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n/an/an/an/a 6n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50255136
PNG
(2-(3,5-dimethylpiperazin-1-yl)-1-[1-(1-methylcyclo...)
Show SMILES CC1CN(CC(C)N1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1
Show InChI InChI=1S/C27H43N5/c1-21-19-30(20-22(2)28-21)26-29-24-11-7-8-12-25(24)32(26)23-13-17-31(18-14-23)27(3)15-9-5-4-6-10-16-27/h7-8,11-12,21-23,28H,4-6,9-10,13-20H2,1-3H3
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n/an/an/an/a 18n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50255850
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3R)-3...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C26H40N4/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3/t21-/m1/s1
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n/an/an/an/a 4.70E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50255899
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3S)-3...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@H]1CCCNC1 |r|
Show InChI InChI=1S/C26H40N4/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3/t21-/m0/s1
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n/an/an/an/a 23n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50255134
PNG
(2-(3-{1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-1H-...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(OCCO)c1
Show InChI InChI=1S/C29H39N3O2/c1-29(16-7-3-2-4-8-17-29)31-18-14-24(15-19-31)32-27-13-6-5-12-26(27)30-28(32)23-10-9-11-25(22-23)34-21-20-33/h5-6,9-13,22,24,33H,2-4,7-8,14-21H2,1H3
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n/an/an/an/a>393n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50255135
PNG
(1-(3-{1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-1H-...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(CN)c1
Show InChI InChI=1S/C28H38N4/c1-28(16-7-3-2-4-8-17-28)31-18-14-24(15-19-31)32-26-13-6-5-12-25(26)30-27(32)23-11-9-10-22(20-23)21-29/h5-6,9-13,20,24H,2-4,7-8,14-19,21,29H2,1H3
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n/an/an/an/a 154n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50255898
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3R)-1...)
Show SMILES CN1CCC[C@H](C1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1 |r|
Show InChI InChI=1S/C27H42N4/c1-27(16-8-4-3-5-9-17-27)30-19-14-23(15-20-30)31-25-13-7-6-12-24(25)28-26(31)22-11-10-18-29(2)21-22/h6-7,12-13,22-23H,3-5,8-11,14-21H2,1-2H3/t22-/m1/s1
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n/an/an/an/a 2.19E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50255898
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3R)-1...)
Show SMILES CN1CCC[C@H](C1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1 |r|
Show InChI InChI=1S/C27H42N4/c1-27(16-8-4-3-5-9-17-27)30-19-14-23(15-20-30)31-25-13-7-6-12-24(25)28-26(31)22-11-10-18-29(2)21-22/h6-7,12-13,22-23H,3-5,8-11,14-21H2,1-2H3/t22-/m1/s1
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n/an/an/an/a 1.40n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50255898
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3R)-1...)
Show SMILES CN1CCC[C@H](C1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1 |r|
Show InChI InChI=1S/C27H42N4/c1-27(16-8-4-3-5-9-17-27)30-19-14-23(15-20-30)31-25-13-7-6-12-24(25)28-26(31)22-11-10-18-29(2)21-22/h6-7,12-13,22-23H,3-5,8-11,14-21H2,1-2H3/t22-/m1/s1
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n/an/an/an/a 67n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50255900
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3S)-1...)
Show SMILES CN1CCC[C@@H](C1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1 |r|
Show InChI InChI=1S/C27H42N4/c1-27(16-8-4-3-5-9-17-27)30-19-14-23(15-20-30)31-25-13-7-6-12-24(25)28-26(31)22-11-10-18-29(2)21-22/h6-7,12-13,22-23H,3-5,8-11,14-21H2,1-2H3/t22-/m0/s1
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n/an/an/an/a 71n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50255900
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3S)-1...)
Show SMILES CN1CCC[C@@H](C1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1 |r|
Show InChI InChI=1S/C27H42N4/c1-27(16-8-4-3-5-9-17-27)30-19-14-23(15-20-30)31-25-13-7-6-12-24(25)28-26(31)22-11-10-18-29(2)21-22/h6-7,12-13,22-23H,3-5,8-11,14-21H2,1-2H3/t22-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50255850
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3R)-3...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C26H40N4/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3/t21-/m1/s1
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n/an/an/an/a 34n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50255134
PNG
(2-(3-{1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-1H-...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(OCCO)c1
Show InChI InChI=1S/C29H39N3O2/c1-29(16-7-3-2-4-8-17-29)31-18-14-24(15-19-31)32-27-13-6-5-12-26(27)30-28(32)23-10-9-11-25(22-23)34-21-20-33/h5-6,9-13,22,24,33H,2-4,7-8,14-21H2,1H3
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n/an/an/an/a 2.60n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50255900
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3S)-1...)
Show SMILES CN1CCC[C@@H](C1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1 |r|
Show InChI InChI=1S/C27H42N4/c1-27(16-8-4-3-5-9-17-27)30-19-14-23(15-20-30)31-25-13-7-6-12-24(25)28-26(31)22-11-10-18-29(2)21-22/h6-7,12-13,22-23H,3-5,8-11,14-21H2,1-2H3/t22-/m0/s1
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n/an/an/an/a 1.60n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50255955
PNG
(2-(1-Benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)pip...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cc2ccccc2o1
Show InChI InChI=1S/C29H35N3O/c1-29(17-9-3-2-4-10-18-29)31-19-15-23(16-20-31)32-25-13-7-6-12-24(25)30-28(32)27-21-22-11-5-8-14-26(22)33-27/h5-8,11-14,21,23H,2-4,9-10,15-20H2,1H3
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n/an/an/an/a 3.10n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50255850
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3R)-3...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C26H40N4/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3/t21-/m1/s1
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n/an/an/an/a 0.390n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in HEK293 cells by [35S]GTPgammaS binding


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%