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PubMed code 18311899

Compile data set for download or QSAR
Found 26 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/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86950
PNG
(CAS_5462505 | NSC_5462505 | heterocodeine)
Show SMILES COC1C=CC2C3Cc4ccc(O)c5OC1C2(CCN3C)c45 |c:3,TLB:4:5:19.18.17:7.8.21|
Show InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,11-12,14,17,20H,7-9H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




J Med Chem 51: 2316-20 (2008)


Article DOI: 10.1021/jm701457j
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86258
PNG
(CAS_23552-18-3 | Morphine | NSC_5980)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3C=CC4O)ccc5O |c:16,TLB:13:12:1.2.3:10.9.8|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3
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1.70n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




J Med Chem 51: 2316-20 (2008)


Article DOI: 10.1021/jm701457j
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86957
PNG
(6-desoxymorphine | CAS_44450262 | NSC_44450262)
Show SMILES CN1CCC23C4CC=CC2C1Cc1ccc(O)c(O4)c31 |c:7,TLB:8:9:1.2.3:11.12.19|
Show InChI InChI=1S/C17H19NO2/c1-18-8-7-17-11-3-2-4-14(17)20-16-13(19)6-5-10(15(16)17)9-12(11)18/h2-3,5-6,11-12,14,19H,4,7-9H2,1H3
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2.10n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




J Med Chem 51: 2316-20 (2008)


Article DOI: 10.1021/jm701457j
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86957
PNG
(6-desoxymorphine | CAS_44450262 | NSC_44450262)
Show SMILES CN1CCC23C4CC=CC2C1Cc1ccc(O)c(O4)c31 |c:7,TLB:8:9:1.2.3:11.12.19|
Show InChI InChI=1S/C17H19NO2/c1-18-8-7-17-11-3-2-4-14(17)20-16-13(19)6-5-10(15(16)17)9-12(11)18/h2-3,5-6,11-12,14,19H,4,7-9H2,1H3
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11.8n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




J Med Chem 51: 2316-20 (2008)


Article DOI: 10.1021/jm701457j
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86950
PNG
(CAS_5462505 | NSC_5462505 | heterocodeine)
Show SMILES COC1C=CC2C3Cc4ccc(O)c5OC1C2(CCN3C)c45 |c:3,TLB:4:5:19.18.17:7.8.21|
Show InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,11-12,14,17,20H,7-9H2,1-2H3
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22.8n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




J Med Chem 51: 2316-20 (2008)


Article DOI: 10.1021/jm701457j
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86952
PNG
(7,8-dihydro-3,6-didesoxymorphine | CAS_22816300 | ...)
Show SMILES CN1CCC23C4CCCC2C1Cc1cccc(O4)c31 |TLB:8:9:1.2.3:11.12.18|
Show InChI InChI=1S/C17H21NO/c1-18-9-8-17-12-5-3-7-15(17)19-14-6-2-4-11(16(14)17)10-13(12)18/h2,4,6,12-13,15H,3,5,7-10H2,1H3
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22.9n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




J Med Chem 51: 2316-20 (2008)


Article DOI: 10.1021/jm701457j
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86957
PNG
(6-desoxymorphine | CAS_44450262 | NSC_44450262)
Show SMILES CN1CCC23C4CC=CC2C1Cc1ccc(O)c(O4)c31 |c:7,TLB:8:9:1.2.3:11.12.19|
Show InChI InChI=1S/C17H19NO2/c1-18-8-7-17-11-3-2-4-14(17)20-16-13(19)6-5-10(15(16)17)9-12(11)18/h2-3,5-6,11-12,14,19H,4,7-9H2,1H3
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45.5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




J Med Chem 51: 2316-20 (2008)


Article DOI: 10.1021/jm701457j
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86258
PNG
(CAS_23552-18-3 | Morphine | NSC_5980)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3C=CC4O)ccc5O |c:16,TLB:13:12:1.2.3:10.9.8|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3
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65.5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




J Med Chem 51: 2316-20 (2008)


Article DOI: 10.1021/jm701457j
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86950
PNG
(CAS_5462505 | NSC_5462505 | heterocodeine)
Show SMILES COC1C=CC2C3Cc4ccc(O)c5OC1C2(CCN3C)c45 |c:3,TLB:4:5:19.18.17:7.8.21|
Show InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,11-12,14,17,20H,7-9H2,1-2H3
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65.8n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




J Med Chem 51: 2316-20 (2008)


Article DOI: 10.1021/jm701457j
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86258
PNG
(CAS_23552-18-3 | Morphine | NSC_5980)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3C=CC4O)ccc5O |c:16,TLB:13:12:1.2.3:10.9.8|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3
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105n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




J Med Chem 51: 2316-20 (2008)


Article DOI: 10.1021/jm701457j
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86955
PNG
(7,8-dihydro-3-desoxymorphine | CAS_16039356 | NSC_...)
Show SMILES CN1CCC23C4Oc5cccc(CC1C2CCC4O)c35 |TLB:15:14:1.2.3:12.11.19|
Show InChI InChI=1S/C17H21NO2/c1-18-8-7-17-11-5-6-13(19)16(17)20-14-4-2-3-10(15(14)17)9-12(11)18/h2-4,11-13,16,19H,5-9H2,1H3
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122n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




J Med Chem 51: 2316-20 (2008)


Article DOI: 10.1021/jm701457j
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86952
PNG
(7,8-dihydro-3,6-didesoxymorphine | CAS_22816300 | ...)
Show SMILES CN1CCC23C4CCCC2C1Cc1cccc(O4)c31 |TLB:8:9:1.2.3:11.12.18|
Show InChI InChI=1S/C17H21NO/c1-18-9-8-17-12-5-3-7-15(17)19-14-6-2-4-11(16(14)17)10-13(12)18/h2,4,6,12-13,15H,3,5,7-10H2,1H3
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241n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




J Med Chem 51: 2316-20 (2008)


Article DOI: 10.1021/jm701457j
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86954
PNG
(6-desoxycodeine | CAS_5492830 | NSC_5492830)
Show SMILES COc1ccc2CC3C4C=CCC5Oc1c2C45CCN3C |c:9,THB:9:8:19.18.17:6.5.15|
Show InChI InChI=1S/C18H21NO2/c1-19-9-8-18-12-4-3-5-15(18)21-17-14(20-2)7-6-11(16(17)18)10-13(12)19/h3-4,6-7,12-13,15H,5,8-10H2,1-2H3
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305n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




J Med Chem 51: 2316-20 (2008)


Article DOI: 10.1021/jm701457j
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86953
PNG
(7,8-dihydro-3-desoxyheterocodeine | CAS_24828463 |...)
Show SMILES COC1CCC2C3Cc4cccc5OC1C2(CCN3C)c45 |TLB:4:5:18.17.16:7.8.20|
Show InChI InChI=1S/C18H23NO2/c1-19-9-8-18-12-6-7-15(20-2)17(18)21-14-5-3-4-11(16(14)18)10-13(12)19/h3-5,12-13,15,17H,6-10H2,1-2H3
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524n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




J Med Chem 51: 2316-20 (2008)


Article DOI: 10.1021/jm701457j
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86952
PNG
(7,8-dihydro-3,6-didesoxymorphine | CAS_22816300 | ...)
Show SMILES CN1CCC23C4CCCC2C1Cc1cccc(O4)c31 |TLB:8:9:1.2.3:11.12.18|
Show InChI InChI=1S/C17H21NO/c1-18-9-8-17-12-5-3-7-15(17)19-14-6-2-4-11(16(14)17)10-13(12)18/h2,4,6,12-13,15H,3,5,7-10H2,1H3
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589n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




J Med Chem 51: 2316-20 (2008)


Article DOI: 10.1021/jm701457j
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM82266
PNG
(CAS_29485-83-4 | CODEINE SULFATE | Codeine | NSC_2...)
Show SMILES COc1ccc2CC3C4C=CC(O)C5Oc1c2C45CCN3C |c:9,THB:9:8:20.19.18:6.5.16|
Show InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3
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727n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




J Med Chem 51: 2316-20 (2008)


Article DOI: 10.1021/jm701457j
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86956
PNG
(CAS_5492619 | NSC_5492619 | codeine-6-methyl ether)
Show SMILES COC1C=CC2C3Cc4ccc(OC)c5OC1C2(CCN3C)c45 |c:3,TLB:4:5:20.19.18:7.8.22|
Show InChI InChI=1S/C19H23NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,12-13,15,18H,8-10H2,1-3H3
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1.91E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




J Med Chem 51: 2316-20 (2008)


Article DOI: 10.1021/jm701457j
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86954
PNG
(6-desoxycodeine | CAS_5492830 | NSC_5492830)
Show SMILES COc1ccc2CC3C4C=CCC5Oc1c2C45CCN3C |c:9,THB:9:8:19.18.17:6.5.15|
Show InChI InChI=1S/C18H21NO2/c1-19-9-8-18-12-4-3-5-15(18)21-17-14(20-2)7-6-11(16(17)18)10-13(12)19/h3-4,6-7,12-13,15H,5,8-10H2,1-2H3
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3.09E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




J Med Chem 51: 2316-20 (2008)


Article DOI: 10.1021/jm701457j
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86956
PNG
(CAS_5492619 | NSC_5492619 | codeine-6-methyl ether)
Show SMILES COC1C=CC2C3Cc4ccc(OC)c5OC1C2(CCN3C)c45 |c:3,TLB:4:5:20.19.18:7.8.22|
Show InChI InChI=1S/C19H23NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,12-13,15,18H,8-10H2,1-3H3
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4.41E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




J Med Chem 51: 2316-20 (2008)


Article DOI: 10.1021/jm701457j
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86955
PNG
(7,8-dihydro-3-desoxymorphine | CAS_16039356 | NSC_...)
Show SMILES CN1CCC23C4Oc5cccc(CC1C2CCC4O)c35 |TLB:15:14:1.2.3:12.11.19|
Show InChI InChI=1S/C17H21NO2/c1-18-8-7-17-11-5-6-13(19)16(17)20-14-4-2-3-10(15(14)17)9-12(11)18/h2-4,11-13,16,19H,5-9H2,1H3
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4.91E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




J Med Chem 51: 2316-20 (2008)


Article DOI: 10.1021/jm701457j
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86955
PNG
(7,8-dihydro-3-desoxymorphine | CAS_16039356 | NSC_...)
Show SMILES CN1CCC23C4Oc5cccc(CC1C2CCC4O)c35 |TLB:15:14:1.2.3:12.11.19|
Show InChI InChI=1S/C17H21NO2/c1-18-8-7-17-11-5-6-13(19)16(17)20-14-4-2-3-10(15(14)17)9-12(11)18/h2-4,11-13,16,19H,5-9H2,1H3
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5.25E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




J Med Chem 51: 2316-20 (2008)


Article DOI: 10.1021/jm701457j
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86956
PNG
(CAS_5492619 | NSC_5492619 | codeine-6-methyl ether)
Show SMILES COC1C=CC2C3Cc4ccc(OC)c5OC1C2(CCN3C)c45 |c:3,TLB:4:5:20.19.18:7.8.22|
Show InChI InChI=1S/C19H23NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,12-13,15,18H,8-10H2,1-3H3
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5.43E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




J Med Chem 51: 2316-20 (2008)


Article DOI: 10.1021/jm701457j
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86953
PNG
(7,8-dihydro-3-desoxyheterocodeine | CAS_24828463 |...)
Show SMILES COC1CCC2C3Cc4cccc5OC1C2(CCN3C)c45 |TLB:4:5:18.17.16:7.8.20|
Show InChI InChI=1S/C18H23NO2/c1-19-9-8-18-12-6-7-15(20-2)17(18)21-14-5-3-4-11(16(14)18)10-13(12)19/h3-5,12-13,15,17H,6-10H2,1-2H3
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8.83E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




J Med Chem 51: 2316-20 (2008)


Article DOI: 10.1021/jm701457j
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86953
PNG
(7,8-dihydro-3-desoxyheterocodeine | CAS_24828463 |...)
Show SMILES COC1CCC2C3Cc4cccc5OC1C2(CCN3C)c45 |TLB:4:5:18.17.16:7.8.20|
Show InChI InChI=1S/C18H23NO2/c1-19-9-8-18-12-6-7-15(20-2)17(18)21-14-5-3-4-11(16(14)18)10-13(12)19/h3-5,12-13,15,17H,6-10H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




J Med Chem 51: 2316-20 (2008)


Article DOI: 10.1021/jm701457j
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM82266
PNG
(CAS_29485-83-4 | CODEINE SULFATE | Codeine | NSC_2...)
Show SMILES COc1ccc2CC3C4C=CC(O)C5Oc1c2C45CCN3C |c:9,THB:9:8:20.19.18:6.5.16|
Show InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




J Med Chem 51: 2316-20 (2008)


Article DOI: 10.1021/jm701457j
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM82266
PNG
(CAS_29485-83-4 | CODEINE SULFATE | Codeine | NSC_2...)
Show SMILES COc1ccc2CC3C4C=CC(O)C5Oc1c2C45CCN3C |c:9,THB:9:8:20.19.18:6.5.16|
Show InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3
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UniChem
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




J Med Chem 51: 2316-20 (2008)


Article DOI: 10.1021/jm701457j
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%