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PubMed code 18313920

Compile data set for download or QSAR
Found 74 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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86965
PNG
((S)-5-amino-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CCCN)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C28H39N3O4/c1-20-18-31(15-13-28(20,2)23-10-6-11-24(32)17-23)19-22(16-21-8-4-3-5-9-21)26(33)30-25(27(34)35)12-7-14-29/h3-6,8-11,17,20,22,25,32H,7,12-16,18-19,29H2,1-2H3,(H,30,33)(H,34,35)
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0.410n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86964
PNG
(2-((S)-2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NCC(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)
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0.470n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86968
PNG
((S)-6-amino-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CCCCN)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C29H41N3O4/c1-21-19-32(16-14-29(21,2)24-11-8-12-25(33)18-24)20-23(17-22-9-4-3-5-10-22)27(34)31-26(28(35)36)13-6-7-15-30/h3-5,8-12,18,21,23,26,33H,6-7,13-17,19-20,30H2,1-2H3,(H,31,34)(H,35,36)
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0.5n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86969
PNG
((R)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)
Show SMILES CC(NC(=O)C(CN1CCC(C)(C(C)C1)c1cccc(O)c1)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H34N2O4/c1-18-16-28(13-12-26(18,3)22-10-7-11-23(29)15-22)17-21(14-20-8-5-4-6-9-20)24(30)27-19(2)25(31)32/h4-11,15,18-19,21,29H,12-14,16-17H2,1-3H3,(H,27,30)(H,31,32)
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0.630n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86981
PNG
((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C32H38N2O4/c1-23-21-34(17-16-32(23,2)27-14-9-15-28(35)20-27)22-26(18-24-10-5-3-6-11-24)30(36)33-29(31(37)38)19-25-12-7-4-8-13-25/h3-15,20,23,26,29,35H,16-19,21-22H2,1-2H3,(H,33,36)(H,37,38)
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1.70n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86961
PNG
((S)-2-{(S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxy-phenyl...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(Cc2ccc(cc2)-c2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C38H42N2O4/c1-27-25-40(21-20-38(27,2)33-14-9-15-34(41)24-33)26-32(22-28-10-5-3-6-11-28)36(42)39-35(37(43)44)23-29-16-18-31(19-17-29)30-12-7-4-8-13-30/h3-19,24,27,32,35,41H,20-23,25-26H2,1-2H3,(H,39,42)(H,43,44)
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1.90n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86974
PNG
((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(Cc2ccc3ccccc3c2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C36H40N2O4/c1-25-23-38(18-17-36(25,2)31-13-8-14-32(39)22-31)24-30(19-26-9-4-3-5-10-26)34(40)37-33(35(41)42)21-27-15-16-28-11-6-7-12-29(28)20-27/h3-16,20,22,25,30,33,39H,17-19,21,23-24H2,1-2H3,(H,37,40)(H,41,42)
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2n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86978
PNG
((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(Cc2cccc3ccccc23)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C36H40N2O4/c1-25-23-38(19-18-36(25,2)30-15-9-16-31(39)22-30)24-29(20-26-10-4-3-5-11-26)34(40)37-33(35(41)42)21-28-14-8-13-27-12-6-7-17-32(27)28/h3-17,22,25,29,33,39H,18-21,23-24H2,1-2H3,(H,37,40)(H,41,42)
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2.70n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86969
PNG
((R)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)
Show SMILES CC(NC(=O)C(CN1CCC(C)(C(C)C1)c1cccc(O)c1)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H34N2O4/c1-18-16-28(13-12-26(18,3)22-10-7-11-23(29)15-22)17-21(14-20-8-5-4-6-9-20)24(30)27-19(2)25(31)32/h4-11,15,18-19,21,29H,12-14,16-17H2,1-3H3,(H,27,30)(H,31,32)
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2.90n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86974
PNG
((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(Cc2ccc3ccccc3c2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C36H40N2O4/c1-25-23-38(18-17-36(25,2)31-13-8-14-32(39)22-31)24-30(19-26-9-4-3-5-10-26)34(40)37-33(35(41)42)21-27-15-16-28-11-6-7-12-29(28)20-27/h3-16,20,22,25,30,33,39H,17-19,21,23-24H2,1-2H3,(H,37,40)(H,41,42)
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3.20n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86260
PNG
(CAS_465-65-6 | NALOXONE | NSC_10064 | Naloxone(-))
Show SMILES Oc1ccc2CC3N(CC=C)CCC45C(Oc1c24)C(=O)CCC35O |TLB:21:22:7.11.12:5.4.17,THB:23:22:7.11.12:5.4.17|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2
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3.70n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86963
PNG
((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CCc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C33H40N2O4/c1-24-22-35(19-18-33(24,2)28-14-9-15-29(36)21-28)23-27(20-26-12-7-4-8-13-26)31(37)34-30(32(38)39)17-16-25-10-5-3-6-11-25/h3-15,21,24,27,30,36H,16-20,22-23H2,1-2H3,(H,34,37)(H,38,39)
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4.70n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86962
PNG
((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CC(O)=O)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C27H34N2O6/c1-18-16-29(12-11-27(18,2)21-9-6-10-22(30)14-21)17-20(13-19-7-4-3-5-8-19)25(33)28-23(26(34)35)15-24(31)32/h3-10,14,18,20,23,30H,11-13,15-17H2,1-2H3,(H,28,33)(H,31,32)(H,34,35)
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7.30n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86961
PNG
((S)-2-{(S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxy-phenyl...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(Cc2ccc(cc2)-c2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C38H42N2O4/c1-27-25-40(21-20-38(27,2)33-14-9-15-34(41)24-33)26-32(22-28-10-5-3-6-11-28)36(42)39-35(37(43)44)23-29-16-18-31(19-17-29)30-12-7-4-8-13-30/h3-19,24,27,32,35,41H,20-23,25-26H2,1-2H3,(H,39,42)(H,43,44)
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8.30n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86260
PNG
(CAS_465-65-6 | NALOXONE | NSC_10064 | Naloxone(-))
Show SMILES Oc1ccc2CC3N(CC=C)CCC45C(Oc1c24)C(=O)CCC35O |TLB:21:22:7.11.12:5.4.17,THB:23:22:7.11.12:5.4.17|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2
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9.20n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86963
PNG
((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CCc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C33H40N2O4/c1-24-22-35(19-18-33(24,2)28-14-9-15-29(36)21-28)23-27(20-26-12-7-4-8-13-26)31(37)34-30(32(38)39)17-16-25-10-5-3-6-11-25/h3-15,21,24,27,30,36H,16-20,22-23H2,1-2H3,(H,34,37)(H,38,39)
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10n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86975
PNG
((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CCC(O)=O)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C28H36N2O6/c1-19-17-30(14-13-28(19,2)22-9-6-10-23(31)16-22)18-21(15-20-7-4-3-5-8-20)26(34)29-24(27(35)36)11-12-25(32)33/h3-10,16,19,21,24,31H,11-15,17-18H2,1-2H3,(H,29,34)(H,32,33)(H,35,36)
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11n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86983
PNG
((S)-3-cyclohexyl-2-((S)-2-(((3R,4R)-4-(3-hydroxyph...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CC2CCCCC2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C32H44N2O4/c1-23-21-34(17-16-32(23,2)27-14-9-15-28(35)20-27)22-26(18-24-10-5-3-6-11-24)30(36)33-29(31(37)38)19-25-12-7-4-8-13-25/h3,5-6,9-11,14-15,20,23,25-26,29,35H,4,7-8,12-13,16-19,21-22H2,1-2H3,(H,33,36)(H,37,38)
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11n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86964
PNG
(2-((S)-2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NCC(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)
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12n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86972
PNG
((S)-2-(N-(3-chlorobenzyl)-3-((3R,4R)-4-(3-hydroxyp...)
Show SMILES CC1CN(CCC(=O)N(Cc2cccc(Cl)c2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C32H37ClN2O4/c1-23-21-34(17-15-32(23,2)26-11-7-13-28(36)20-26)16-14-30(37)35(22-25-10-6-12-27(33)18-25)29(31(38)39)19-24-8-4-3-5-9-24/h3-13,18,20,23,29,36H,14-17,19,21-22H2,1-2H3,(H,38,39)
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15n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86981
PNG
((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C32H38N2O4/c1-23-21-34(17-16-32(23,2)27-14-9-15-28(35)20-27)22-26(18-24-10-5-3-6-11-24)30(36)33-29(31(37)38)19-25-12-7-4-8-13-25/h3-15,20,23,26,29,35H,16-19,21-22H2,1-2H3,(H,33,36)(H,37,38)
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15n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86983
PNG
((S)-3-cyclohexyl-2-((S)-2-(((3R,4R)-4-(3-hydroxyph...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CC2CCCCC2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C32H44N2O4/c1-23-21-34(17-16-32(23,2)27-14-9-15-28(35)20-27)22-26(18-24-10-5-3-6-11-24)30(36)33-29(31(37)38)19-25-12-7-4-8-13-25/h3,5-6,9-11,14-15,20,23,25-26,29,35H,4,7-8,12-13,16-19,21-22H2,1-2H3,(H,33,36)(H,37,38)
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15n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86977
PNG
((S)-2-(N-ethyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-...)
Show SMILES CCN(C(Cc1ccccc1)C(O)=O)C(=O)CCN1CCC(C)(C(C)C1)c1cccc(O)c1
Show InChI InChI=1S/C27H36N2O4/c1-4-29(24(26(32)33)17-21-9-6-5-7-10-21)25(31)13-15-28-16-14-27(3,20(2)19-28)22-11-8-12-23(30)18-22/h5-12,18,20,24,30H,4,13-17,19H2,1-3H3,(H,32,33)
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19n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86958
PNG
((S)-3-cyclohexyl-2-(3-((3R,4R)-4-(3-hydroxyphenyl)...)
Show SMILES CC1CN(CCC(=O)NC(CC2CCCCC2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C25H38N2O4/c1-18-17-27(14-12-25(18,2)20-9-6-10-21(28)16-20)13-11-23(29)26-22(24(30)31)15-19-7-4-3-5-8-19/h6,9-10,16,18-19,22,28H,3-5,7-8,11-15,17H2,1-2H3,(H,26,29)(H,30,31)
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20n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86969
PNG
((R)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)
Show SMILES CC(NC(=O)C(CN1CCC(C)(C(C)C1)c1cccc(O)c1)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H34N2O4/c1-18-16-28(13-12-26(18,3)22-10-7-11-23(29)15-22)17-21(14-20-8-5-4-6-9-20)24(30)27-19(2)25(31)32/h4-11,15,18-19,21,29H,12-14,16-17H2,1-3H3,(H,27,30)(H,31,32)
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22n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86966
PNG
((S)-2-(N-(cyclopropylmethyl)-3-((3R,4R)-4-(3-hydro...)
Show SMILES CC1CN(CCC(=O)N(CC2CC2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C29H38N2O4/c1-21-19-30(16-14-29(21,2)24-9-6-10-25(32)18-24)15-13-27(33)31(20-23-11-12-23)26(28(34)35)17-22-7-4-3-5-8-22/h3-10,18,21,23,26,32H,11-17,19-20H2,1-2H3,(H,34,35)
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22n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86980
PNG
((S)-2-(N-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4...)
Show SMILES CC1CN(CCC(=O)N(Cc2ccccc2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C32H38N2O4/c1-24-22-33(19-17-32(24,2)27-14-9-15-28(35)21-27)18-16-30(36)34(23-26-12-7-4-8-13-26)29(31(37)38)20-25-10-5-3-6-11-25/h3-15,21,24,29,35H,16-20,22-23H2,1-2H3,(H,37,38)
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23n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86972
PNG
((S)-2-(N-(3-chlorobenzyl)-3-((3R,4R)-4-(3-hydroxyp...)
Show SMILES CC1CN(CCC(=O)N(Cc2cccc(Cl)c2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C32H37ClN2O4/c1-23-21-34(17-15-32(23,2)26-11-7-13-28(36)20-26)16-14-30(37)35(22-25-10-6-12-27(33)18-25)29(31(38)39)19-24-8-4-3-5-9-24/h3-13,18,20,23,29,36H,14-17,19,21-22H2,1-2H3,(H,38,39)
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24n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86971
PNG
((S)-2-(3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl...)
Show SMILES CC(C)CN(C(Cc1ccccc1)C(O)=O)C(=O)CCN1CCC(C)(C(C)C1)c1cccc(O)c1
Show InChI InChI=1S/C29H40N2O4/c1-21(2)19-31(26(28(34)35)17-23-9-6-5-7-10-23)27(33)13-15-30-16-14-29(4,22(3)20-30)24-11-8-12-25(32)18-24/h5-12,18,21-22,26,32H,13-17,19-20H2,1-4H3,(H,34,35)
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28n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86971
PNG
((S)-2-(3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl...)
Show SMILES CC(C)CN(C(Cc1ccccc1)C(O)=O)C(=O)CCN1CCC(C)(C(C)C1)c1cccc(O)c1
Show InChI InChI=1S/C29H40N2O4/c1-21(2)19-31(26(28(34)35)17-23-9-6-5-7-10-23)27(33)13-15-30-16-14-29(4,22(3)20-30)24-11-8-12-25(32)18-24/h5-12,18,21-22,26,32H,13-17,19-20H2,1-4H3,(H,34,35)
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29n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86978
PNG
((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(Cc2cccc3ccccc23)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C36H40N2O4/c1-25-23-38(19-18-36(25,2)30-15-9-16-31(39)22-30)24-29(20-26-10-4-3-5-11-26)34(40)37-33(35(41)42)21-28-14-8-13-27-12-6-7-17-32(27)28/h3-17,22,25,29,33,39H,18-21,23-24H2,1-2H3,(H,37,40)(H,41,42)
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31n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86970
PNG
((S)-2-(3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl...)
Show SMILES CC1CN(CCC(=O)N(C(Cc2ccccc2)C(O)=O)c2ccccc2)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C31H36N2O4/c1-23-22-32(19-17-31(23,2)25-12-9-15-27(34)21-25)18-16-29(35)33(26-13-7-4-8-14-26)28(30(36)37)20-24-10-5-3-6-11-24/h3-15,21,23,28,34H,16-20,22H2,1-2H3,(H,36,37)
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32n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86260
PNG
(CAS_465-65-6 | NALOXONE | NSC_10064 | Naloxone(-))
Show SMILES Oc1ccc2CC3N(CC=C)CCC45C(Oc1c24)C(=O)CCC35O |TLB:21:22:7.11.12:5.4.17,THB:23:22:7.11.12:5.4.17|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2
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33n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86979
PNG
((S)-2-(3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl...)
Show SMILES CC1CN(CCC(=O)NC(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C25H32N2O4/c1-18-17-27(14-12-25(18,2)20-9-6-10-21(28)16-20)13-11-23(29)26-22(24(30)31)15-19-7-4-3-5-8-19/h3-10,16,18,22,28H,11-15,17H2,1-2H3,(H,26,29)(H,30,31)
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36n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86980
PNG
((S)-2-(N-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4...)
Show SMILES CC1CN(CCC(=O)N(Cc2ccccc2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C32H38N2O4/c1-24-22-33(19-17-32(24,2)27-14-9-15-28(35)21-27)18-16-30(36)34(23-26-12-7-4-8-13-26)29(31(37)38)20-25-10-5-3-6-11-25/h3-15,21,24,29,35H,16-20,22-23H2,1-2H3,(H,37,38)
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39n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86960
PNG
((S)-2-(biphenyl-4-ylmethyl-{3-[(3R,4R)-4-(3-hydrox...)
Show SMILES CC1CN(CCC(=O)N(Cc2ccc(cc2)-c2ccccc2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C38H42N2O4/c1-28-26-39(23-21-38(28,2)33-14-9-15-34(41)25-33)22-20-36(42)40(35(37(43)44)24-29-10-5-3-6-11-29)27-30-16-18-32(19-17-30)31-12-7-4-8-13-31/h3-19,25,28,35,41H,20-24,26-27H2,1-2H3,(H,43,44)
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52n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86982
PNG
((S)-2-(3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl...)
Show SMILES CC1CN(CCC(=O)NC(CCc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C26H34N2O4/c1-19-18-28(16-14-26(19,2)21-9-6-10-22(29)17-21)15-13-24(30)27-23(25(31)32)12-11-20-7-4-3-5-8-20/h3-10,17,19,23,29H,11-16,18H2,1-2H3,(H,27,30)(H,31,32)
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58n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86973
PNG
((S)-2-(3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl...)
Show SMILES CC1CN(CCC(=O)N(CCc2ccccc2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C33H40N2O4/c1-25-24-34(21-18-33(25,2)28-14-9-15-29(36)23-28)19-17-31(37)35(20-16-26-10-5-3-6-11-26)30(32(38)39)22-27-12-7-4-8-13-27/h3-15,23,25,30,36H,16-22,24H2,1-2H3,(H,38,39)
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63n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86973
PNG
((S)-2-(3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl...)
Show SMILES CC1CN(CCC(=O)N(CCc2ccccc2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C33H40N2O4/c1-25-24-34(21-18-33(25,2)28-14-9-15-29(36)23-28)19-17-31(37)35(20-16-26-10-5-3-6-11-26)30(32(38)39)22-27-12-7-4-8-13-27/h3-15,23,25,30,36H,16-22,24H2,1-2H3,(H,38,39)
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66n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86959
PNG
((S)-2-(3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl...)
Show SMILES CC1CN(CCC(=O)N(C)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C26H34N2O4/c1-19-18-28(15-13-26(19,2)21-10-7-11-22(29)17-21)14-12-24(30)27(3)23(25(31)32)16-20-8-5-4-6-9-20/h4-11,17,19,23,29H,12-16,18H2,1-3H3,(H,31,32)
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66n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86969
PNG
((R)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)
Show SMILES CC(NC(=O)C(CN1CCC(C)(C(C)C1)c1cccc(O)c1)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H34N2O4/c1-18-16-28(13-12-26(18,3)22-10-7-11-23(29)15-22)17-21(14-20-8-5-4-6-9-20)24(30)27-19(2)25(31)32/h4-11,15,18-19,21,29H,12-14,16-17H2,1-3H3,(H,27,30)(H,31,32)
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67n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86970
PNG
((S)-2-(3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl...)
Show SMILES CC1CN(CCC(=O)N(C(Cc2ccccc2)C(O)=O)c2ccccc2)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C31H36N2O4/c1-23-22-32(19-17-31(23,2)25-12-9-15-27(34)21-25)18-16-29(35)33(26-13-7-4-8-14-26)28(30(36)37)20-24-10-5-3-6-11-24/h3-15,21,23,28,34H,16-20,22H2,1-2H3,(H,36,37)
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67n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86960
PNG
((S)-2-(biphenyl-4-ylmethyl-{3-[(3R,4R)-4-(3-hydrox...)
Show SMILES CC1CN(CCC(=O)N(Cc2ccc(cc2)-c2ccccc2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C38H42N2O4/c1-28-26-39(23-21-38(28,2)33-14-9-15-34(41)25-33)22-20-36(42)40(35(37(43)44)24-29-10-5-3-6-11-29)27-30-16-18-32(19-17-30)31-12-7-4-8-13-31/h3-19,25,28,35,41H,20-24,26-27H2,1-2H3,(H,43,44)
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74n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86967
PNG
((S)-3-biphenyl-4-yl-2-{3-[(3R,4R)-4-(3-hydroxy-phe...)
Show SMILES CC1CN(CCC(=O)NC(Cc2ccc(cc2)-c2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C31H36N2O4/c1-22-21-33(18-16-31(22,2)26-9-6-10-27(34)20-26)17-15-29(35)32-28(30(36)37)19-23-11-13-25(14-12-23)24-7-4-3-5-8-24/h3-14,20,22,28,34H,15-19,21H2,1-2H3,(H,32,35)(H,36,37)
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80n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86978
PNG
((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(Cc2cccc3ccccc23)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C36H40N2O4/c1-25-23-38(19-18-36(25,2)30-15-9-16-31(39)22-30)24-29(20-26-10-4-3-5-11-26)34(40)37-33(35(41)42)21-28-14-8-13-27-12-6-7-17-32(27)28/h3-17,22,25,29,33,39H,18-21,23-24H2,1-2H3,(H,37,40)(H,41,42)
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83n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86966
PNG
((S)-2-(N-(cyclopropylmethyl)-3-((3R,4R)-4-(3-hydro...)
Show SMILES CC1CN(CCC(=O)N(CC2CC2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C29H38N2O4/c1-21-19-30(16-14-29(21,2)24-9-6-10-25(32)18-24)15-13-27(33)31(20-23-11-12-23)26(28(34)35)17-22-7-4-3-5-8-22/h3-10,18,21,23,26,32H,11-17,19-20H2,1-2H3,(H,34,35)
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100n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86964
PNG
(2-((S)-2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NCC(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)
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100n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86967
PNG
((S)-3-biphenyl-4-yl-2-{3-[(3R,4R)-4-(3-hydroxy-phe...)
Show SMILES CC1CN(CCC(=O)NC(Cc2ccc(cc2)-c2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C31H36N2O4/c1-22-21-33(18-16-31(22,2)26-9-6-10-27(34)20-26)17-15-29(35)32-28(30(36)37)19-23-11-13-25(14-12-23)24-7-4-3-5-8-24/h3-14,20,22,28,34H,15-19,21H2,1-2H3,(H,32,35)(H,36,37)
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160n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86961
PNG
((S)-2-{(S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxy-phenyl...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(Cc2ccc(cc2)-c2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C38H42N2O4/c1-27-25-40(21-20-38(27,2)33-14-9-15-34(41)24-33)26-32(22-28-10-5-3-6-11-28)36(42)39-35(37(43)44)23-29-16-18-31(19-17-29)30-12-7-4-8-13-30/h3-19,24,27,32,35,41H,20-23,25-26H2,1-2H3,(H,39,42)(H,43,44)
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160n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86958
PNG
((S)-3-cyclohexyl-2-(3-((3R,4R)-4-(3-hydroxyphenyl)...)
Show SMILES CC1CN(CCC(=O)NC(CC2CCCCC2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C25H38N2O4/c1-18-17-27(14-12-25(18,2)20-9-6-10-21(28)16-20)13-11-23(29)26-22(24(30)31)15-19-7-4-3-5-8-19/h6,9-10,16,18-19,22,28H,3-5,7-8,11-15,17H2,1-2H3,(H,26,29)(H,30,31)
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170n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86965
PNG
((S)-5-amino-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CCCN)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C28H39N3O4/c1-20-18-31(15-13-28(20,2)23-10-6-11-24(32)17-23)19-22(16-21-8-4-3-5-9-21)26(33)30-25(27(34)35)12-7-14-29/h3-6,8-11,17,20,22,25,32H,7,12-16,18-19,29H2,1-2H3,(H,30,33)(H,34,35)
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200n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86960
PNG
((S)-2-(biphenyl-4-ylmethyl-{3-[(3R,4R)-4-(3-hydrox...)
Show SMILES CC1CN(CCC(=O)N(Cc2ccc(cc2)-c2ccccc2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C38H42N2O4/c1-28-26-39(23-21-38(28,2)33-14-9-15-34(41)25-33)22-20-36(42)40(35(37(43)44)24-29-10-5-3-6-11-29)27-30-16-18-32(19-17-30)31-12-7-4-8-13-31/h3-19,25,28,35,41H,20-24,26-27H2,1-2H3,(H,43,44)
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230n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86974
PNG
((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(Cc2ccc3ccccc3c2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C36H40N2O4/c1-25-23-38(18-17-36(25,2)31-13-8-14-32(39)22-31)24-30(19-26-9-4-3-5-10-26)34(40)37-33(35(41)42)21-27-15-16-28-11-6-7-12-29(28)20-27/h3-16,20,22,25,30,33,39H,17-19,21,23-24H2,1-2H3,(H,37,40)(H,41,42)
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240n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86981
PNG
((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C32H38N2O4/c1-23-21-34(17-16-32(23,2)27-14-9-15-28(35)20-27)22-26(18-24-10-5-3-6-11-24)30(36)33-29(31(37)38)19-25-12-7-4-8-13-25/h3-15,20,23,26,29,35H,16-19,21-22H2,1-2H3,(H,33,36)(H,37,38)
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250n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86982
PNG
((S)-2-(3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl...)
Show SMILES CC1CN(CCC(=O)NC(CCc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C26H34N2O4/c1-19-18-28(16-14-26(19,2)21-9-6-10-22(29)17-21)15-13-24(30)27-23(25(31)32)12-11-20-7-4-3-5-8-20/h3-10,17,19,23,29H,11-16,18H2,1-2H3,(H,27,30)(H,31,32)
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360n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86975
PNG
((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CCC(O)=O)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C28H36N2O6/c1-19-17-30(14-13-28(19,2)22-9-6-10-23(31)16-22)18-21(15-20-7-4-3-5-8-20)26(34)29-24(27(35)36)11-12-25(32)33/h3-10,16,19,21,24,31H,11-15,17-18H2,1-2H3,(H,29,34)(H,32,33)(H,35,36)
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360n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86972
PNG
((S)-2-(N-(3-chlorobenzyl)-3-((3R,4R)-4-(3-hydroxyp...)
Show SMILES CC1CN(CCC(=O)N(Cc2cccc(Cl)c2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C32H37ClN2O4/c1-23-21-34(17-15-32(23,2)26-11-7-13-28(36)20-26)16-14-30(37)35(22-25-10-6-12-27(33)18-25)29(31(38)39)19-24-8-4-3-5-9-24/h3-13,18,20,23,29,36H,14-17,19,21-22H2,1-2H3,(H,38,39)
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460n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86962
PNG
((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CC(O)=O)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C27H34N2O6/c1-18-16-29(12-11-27(18,2)21-9-6-10-22(30)14-21)17-20(13-19-7-4-3-5-8-19)25(33)28-23(26(34)35)15-24(31)32/h3-10,14,18,20,23,30H,11-13,15-17H2,1-2H3,(H,28,33)(H,31,32)(H,34,35)
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500n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86963
PNG
((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CCc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C33H40N2O4/c1-24-22-35(19-18-33(24,2)28-14-9-15-29(36)21-28)23-27(20-26-12-7-4-8-13-26)31(37)34-30(32(38)39)17-16-25-10-5-3-6-11-25/h3-15,21,24,27,30,36H,16-20,22-23H2,1-2H3,(H,34,37)(H,38,39)
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510n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86977
PNG
((S)-2-(N-ethyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-...)
Show SMILES CCN(C(Cc1ccccc1)C(O)=O)C(=O)CCN1CCC(C)(C(C)C1)c1cccc(O)c1
Show InChI InChI=1S/C27H36N2O4/c1-4-29(24(26(32)33)17-21-9-6-5-7-10-21)25(31)13-15-28-16-14-27(3,20(2)19-28)22-11-8-12-23(30)18-22/h5-12,18,20,24,30H,4,13-17,19H2,1-3H3,(H,32,33)
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510n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86965
PNG
((S)-5-amino-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CCCN)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C28H39N3O4/c1-20-18-31(15-13-28(20,2)23-10-6-11-24(32)17-23)19-22(16-21-8-4-3-5-9-21)26(33)30-25(27(34)35)12-7-14-29/h3-6,8-11,17,20,22,25,32H,7,12-16,18-19,29H2,1-2H3,(H,30,33)(H,34,35)
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510n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86980
PNG
((S)-2-(N-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4...)
Show SMILES CC1CN(CCC(=O)N(Cc2ccccc2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C32H38N2O4/c1-24-22-33(19-17-32(24,2)27-14-9-15-28(35)21-27)18-16-30(36)34(23-26-12-7-4-8-13-26)29(31(37)38)20-25-10-5-3-6-11-25/h3-15,21,24,29,35H,16-20,22-23H2,1-2H3,(H,37,38)
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550n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86968
PNG
((S)-6-amino-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CCCCN)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C29H41N3O4/c1-21-19-32(16-14-29(21,2)24-11-8-12-25(33)18-24)20-23(17-22-9-4-3-5-10-22)27(34)31-26(28(35)36)13-6-7-15-30/h3-5,8-12,18,21,23,26,33H,6-7,13-17,19-20,30H2,1-2H3,(H,31,34)(H,35,36)
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580n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86959
PNG
((S)-2-(3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl...)
Show SMILES CC1CN(CCC(=O)N(C)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C26H34N2O4/c1-19-18-28(15-13-26(19,2)21-10-7-11-22(29)17-21)14-12-24(30)27(3)23(25(31)32)16-20-8-5-4-6-9-20/h4-11,17,19,23,29H,12-16,18H2,1-3H3,(H,31,32)
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620n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86982
PNG
((S)-2-(3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl...)
Show SMILES CC1CN(CCC(=O)NC(CCc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C26H34N2O4/c1-19-18-28(16-14-26(19,2)21-9-6-10-22(29)17-21)15-13-24(30)27-23(25(31)32)12-11-20-7-4-3-5-8-20/h3-10,17,19,23,29H,11-16,18H2,1-2H3,(H,27,30)(H,31,32)
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690n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86983
PNG
((S)-3-cyclohexyl-2-((S)-2-(((3R,4R)-4-(3-hydroxyph...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CC2CCCCC2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C32H44N2O4/c1-23-21-34(17-16-32(23,2)27-14-9-15-28(35)20-27)22-26(18-24-10-5-3-6-11-24)30(36)33-29(31(37)38)19-25-12-7-4-8-13-25/h3,5-6,9-11,14-15,20,23,25-26,29,35H,4,7-8,12-13,16-19,21-22H2,1-2H3,(H,33,36)(H,37,38)
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720n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86969
PNG
((R)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)
Show SMILES CC(NC(=O)C(CN1CCC(C)(C(C)C1)c1cccc(O)c1)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H34N2O4/c1-18-16-28(13-12-26(18,3)22-10-7-11-23(29)15-22)17-21(14-20-8-5-4-6-9-20)24(30)27-19(2)25(31)32/h4-11,15,18-19,21,29H,12-14,16-17H2,1-3H3,(H,27,30)(H,31,32)
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910n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86979
PNG
((S)-2-(3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl...)
Show SMILES CC1CN(CCC(=O)NC(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C25H32N2O4/c1-18-17-27(14-12-25(18,2)20-9-6-10-21(28)16-20)13-11-23(29)26-22(24(30)31)15-19-7-4-3-5-8-19/h3-10,16,18,22,28H,11-15,17H2,1-2H3,(H,26,29)(H,30,31)
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990n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86967
PNG
((S)-3-biphenyl-4-yl-2-{3-[(3R,4R)-4-(3-hydroxy-phe...)
Show SMILES CC1CN(CCC(=O)NC(Cc2ccc(cc2)-c2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C31H36N2O4/c1-22-21-33(18-16-31(22,2)26-9-6-10-27(34)20-26)17-15-29(35)32-28(30(36)37)19-23-11-13-25(14-12-23)24-7-4-3-5-8-24/h3-14,20,22,28,34H,15-19,21H2,1-2H3,(H,32,35)(H,36,37)
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1.10E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86973
PNG
((S)-2-(3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl...)
Show SMILES CC1CN(CCC(=O)N(CCc2ccccc2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C33H40N2O4/c1-25-24-34(21-18-33(25,2)28-14-9-15-29(36)23-28)19-17-31(37)35(20-16-26-10-5-3-6-11-26)30(32(38)39)22-27-12-7-4-8-13-27/h3-15,23,25,30,36H,16-22,24H2,1-2H3,(H,38,39)
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1.20E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86970
PNG
((S)-2-(3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl...)
Show SMILES CC1CN(CCC(=O)N(C(Cc2ccccc2)C(O)=O)c2ccccc2)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C31H36N2O4/c1-23-22-32(19-17-31(23,2)25-12-9-15-27(34)21-25)18-16-29(35)33(26-13-7-4-8-14-26)28(30(36)37)20-24-10-5-3-6-11-24/h3-15,21,23,28,34H,16-20,22H2,1-2H3,(H,36,37)
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1.40E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86968
PNG
((S)-6-amino-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)...)
Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CCCCN)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C29H41N3O4/c1-21-19-32(16-14-29(21,2)24-11-8-12-25(33)18-24)20-23(17-22-9-4-3-5-10-22)27(34)31-26(28(35)36)13-6-7-15-30/h3-5,8-12,18,21,23,26,33H,6-7,13-17,19-20,30H2,1-2H3,(H,31,34)(H,35,36)
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1.50E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86966
PNG
((S)-2-(N-(cyclopropylmethyl)-3-((3R,4R)-4-(3-hydro...)
Show SMILES CC1CN(CCC(=O)N(CC2CC2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C29H38N2O4/c1-21-19-30(16-14-29(21,2)24-9-6-10-25(32)18-24)15-13-27(33)31(20-23-11-12-23)26(28(34)35)17-22-7-4-3-5-8-22/h3-10,18,21,23,26,32H,11-17,19-20H2,1-2H3,(H,34,35)
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2.20E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86971
PNG
((S)-2-(3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl...)
Show SMILES CC(C)CN(C(Cc1ccccc1)C(O)=O)C(=O)CCN1CCC(C)(C(C)C1)c1cccc(O)c1
Show InChI InChI=1S/C29H40N2O4/c1-21(2)19-31(26(28(34)35)17-23-9-6-5-7-10-23)27(33)13-15-30-16-14-29(4,22(3)20-30)24-11-8-12-25(32)18-24/h5-12,18,21-22,26,32H,13-17,19-20H2,1-4H3,(H,34,35)
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2.20E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%