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Compile Data Set for Download or QSAR

Found 162 hits with Last Name = 'martinez-teipel' and Initial = 'b'   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50207832
PNG
(CHEMBL247758 | H-Cdp-ala-Gly-Phe-leu-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)C(O)=O
Show InChI InChI=1S/C32H44N6O7/c1-17(2)11-26(32(44)45)38-31(43)25(14-21-9-7-6-8-10-21)37-27(39)16-35-29(41)20(5)36-30(42)24(33)15-23-18(3)12-22(28(34)40)13-19(23)4/h6-10,12-13,17,20,24-26H,11,14-16,33H2,1-5H3,(H2,34,40)(H,35,41)(H,36,42)(H,37,39)(H,38,43)(H,44,45)/t20-,24-,25-,26-/m0/s1
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0.780n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50207833
PNG
(CHEMBL246572 | H-Aba-ala-Gly-Phe-Met-OH)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(O)=O
Show InChI InChI=1S/C29H37N7O6S2/c1-16(33-26(39)19(30)12-18-8-9-20-23(14-18)44-29(31)36-20)25(38)32-15-24(37)34-22(13-17-6-4-3-5-7-17)27(40)35-21(28(41)42)10-11-43-2/h3-9,14,16,19,21-22H,10-13,15,30H2,1-2H3,(H2,31,36)(H,32,38)(H,33,39)(H,34,37)(H,35,40)(H,41,42)/t16-,19-,21-,22-/m0/s1
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1n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50207825
PNG
(CHEMBL246739 | H-Cdp-Gly-Gly-Phe-Leu-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)C(O)=O
Show InChI InChI=1S/C31H42N6O7/c1-17(2)10-25(31(43)44)37-30(42)24(13-20-8-6-5-7-9-20)36-27(39)16-34-26(38)15-35-29(41)23(32)14-22-18(3)11-21(28(33)40)12-19(22)4/h5-9,11-12,17,23-25H,10,13-16,32H2,1-4H3,(H2,33,40)(H,34,38)(H,35,41)(H,36,39)(H,37,42)(H,43,44)/t23-,24-,25-/m0/s1
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1n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50207830
PNG
(CHEMBL247760 | H-Cdp-ser-Gly-Phe-Leu-Thr-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C36H51N7O10/c1-18(2)11-26(35(51)43-30(21(5)45)36(52)53)41-34(50)27(14-22-9-7-6-8-10-22)40-29(46)16-39-33(49)28(17-44)42-32(48)25(37)15-24-19(3)12-23(31(38)47)13-20(24)4/h6-10,12-13,18,21,25-28,30,44-45H,11,14-17,37H2,1-5H3,(H2,38,47)(H,39,49)(H,40,46)(H,41,50)(H,42,48)(H,43,51)(H,52,53)/t21-,25+,26+,27+,28+,30+/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50207822
PNG
(CHEMBL246956 | H-Cpa-Gly-Gly-Phe-Met-NH2)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(cc1)C(N)=O)C(N)=O
Show InChI InChI=1S/C28H37N7O6S/c1-42-12-11-21(26(31)39)35-28(41)22(14-17-5-3-2-4-6-17)34-24(37)16-32-23(36)15-33-27(40)20(29)13-18-7-9-19(10-8-18)25(30)38/h2-10,20-22H,11-16,29H2,1H3,(H2,30,38)(H2,31,39)(H,32,36)(H,33,40)(H,34,37)(H,35,41)/t20-,21-,22-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50207831
PNG
(CHEMBL391580 | H-Cpa-Gly-Gly-Phe-Met-OH)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(cc1)C(N)=O)C(O)=O
Show InChI InChI=1S/C28H36N6O7S/c1-42-12-11-21(28(40)41)34-27(39)22(14-17-5-3-2-4-6-17)33-24(36)16-31-23(35)15-32-26(38)20(29)13-18-7-9-19(10-8-18)25(30)37/h2-10,20-22H,11-16,29H2,1H3,(H2,30,37)(H,31,35)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t20-,21-,22-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50019056
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1
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2n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21008
PNG
((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50268463
PNG
(CHEMBL502411 | c[L-Phe-D-pro-L-Phe-D-trp])
Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12 |r|
Show InChI InChI=1S/C34H35N5O4/c40-31-27(18-22-10-3-1-4-11-22)37-33(42)30-16-9-17-39(30)34(43)29(19-23-12-5-2-6-13-23)38-32(41)28(36-31)20-24-21-35-26-15-8-7-14-25(24)26/h1-8,10-15,21,27-30,35H,9,16-20H2,(H,36,40)(H,37,42)(H,38,41)/t27-,28+,29-,30+/m0/s1
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3.80n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50207835
PNG
(CHEMBL246479 | H-Aba-ser-Gly-Phe-Leu-Thr-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C34H46N8O9S/c1-17(2)11-23(32(49)42-28(18(3)44)33(50)51)39-31(48)24(13-19-7-5-4-6-8-19)38-27(45)15-37-30(47)25(16-43)40-29(46)21(35)12-20-9-10-22-26(14-20)52-34(36)41-22/h4-10,14,17-18,21,23-25,28,43-44H,11-13,15-16,35H2,1-3H3,(H2,36,41)(H,37,47)(H,38,45)(H,39,48)(H,40,46)(H,42,49)(H,50,51)/t18-,21+,23+,24+,25+,28+/m1/s1
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3.80n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50268531
PNG
(CHEMBL499595 | c[L-Ala-D-pro-L-Phe-D-trp])
Show SMILES C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O |r|
Show InChI InChI=1S/C28H31N5O4/c1-17-28(37)33-13-7-12-24(33)27(36)32-22(14-18-8-3-2-4-9-18)26(35)31-23(25(34)30-17)15-19-16-29-21-11-6-5-10-20(19)21/h2-6,8-11,16-17,22-24,29H,7,12-15H2,1H3,(H,30,34)(H,31,35)(H,32,36)/t17-,22-,23+,24+/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50207825
PNG
(CHEMBL246739 | H-Cdp-Gly-Gly-Phe-Leu-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)C(O)=O
Show InChI InChI=1S/C31H42N6O7/c1-17(2)10-25(31(43)44)37-30(42)24(13-20-8-6-5-7-9-20)36-27(39)16-34-26(38)15-35-29(41)23(32)14-22-18(3)11-21(28(33)40)12-19(22)4/h5-9,11-12,17,23-25H,10,13-16,32H2,1-4H3,(H2,33,40)(H,34,38)(H,35,41)(H,36,39)(H,37,42)(H,43,44)/t23-,24-,25-/m0/s1
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9.80n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50207832
PNG
(CHEMBL247758 | H-Cdp-ala-Gly-Phe-leu-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)C(O)=O
Show InChI InChI=1S/C32H44N6O7/c1-17(2)11-26(32(44)45)38-31(43)25(14-21-9-7-6-8-10-21)37-27(39)16-35-29(41)20(5)36-30(42)24(33)15-23-18(3)12-22(28(34)40)13-19(23)4/h6-10,12-13,17,20,24-26H,11,14-16,33H2,1-5H3,(H2,34,40)(H,35,41)(H,36,42)(H,37,39)(H,38,43)(H,44,45)/t20-,24-,25-,26-/m0/s1
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9.80n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50207823
PNG
(CHEMBL247368 | H-Tyr-Gly-Gly-Phe-Met-NH2)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C27H36N6O6S/c1-40-12-11-21(25(29)37)33-27(39)22(14-17-5-3-2-4-6-17)32-24(36)16-30-23(35)15-31-26(38)20(28)13-18-7-9-19(34)10-8-18/h2-10,20-22,34H,11-16,28H2,1H3,(H2,29,37)(H,30,35)(H,31,38)(H,32,36)(H,33,39)/t20-,21-,22-/m0/s1
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10n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50207821
PNG
(CHEMBL247064 | H-Aba-ala-Gly-Phe-leu-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(O)=O
Show InChI InChI=1S/C30H39N7O6S/c1-16(2)11-23(29(42)43)36-28(41)22(13-18-7-5-4-6-8-18)35-25(38)15-33-26(39)17(3)34-27(40)20(31)12-19-9-10-21-24(14-19)44-30(32)37-21/h4-10,14,16-17,20,22-23H,11-13,15,31H2,1-3H3,(H2,32,37)(H,33,39)(H,34,40)(H,35,38)(H,36,41)(H,42,43)/t17-,20-,22-,23-/m0/s1
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10n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50207823
PNG
(CHEMBL247368 | H-Tyr-Gly-Gly-Phe-Met-NH2)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C27H36N6O6S/c1-40-12-11-21(25(29)37)33-27(39)22(14-17-5-3-2-4-6-17)32-24(36)16-30-23(35)15-31-26(38)20(28)13-18-7-9-19(34)10-8-18/h2-10,20-22,34H,11-16,28H2,1H3,(H2,29,37)(H,30,35)(H,31,38)(H,32,36)(H,33,39)/t20-,21-,22-/m0/s1
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12n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50268526
PNG
(CHEMBL506211 | c[L-Phe-D-pro-L-Tyr(OMe)-D-trp])
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 |r|
Show InChI InChI=1S/C35H37N5O5/c1-45-25-15-13-23(14-16-25)18-28-32(41)37-29(20-24-21-36-27-11-6-5-10-26(24)27)33(42)39-30(19-22-8-3-2-4-9-22)35(44)40-17-7-12-31(40)34(43)38-28/h2-6,8-11,13-16,21,28-31,36H,7,12,17-20H2,1H3,(H,37,41)(H,38,43)(H,39,42)/t28-,29+,30-,31+/m0/s1
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14n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50207822
PNG
(CHEMBL246956 | H-Cpa-Gly-Gly-Phe-Met-NH2)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(cc1)C(N)=O)C(N)=O
Show InChI InChI=1S/C28H37N7O6S/c1-42-12-11-21(26(31)39)35-28(41)22(14-17-5-3-2-4-6-17)34-24(37)16-32-23(36)15-33-27(40)20(29)13-18-7-9-19(10-8-18)25(30)38/h2-10,20-22H,11-16,29H2,1H3,(H2,30,38)(H2,31,39)(H,32,36)(H,33,40)(H,34,37)(H,35,41)/t20-,21-,22-/m0/s1
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18n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50207824
PNG
(CHEMBL2372104 | H-Cpa-c[pen-Gly-Phe-pen]OH)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(cc2)C(N)=O)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C31H40N6O7S2/c1-30(2)23(36-26(40)20(32)14-18-10-12-19(13-11-18)25(33)39)28(42)34-16-22(38)35-21(15-17-8-6-5-7-9-17)27(41)37-24(29(43)44)31(3,4)46-45-30/h5-13,20-21,23-24H,14-16,32H2,1-4H3,(H2,33,39)(H,34,42)(H,35,38)(H,36,40)(H,37,41)(H,43,44)/t20-,21?,23-,24?/m1/s1
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19n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50019056
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1
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19n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50207836
PNG
(CHEMBL247759 | H-Aba-Gly-Gly-Phe-Leu-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(O)=O
Show InChI InChI=1S/C29H37N7O6S/c1-16(2)10-22(28(41)42)35-27(40)21(12-17-6-4-3-5-7-17)34-25(38)15-32-24(37)14-33-26(39)19(30)11-18-8-9-20-23(13-18)43-29(31)36-20/h3-9,13,16,19,21-22H,10-12,14-15,30H2,1-2H3,(H2,31,36)(H,32,37)(H,33,39)(H,34,38)(H,35,40)(H,41,42)/t19-,21-,22-/m0/s1
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19n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50207830
PNG
(CHEMBL247760 | H-Cdp-ser-Gly-Phe-Leu-Thr-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C36H51N7O10/c1-18(2)11-26(35(51)43-30(21(5)45)36(52)53)41-34(50)27(14-22-9-7-6-8-10-22)40-29(46)16-39-33(49)28(17-44)42-32(48)25(37)15-24-19(3)12-23(31(38)47)13-20(24)4/h6-10,12-13,18,21,25-28,30,44-45H,11,14-17,37H2,1-5H3,(H2,38,47)(H,39,49)(H,40,46)(H,41,50)(H,42,48)(H,43,51)(H,52,53)/t21-,25+,26+,27+,28+,30+/m1/s1
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19n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50207834
PNG
(CHEMBL247363 | H-Apa-ala-Gly-Phe-leu-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(N)cc1)C(O)=O
Show InChI InChI=1S/C29H40N6O6/c1-17(2)13-24(29(40)41)35-28(39)23(15-19-7-5-4-6-8-19)34-25(36)16-32-26(37)18(3)33-27(38)22(31)14-20-9-11-21(30)12-10-20/h4-12,17-18,22-24H,13-16,30-31H2,1-3H3,(H,32,37)(H,33,38)(H,34,36)(H,35,39)(H,40,41)/t18-,22-,23-,24-/m0/s1
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19n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50268524
PNG
(CHEMBL509201 | c[L-Phe-D-pro-L-mTyr-D-trp])
Show SMILES Oc1cccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)c1 |r|
Show InChI InChI=1S/C34H35N5O5/c40-24-11-6-10-22(16-24)18-27-31(41)36-28(19-23-20-35-26-13-5-4-12-25(23)26)32(42)38-29(17-21-8-2-1-3-9-21)34(44)39-15-7-14-30(39)33(43)37-27/h1-6,8-13,16,20,27-30,35,40H,7,14-15,17-19H2,(H,36,41)(H,37,43)(H,38,42)/t27-,28+,29-,30+/m0/s1
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20n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50268528
PNG
((3S,6R,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...)
Show SMILES Fc1ccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 |r|
Show InChI InChI=1S/C34H34FN5O4/c35-24-14-12-22(13-15-24)17-27-31(41)37-28(19-23-20-36-26-10-5-4-9-25(23)26)32(42)39-29(18-21-7-2-1-3-8-21)34(44)40-16-6-11-30(40)33(43)38-27/h1-5,7-10,12-15,20,27-30,36H,6,11,16-19H2,(H,37,41)(H,38,43)(H,39,42)/t27-,28+,29-,30+/m0/s1
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21n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50268531
PNG
(CHEMBL499595 | c[L-Ala-D-pro-L-Phe-D-trp])
Show SMILES C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O |r|
Show InChI InChI=1S/C28H31N5O4/c1-17-28(37)33-13-7-12-24(33)27(36)32-22(14-18-8-3-2-4-9-18)26(35)31-23(25(34)30-17)15-19-16-29-21-11-6-5-10-20(19)21/h2-6,8-11,16-17,22-24,29H,7,12-15H2,1H3,(H,30,34)(H,31,35)(H,32,36)/t17-,22-,23+,24+/m0/s1
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22n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50268527
PNG
((3S,6R,9S,14aR)-6-((1H-indol-3-yl)methyl)-3-benzyl...)
Show SMILES Fc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)cc1 |r|
Show InChI InChI=1S/C34H34FN5O4/c35-24-14-12-22(13-15-24)18-29-34(44)40-16-6-11-30(40)33(43)38-27(17-21-7-2-1-3-8-21)31(41)37-28(32(42)39-29)19-23-20-36-26-10-5-4-9-25(23)26/h1-5,7-10,12-15,20,27-30,36H,6,11,16-19H2,(H,37,41)(H,38,43)(H,39,42)/t27-,28+,29-,30+/m0/s1
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28n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50207831
PNG
(CHEMBL391580 | H-Cpa-Gly-Gly-Phe-Met-OH)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(cc1)C(N)=O)C(O)=O
Show InChI InChI=1S/C28H36N6O7S/c1-42-12-11-21(28(40)41)34-27(39)22(14-17-5-3-2-4-6-17)33-24(36)16-31-23(35)15-32-26(38)20(29)13-18-7-9-19(10-8-18)25(30)37/h2-10,20-22H,11-16,29H2,1H3,(H2,30,37)(H,31,35)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t20-,21-,22-/m0/s1
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28n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50268462
PNG
(CHEMBL506616 | c[L-Phe-D-pro-L-Phe-L-trp])
Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12 |r|
Show InChI InChI=1S/C34H35N5O4/c40-31-27(18-22-10-3-1-4-11-22)37-33(42)30-16-9-17-39(30)34(43)29(19-23-12-5-2-6-13-23)38-32(41)28(36-31)20-24-21-35-26-15-8-7-14-25(24)26/h1-8,10-15,21,27-30,35H,9,16-20H2,(H,36,40)(H,37,42)(H,38,41)/t27-,28-,29-,30+/m0/s1
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29n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50268463
PNG
(CHEMBL502411 | c[L-Phe-D-pro-L-Phe-D-trp])
Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12 |r|
Show InChI InChI=1S/C34H35N5O4/c40-31-27(18-22-10-3-1-4-11-22)37-33(42)30-16-9-17-39(30)34(43)29(19-23-12-5-2-6-13-23)38-32(41)28(36-31)20-24-21-35-26-15-8-7-14-25(24)26/h1-8,10-15,21,27-30,35H,9,16-20H2,(H,36,40)(H,37,42)(H,38,41)/t27-,28+,29-,30+/m0/s1
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30n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50268466
PNG
(CHEMBL510506 | c[L-mTyr-D-pro-L-Phe-D-trp])
Show SMILES Oc1cccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)c1 |r|
Show InChI InChI=1S/C34H35N5O5/c40-24-11-6-10-22(16-24)18-29-34(44)39-15-7-14-30(39)33(43)37-27(17-21-8-2-1-3-9-21)31(41)36-28(32(42)38-29)19-23-20-35-26-13-5-4-12-25(23)26/h1-6,8-13,16,20,27-30,35,40H,7,14-15,17-19H2,(H,36,41)(H,37,43)(H,38,42)/t27-,28+,29-,30+/m0/s1
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37n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50268524
PNG
(CHEMBL509201 | c[L-Phe-D-pro-L-mTyr-D-trp])
Show SMILES Oc1cccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)c1 |r|
Show InChI InChI=1S/C34H35N5O5/c40-24-11-6-10-22(16-24)18-27-31(41)36-28(19-23-20-35-26-13-5-4-12-25(23)26)32(42)38-29(17-21-8-2-1-3-9-21)34(44)39-15-7-14-30(39)33(43)37-27/h1-6,8-13,16,20,27-30,35,40H,7,14-15,17-19H2,(H,36,41)(H,37,43)(H,38,42)/t27-,28+,29-,30+/m0/s1
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40n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50207826
PNG
(CHEMBL393867 | H-mCpa-ser-Gly-Phe-Leu-Thr-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cccc(c1)C(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C34H47N7O10/c1-18(2)12-24(33(49)41-28(19(3)43)34(50)51)39-32(48)25(15-20-8-5-4-6-9-20)38-27(44)16-37-31(47)26(17-42)40-30(46)23(35)14-21-10-7-11-22(13-21)29(36)45/h4-11,13,18-19,23-26,28,42-43H,12,14-17,35H2,1-3H3,(H2,36,45)(H,37,47)(H,38,44)(H,39,48)(H,40,46)(H,41,49)(H,50,51)/t19-,23+,24+,25+,26+,28+/m1/s1
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42n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50268526
PNG
(CHEMBL506211 | c[L-Phe-D-pro-L-Tyr(OMe)-D-trp])
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 |r|
Show InChI InChI=1S/C35H37N5O5/c1-45-25-15-13-23(14-16-25)18-28-32(41)37-29(20-24-21-36-27-11-6-5-10-26(24)27)33(42)39-30(19-22-8-3-2-4-9-22)35(44)40-17-7-12-31(40)34(43)38-28/h2-6,8-11,13-16,21,28-31,36H,7,12,17-20H2,1H3,(H,37,41)(H,38,43)(H,39,42)/t28-,29+,30-,31+/m0/s1
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43n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50268528
PNG
((3S,6R,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...)
Show SMILES Fc1ccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 |r|
Show InChI InChI=1S/C34H34FN5O4/c35-24-14-12-22(13-15-24)17-27-31(41)37-28(19-23-20-36-26-10-5-4-9-25(23)26)32(42)39-29(18-21-7-2-1-3-8-21)34(44)40-16-6-11-30(40)33(43)38-27/h1-5,7-10,12-15,20,27-30,36H,6,11,16-19H2,(H,37,41)(H,38,43)(H,39,42)/t27-,28+,29-,30+/m0/s1
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48n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50268525
PNG
(CHEMBL507127 | c[L-Tyr(OMe)-D-pro-L-Phe-D-trp])
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)cc1 |r|
Show InChI InChI=1S/C35H37N5O5/c1-45-25-15-13-23(14-16-25)19-30-35(44)40-17-7-12-31(40)34(43)38-28(18-22-8-3-2-4-9-22)32(41)37-29(33(42)39-30)20-24-21-36-27-11-6-5-10-26(24)27/h2-6,8-11,13-16,21,28-31,36H,7,12,17-20H2,1H3,(H,37,41)(H,38,43)(H,39,42)/t28-,29+,30-,31+/m0/s1
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66n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50268466
PNG
(CHEMBL510506 | c[L-mTyr-D-pro-L-Phe-D-trp])
Show SMILES Oc1cccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)c1 |r|
Show InChI InChI=1S/C34H35N5O5/c40-24-11-6-10-22(16-24)18-29-34(44)39-15-7-14-30(39)33(43)37-27(17-21-8-2-1-3-9-21)31(41)36-28(32(42)38-29)19-23-20-35-26-13-5-4-12-25(23)26/h1-6,8-13,16,20,27-30,35,40H,7,14-15,17-19H2,(H,36,41)(H,37,43)(H,38,42)/t27-,28+,29-,30+/m0/s1
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78n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50207833
PNG
(CHEMBL246572 | H-Aba-ala-Gly-Phe-Met-OH)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(O)=O
Show InChI InChI=1S/C29H37N7O6S2/c1-16(33-26(39)19(30)12-18-8-9-20-23(14-18)44-29(31)36-20)25(38)32-15-24(37)34-22(13-17-6-4-3-5-7-17)27(40)35-21(28(41)42)10-11-43-2/h3-9,14,16,19,21-22H,10-13,15,30H2,1-2H3,(H2,31,36)(H,32,38)(H,33,39)(H,34,37)(H,35,40)(H,41,42)/t16-,19-,21-,22-/m0/s1
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100n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50268465
PNG
(CHEMBL486388 | c[L-Phe-D-pro-L-Tyr-D-trp])
Show SMILES Oc1ccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 |r|
Show InChI InChI=1S/C34H35N5O5/c40-24-14-12-22(13-15-24)17-27-31(41)36-28(19-23-20-35-26-10-5-4-9-25(23)26)32(42)38-29(18-21-7-2-1-3-8-21)34(44)39-16-6-11-30(39)33(43)37-27/h1-5,7-10,12-15,20,27-30,35,40H,6,11,16-19H2,(H,36,41)(H,37,43)(H,38,42)/t27-,28+,29-,30+/m0/s1
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120n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50268462
PNG
(CHEMBL506616 | c[L-Phe-D-pro-L-Phe-L-trp])
Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12 |r|
Show InChI InChI=1S/C34H35N5O4/c40-31-27(18-22-10-3-1-4-11-22)37-33(42)30-16-9-17-39(30)34(43)29(19-23-12-5-2-6-13-23)38-32(41)28(36-31)20-24-21-35-26-15-8-7-14-25(24)26/h1-8,10-15,21,27-30,35H,9,16-20H2,(H,36,40)(H,37,42)(H,38,41)/t27-,28-,29-,30+/m0/s1
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130n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50268465
PNG
(CHEMBL486388 | c[L-Phe-D-pro-L-Tyr-D-trp])
Show SMILES Oc1ccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 |r|
Show InChI InChI=1S/C34H35N5O5/c40-24-14-12-22(13-15-24)17-27-31(41)36-28(19-23-20-35-26-10-5-4-9-25(23)26)32(42)38-29(18-21-7-2-1-3-8-21)34(44)39-16-6-11-30(39)33(43)37-27/h1-5,7-10,12-15,20,27-30,35,40H,6,11,16-19H2,(H,36,41)(H,37,43)(H,38,42)/t27-,28+,29-,30+/m0/s1
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140n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50207829
PNG
(CHEMBL246682 | H-mCpa-ala-Gly-Phe-leu-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cccc(c1)C(N)=O)C(O)=O
Show InChI InChI=1S/C30H40N6O7/c1-17(2)12-24(30(42)43)36-29(41)23(15-19-8-5-4-6-9-19)35-25(37)16-33-27(39)18(3)34-28(40)22(31)14-20-10-7-11-21(13-20)26(32)38/h4-11,13,17-18,22-24H,12,14-16,31H2,1-3H3,(H2,32,38)(H,33,39)(H,34,40)(H,35,37)(H,36,41)(H,42,43)/t18-,22-,23-,24-/m0/s1
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170n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50268525
PNG
(CHEMBL507127 | c[L-Tyr(OMe)-D-pro-L-Phe-D-trp])
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)cc1 |r|
Show InChI InChI=1S/C35H37N5O5/c1-45-25-15-13-23(14-16-25)19-30-35(44)40-17-7-12-31(40)34(43)38-28(18-22-8-3-2-4-9-22)32(41)37-29(33(42)39-30)20-24-21-36-27-11-6-5-10-26(24)27/h2-6,8-11,13-16,21,28-31,36H,7,12,17-20H2,1H3,(H,37,41)(H,38,43)(H,39,42)/t28-,29+,30-,31+/m0/s1
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170n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50268527
PNG
((3S,6R,9S,14aR)-6-((1H-indol-3-yl)methyl)-3-benzyl...)
Show SMILES Fc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)cc1 |r|
Show InChI InChI=1S/C34H34FN5O4/c35-24-14-12-22(13-15-24)18-29-34(44)40-16-6-11-30(40)33(43)38-27(17-21-7-2-1-3-8-21)31(41)37-28(32(42)39-29)19-23-20-36-26-10-5-4-9-25(23)26/h1-5,7-10,12-15,20,27-30,36H,6,11,16-19H2,(H,37,41)(H,38,43)(H,39,42)/t27-,28+,29-,30+/m0/s1
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210n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50207823
PNG
(CHEMBL247368 | H-Tyr-Gly-Gly-Phe-Met-NH2)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C27H36N6O6S/c1-40-12-11-21(25(29)37)33-27(39)22(14-17-5-3-2-4-6-17)32-24(36)16-30-23(35)15-31-26(38)20(28)13-18-7-9-19(34)10-8-18/h2-10,20-22,34H,11-16,28H2,1H3,(H2,29,37)(H,30,35)(H,31,38)(H,32,36)(H,33,39)/t20-,21-,22-/m0/s1
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210n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50268464
PNG
(CHEMBL506217 | c[L-Tyr-D-pro-L-Phe-D-trp])
Show SMILES Oc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)cc1 |r|
Show InChI InChI=1S/C34H35N5O5/c40-24-14-12-22(13-15-24)18-29-34(44)39-16-6-11-30(39)33(43)37-27(17-21-7-2-1-3-8-21)31(41)36-28(32(42)38-29)19-23-20-35-26-10-5-4-9-25(23)26/h1-5,7-10,12-15,20,27-30,35,40H,6,11,16-19H2,(H,36,41)(H,37,43)(H,38,42)/t27-,28+,29-,30+/m0/s1
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220n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50268582
PNG
((3S,6R,14aR)-6-((1H-indol-3-yl)methyl)-3-benzyldec...)
Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)N2CCC[C@H]12 |r|
Show InChI InChI=1S/C27H29N5O4/c33-24-16-29-25(34)22(14-18-15-28-20-10-5-4-9-19(18)20)30-26(35)21(13-17-7-2-1-3-8-17)31-27(36)23-11-6-12-32(23)24/h1-5,7-10,15,21-23,28H,6,11-14,16H2,(H,29,34)(H,30,35)(H,31,36)/t21-,22+,23+/m0/s1
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270n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50268584
PNG
(Ac-D-pro-L-Phe-D-trp-L-Phe-NH2 | CHEMBL450818)
Show SMILES CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C36H40N6O5/c1-23(43)42-18-10-17-32(42)36(47)41-30(20-25-13-6-3-7-14-25)34(45)40-31(21-26-22-38-28-16-9-8-15-27(26)28)35(46)39-29(33(37)44)19-24-11-4-2-5-12-24/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,46)(H,40,45)(H,41,47)/t29-,30-,31+,32+/m0/s1
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340n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50207828
PNG
(CHEMBL246740 | H-Poa-ser-Gly-Phe-Leu-Thr-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cc[n+]([O-])cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C32H45N7O10/c1-18(2)13-23(31(46)38-27(19(3)41)32(47)48)36-30(45)24(15-20-7-5-4-6-8-20)35-26(42)16-34-29(44)25(17-40)37-28(43)22(33)14-21-9-11-39(49)12-10-21/h4-12,18-19,22-25,27,40-41H,13-17,33H2,1-3H3,(H,34,44)(H,35,42)(H,36,45)(H,37,43)(H,38,46)(H,47,48)/t19-,22+,23+,24+,25+,27+/m1/s1
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360n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50268585
PNG
(Ac-L-Phe-D-trp-L-Phe-D-pro-NH2 | CHEMBL442612)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C36H40N6O5/c1-23(43)39-29(19-24-11-4-2-5-12-24)34(45)40-30(21-26-22-38-28-16-9-8-15-27(26)28)35(46)41-31(20-25-13-6-3-7-14-25)36(47)42-18-10-17-32(42)33(37)44/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,43)(H,40,45)(H,41,46)/t29-,30+,31-,32+/m0/s1
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360n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
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