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Compile Data Set for Download or QSAR

Found 179 hits with Last Name = 'stropova' and Initial = 'd'   
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


(MOUSE)
BDBM50061295
PNG
((S)-2-{[(4R,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C39H47FN6O8S2/c1-38(2)31(45-33(49)27(41)18-23-12-16-26(47)17-13-23)35(51)42-21-30(48)43-28(19-24-10-14-25(40)15-11-24)34(50)46-32(39(3,4)56-55-38)36(52)44-29(37(53)54)20-22-8-6-5-7-9-22/h5-17,27-29,31-32,47H,18-21,41H2,1-4H3,(H,42,51)(H,43,48)(H,44,52)(H,45,49)(H,46,50)(H,53,54)/t27-,28-,29-,31-,32+/m0/s1
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n/an/a 0.0160n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor delta 1 was determined in electrically induced smooth muscle contractions of mouse vas deferens (MVD)


J Med Chem 40: 3957-62 (1998)


Article DOI: 10.1021/jm9704762
BindingDB Entry DOI: 10.7270/Q23R0TJ7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50043724
PNG
((S)-2-({(4R,7S)-13-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C37H44N6O8S2/c1-37(2)31(43-32(46)26(38)17-24-13-15-25(44)16-14-24)35(49)39-20-30(45)40-27(18-22-9-5-3-6-10-22)33(47)42-29(21-52-53-37)34(48)41-28(36(50)51)19-23-11-7-4-8-12-23/h3-16,26-29,31,44H,17-21,38H2,1-2H3,(H,39,49)(H,40,45)(H,41,48)(H,42,47)(H,43,46)(H,50,51)/t26-,27-,28-,29-,31-/m0/s1
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n/an/a 0.0160n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor delta 1 was determined in electrically induced smooth muscle contractions of mouse vas deferens (MVD)


J Med Chem 40: 3957-62 (1998)


Article DOI: 10.1021/jm9704762
BindingDB Entry DOI: 10.7270/Q23R0TJ7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50051173
PNG
(CHEMBL217049 | Cyclic Lactam Peptide Analogues of ...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(N)=O
Show InChI InChI=1S/C65H106N20O14/c1-5-38(4)53(62(98)81-46(21-14-30-75-65(72)73)63(99)85-31-15-22-50(85)61(97)78-43(54(69)90)18-9-11-27-66)84-58(94)45(20-13-29-74-64(70)71)79-57(93)44(19-10-12-28-67)80-59(95)47(32-37(2)3)83-60(96)48(34-39-16-7-6-8-17-39)77-51(87)36-76-56(92)49(35-52(88)89)82-55(91)42(68)33-40-23-25-41(86)26-24-40/h6-8,16-17,23-26,37-38,42-50,53,86H,5,9-15,18-22,27-36,66-68H2,1-4H3,(H2,69,90)(H,76,92)(H,77,87)(H,78,97)(H,79,93)(H,80,95)(H,81,98)(H,82,91)(H,83,96)(H,84,94)(H,88,89)(H4,70,71,74)(H4,72,73,75)/t38-,42-,43+,44-,45-,46-,47-,48-,49-,50+,53-/m0/s1
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n/an/a 0.0800n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of guinea pig brain membrane homogenates


J Med Chem 39: 1136-41 (1996)


Article DOI: 10.1021/jm950369c
BindingDB Entry DOI: 10.7270/Q2X63M13
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50061292
PNG
((S)-2-{[(4R,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C39H47ClN6O8S2/c1-38(2)31(45-33(49)27(41)18-23-12-16-26(47)17-13-23)35(51)42-21-30(48)43-28(19-24-10-14-25(40)15-11-24)34(50)46-32(39(3,4)56-55-38)36(52)44-29(37(53)54)20-22-8-6-5-7-9-22/h5-17,27-29,31-32,47H,18-21,41H2,1-4H3,(H,42,51)(H,43,48)(H,44,52)(H,45,49)(H,46,50)(H,53,54)/t27-,28-,29-,31-,32+/m0/s1
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n/an/a 0.170n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor delta 1 was determined in electrically induced smooth muscle contractions of mouse vas deferens (MVD)


J Med Chem 40: 3957-62 (1998)


Article DOI: 10.1021/jm9704762
BindingDB Entry DOI: 10.7270/Q23R0TJ7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50061291
PNG
((S)-2-{[(4R,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Br)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C39H47BrN6O8S2/c1-38(2)31(45-33(49)27(41)18-23-12-16-26(47)17-13-23)35(51)42-21-30(48)43-28(19-24-10-14-25(40)15-11-24)34(50)46-32(39(3,4)56-55-38)36(52)44-29(37(53)54)20-22-8-6-5-7-9-22/h5-17,27-29,31-32,47H,18-21,41H2,1-4H3,(H,42,51)(H,43,48)(H,44,52)(H,45,49)(H,46,50)(H,53,54)/t27-,28-,29-,31-,32+/m0/s1
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n/an/a 0.180n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor delta 1 was determined in electrically induced smooth muscle contractions of mouse vas deferens (MVD)


J Med Chem 40: 3957-62 (1998)


Article DOI: 10.1021/jm9704762
BindingDB Entry DOI: 10.7270/Q23R0TJ7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50061291
PNG
((S)-2-{[(4R,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Br)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C39H47BrN6O8S2/c1-38(2)31(45-33(49)27(41)18-23-12-16-26(47)17-13-23)35(51)42-21-30(48)43-28(19-24-10-14-25(40)15-11-24)34(50)46-32(39(3,4)56-55-38)36(52)44-29(37(53)54)20-22-8-6-5-7-9-22/h5-17,27-29,31-32,47H,18-21,41H2,1-4H3,(H,42,51)(H,43,48)(H,44,52)(H,45,49)(H,46,50)(H,53,54)/t27-,28-,29-,31-,32+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of binding of radioligand [3H][p-Cl-phe]-DPDPE to Opioid receptor delta 1 in rat brain


J Med Chem 40: 3957-62 (1998)


Article DOI: 10.1021/jm9704762
BindingDB Entry DOI: 10.7270/Q23R0TJ7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50039026
PNG
(4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1
Show InChI InChI=1S/C27H37N3O2/c1-6-16-29-18-21(5)30(19-20(29)4)26(24-10-9-11-25(31)17-24)22-12-14-23(15-13-22)27(32)28(7-2)8-3/h6,9-15,17,20-21,26,31H,1,7-8,16,18-19H2,2-5H3/t20-,21+,26-/m1/s1
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Article
PubMed
n/an/a 0.310n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity was measured against Opioid receptor delta 1 using [3H]-p-Cl-DPDPE as radioligand.


J Med Chem 41: 4767-76 (1998)


Article DOI: 10.1021/jm980374r
BindingDB Entry DOI: 10.7270/Q2DZ07FQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50061292
PNG
((S)-2-{[(4R,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C39H47ClN6O8S2/c1-38(2)31(45-33(49)27(41)18-23-12-16-26(47)17-13-23)35(51)42-21-30(48)43-28(19-24-10-14-25(40)15-11-24)34(50)46-32(39(3,4)56-55-38)36(52)44-29(37(53)54)20-22-8-6-5-7-9-22/h5-17,27-29,31-32,47H,18-21,41H2,1-4H3,(H,42,51)(H,43,48)(H,44,52)(H,45,49)(H,46,50)(H,53,54)/t27-,28-,29-,31-,32+/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of binding of radioligand [3H][p-Cl-phe]-DPDPE to Opioid receptor delta 1 in rat brain


J Med Chem 40: 3957-62 (1998)


Article DOI: 10.1021/jm9704762
BindingDB Entry DOI: 10.7270/Q23R0TJ7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50061295
PNG
((S)-2-{[(4R,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C39H47FN6O8S2/c1-38(2)31(45-33(49)27(41)18-23-12-16-26(47)17-13-23)35(51)42-21-30(48)43-28(19-24-10-14-25(40)15-11-24)34(50)46-32(39(3,4)56-55-38)36(52)44-29(37(53)54)20-22-8-6-5-7-9-22/h5-17,27-29,31-32,47H,18-21,41H2,1-4H3,(H,42,51)(H,43,48)(H,44,52)(H,45,49)(H,46,50)(H,53,54)/t27-,28-,29-,31-,32+/m0/s1
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n/an/a 0.430n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of binding of radioligand [3H][p-Cl-phe]-DPDPE to Opioid receptor delta 1 in rat brain


J Med Chem 40: 3957-62 (1998)


Article DOI: 10.1021/jm9704762
BindingDB Entry DOI: 10.7270/Q23R0TJ7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50061293
PNG
((S)-2-{[(4R,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C39H47IN6O8S2/c1-38(2)31(45-33(49)27(41)18-23-12-16-26(47)17-13-23)35(51)42-21-30(48)43-28(19-24-10-14-25(40)15-11-24)34(50)46-32(39(3,4)56-55-38)36(52)44-29(37(53)54)20-22-8-6-5-7-9-22/h5-17,27-29,31-32,47H,18-21,41H2,1-4H3,(H,42,51)(H,43,48)(H,44,52)(H,45,49)(H,46,50)(H,53,54)/t27-,28-,29-,31-,32+/m0/s1
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n/an/a 0.470n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of binding of radioligand [3H][p-Cl-phe]-DPDPE to Opioid receptor delta 1 in rat brain


J Med Chem 40: 3957-62 (1998)


Article DOI: 10.1021/jm9704762
BindingDB Entry DOI: 10.7270/Q23R0TJ7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50051169
PNG
(CHEMBL409974 | Cyclic Lactam Peptide Analogues of ...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41-,42+,43-,44-,45-,46-,47-,48+,51-/m0/s1
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n/an/a 0.580n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69,593 binding to Opioid receptor kappa 1 of plasma membrane homogenates of guinea pig brain


J Med Chem 39: 1136-41 (1996)


Article DOI: 10.1021/jm950369c
BindingDB Entry DOI: 10.7270/Q2X63M13
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50036267
PNG
(CHEMBL268874 | Dyn A(H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(OC)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C64H106N22O12/c1-6-38(4)52(60(96)83-46(21-14-30-76-64(72)73)61(97)86-31-15-22-49(86)59(95)80-43(53(67)89)18-10-11-27-65)85-56(92)45(20-13-29-75-63(70)71)81-55(91)44(19-12-28-74-62(68)69)82-57(93)47(32-37(2)3)84-58(94)48(34-39-16-8-7-9-17-39)79-51(88)36-77-50(87)35-78-54(90)42(66)33-40-23-25-41(98-5)26-24-40/h7-9,16-17,23-26,37-38,42-49,52H,6,10-15,18-22,27-36,65-66H2,1-5H3,(H2,67,89)(H,77,87)(H,78,90)(H,79,88)(H,80,95)(H,81,91)(H,82,93)(H,83,96)(H,84,94)(H,85,92)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t38-,42-,43-,44-,45-,46-,47-,48-,49-,52-/m0/s1
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n/an/a 0.580n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor kappa 1 in guinea pig brain using [3H]-U-69,593 as radioligand.


J Med Chem 38: 585-6 (1995)


BindingDB Entry DOI: 10.7270/Q2NP23F7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50081526
PNG
((S)-2-Amino-N-{(R)-1-[({(S)-2-[N'-((R)-2-amino-3-p...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C32H39N7O6/c1-20(36-30(43)25(33)17-23-12-14-24(40)15-13-23)29(42)35-19-28(41)37-27(18-22-10-6-3-7-11-22)32(45)39-38-31(44)26(34)16-21-8-4-2-5-9-21/h2-15,20,25-27,40H,16-19,33-34H2,1H3,(H,35,42)(H,36,43)(H,37,41)(H,38,44)(H,39,45)/t20-,25+,26-,27+/m1/s1
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n/an/a 0.740n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro binding affinity towards mu opioid receptors was determined using [3H]-[p-Cl-Phe]- 4] DPDPE or [3H]-Deltorphin II


Bioorg Med Chem Lett 9: 2763-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T7W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50138774
PNG
(CHEMBL415795 | Linear [D-Ala3]Dyn A-(1-11)NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C64H106N22O12/c1-6-37(4)51(60(97)82-46(21-14-30-76-64(72)73)61(98)86-31-15-22-49(86)59(96)79-43(52(67)89)18-10-11-27-65)85-56(93)45(20-13-29-75-63(70)71)80-55(92)44(19-12-28-74-62(68)69)81-57(94)47(32-36(2)3)84-58(95)48(34-39-16-8-7-9-17-39)83-53(90)38(5)78-50(88)35-77-54(91)42(66)33-40-23-25-41(87)26-24-40/h7-9,16-17,23-26,36-38,42-49,51,87H,6,10-15,18-22,27-35,65-66H2,1-5H3,(H2,67,89)(H,77,91)(H,78,88)(H,79,96)(H,80,92)(H,81,94)(H,82,97)(H,83,90)(H,84,95)(H,85,93)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t37-,38+,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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n/an/a 0.760n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor kappa 1 in guinea pig brain using [3H]-U-69,593 as radioligand.


J Med Chem 38: 585-6 (1995)


BindingDB Entry DOI: 10.7270/Q2NP23F7
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM21146
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C55H66N10O13/c1-3-4-19-45(54(77)64-43(29-48(70)71)53(76)61-40(49(57)72)24-32-13-7-5-8-14-32)65(2)55(78)44(27-35-30-58-39-18-12-11-17-37(35)39)60-46(67)31-59-51(74)41(25-33-15-9-6-10-16-33)63-52(75)42(26-34-20-22-36(66)23-21-34)62-50(73)38(56)28-47(68)69/h5-18,20-23,30,38,40-45,58,66H,3-4,19,24-29,31,56H2,1-2H3,(H2,57,72)(H,59,74)(H,60,67)(H,61,76)(H,62,73)(H,63,75)(H,64,77)(H,68,69)(H,70,71)/t38-,40-,41+,42-,43-,44-,45-/m0/s1
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n/an/a 0.790n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor was determined in guinea pig cortex using [3H]SNF8702 as radioligand


J Med Chem 39: 4120-4 (1996)


Article DOI: 10.1021/jm960078j
BindingDB Entry DOI: 10.7270/Q2P55P5Z
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50061293
PNG
((S)-2-{[(4R,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C39H47IN6O8S2/c1-38(2)31(45-33(49)27(41)18-23-12-16-26(47)17-13-23)35(51)42-21-30(48)43-28(19-24-10-14-25(40)15-11-24)34(50)46-32(39(3,4)56-55-38)36(52)44-29(37(53)54)20-22-8-6-5-7-9-22/h5-17,27-29,31-32,47H,18-21,41H2,1-4H3,(H,42,51)(H,43,48)(H,44,52)(H,45,49)(H,46,50)(H,53,54)/t27-,28-,29-,31-,32+/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor delta 1 was determined in electrically induced smooth muscle contractions of mouse vas deferens (MVD)


J Med Chem 40: 3957-62 (1998)


Article DOI: 10.1021/jm9704762
BindingDB Entry DOI: 10.7270/Q23R0TJ7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50081529
PNG
((S)-2-Amino-N-{(R)-1-[({(S)-2-[N'-((S)-2-amino-3-p...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C32H39N7O6/c1-20(36-30(43)25(33)17-23-12-14-24(40)15-13-23)29(42)35-19-28(41)37-27(18-22-10-6-3-7-11-22)32(45)39-38-31(44)26(34)16-21-8-4-2-5-9-21/h2-15,20,25-27,40H,16-19,33-34H2,1H3,(H,35,42)(H,36,43)(H,37,41)(H,38,44)(H,39,45)/t20-,25+,26+,27+/m1/s1
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n/an/a 0.880n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro binding affinity towards mu opioid receptors was determined using [3H]-[p-Cl-Phe]- 4] DPDPE or [3H]-Deltorphin II


Bioorg Med Chem Lett 9: 2763-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T7W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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n/an/a 1.06n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity was measured against Opioid receptor delta 1 using [3H]-p-Cl-DPDPE as radioligand.


J Med Chem 41: 4767-76 (1998)


Article DOI: 10.1021/jm980374r
BindingDB Entry DOI: 10.7270/Q2DZ07FQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50036266
PNG
(CHEMBL262963 | Dyn A(H-Tyr-Gly-Ala-Phe-Leu-Arg-Arg...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C64H106N22O12/c1-6-37(4)51(60(97)82-46(21-14-30-76-64(72)73)61(98)86-31-15-22-49(86)59(96)79-43(52(67)89)18-10-11-27-65)85-56(93)45(20-13-29-75-63(70)71)80-55(92)44(19-12-28-74-62(68)69)81-57(94)47(32-36(2)3)84-58(95)48(34-39-16-8-7-9-17-39)83-53(90)38(5)78-50(88)35-77-54(91)42(66)33-40-23-25-41(87)26-24-40/h7-9,16-17,23-26,36-38,42-49,51,87H,6,10-15,18-22,27-35,65-66H2,1-5H3,(H2,67,89)(H,77,91)(H,78,88)(H,79,96)(H,80,92)(H,81,94)(H,82,97)(H,83,90)(H,84,95)(H,85,93)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t37-,38-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor kappa 1 in guinea pig brain using [3H]-U-69,593 as radioligand.


J Med Chem 38: 585-6 (1995)


BindingDB Entry DOI: 10.7270/Q2NP23F7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50051173
PNG
(CHEMBL217049 | Cyclic Lactam Peptide Analogues of ...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(N)=O
Show InChI InChI=1S/C65H106N20O14/c1-5-38(4)53(62(98)81-46(21-14-30-75-65(72)73)63(99)85-31-15-22-50(85)61(97)78-43(54(69)90)18-9-11-27-66)84-58(94)45(20-13-29-74-64(70)71)79-57(93)44(19-10-12-28-67)80-59(95)47(32-37(2)3)83-60(96)48(34-39-16-7-6-8-17-39)77-51(87)36-76-56(92)49(35-52(88)89)82-55(91)42(68)33-40-23-25-41(86)26-24-40/h6-8,16-17,23-26,37-38,42-50,53,86H,5,9-15,18-22,27-36,66-68H2,1-4H3,(H2,69,90)(H,76,92)(H,77,87)(H,78,97)(H,79,93)(H,80,95)(H,81,98)(H,82,91)(H,83,96)(H,84,94)(H,88,89)(H4,70,71,74)(H4,72,73,75)/t38-,42-,43+,44-,45-,46-,47-,48-,49-,50+,53-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]c[D-Pen2,p-Cl-Phe4,D-Pen5]enkephalin binding to delta opioid receptor of guinea pig brain plasma membrane homogenates


J Med Chem 39: 1136-41 (1996)


Article DOI: 10.1021/jm950369c
BindingDB Entry DOI: 10.7270/Q2X63M13
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50085056
PNG
(CHEMBL268162 | H-D-Tic-c[Cys-Tyr-D-Trp-Arg-Thr-Pen...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H]1Cc2ccccc2CN1)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C52H69N13O11S2/c1-26(66)40(43(53)69)63-50(76)42-52(3,4)78-77-25-39(62-45(71)36-21-29-10-5-6-11-30(29)23-58-36)48(74)60-37(20-28-15-17-32(68)18-16-28)46(72)61-38(22-31-24-57-34-13-8-7-12-33(31)34)47(73)59-35(14-9-19-56-51(54)55)44(70)64-41(27(2)67)49(75)65-42/h5-8,10-13,15-18,24,26-27,35-42,57-58,66-68H,9,14,19-23,25H2,1-4H3,(H2,53,69)(H,59,73)(H,60,74)(H,61,72)(H,62,71)(H,63,76)(H,64,70)(H,65,75)(H4,54,55,56)/t26-,27-,35+,36-,37+,38+,39+,40+,41-,42+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity for rat brain Opioid receptor mu 1


J Med Chem 43: 569-80 (2000)


BindingDB Entry DOI: 10.7270/Q2CJ8CP3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50081527
PNG
((S)-2-Amino-N-{(R)-1-[({(S)-2-[N'-((S)-2-amino-hex...)
Show SMILES CCCC[C@H](N)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C29H41N7O6/c1-3-4-10-22(30)28(41)35-36-29(42)24(16-19-8-6-5-7-9-19)34-25(38)17-32-26(39)18(2)33-27(40)23(31)15-20-11-13-21(37)14-12-20/h5-9,11-14,18,22-24,37H,3-4,10,15-17,30-31H2,1-2H3,(H,32,39)(H,33,40)(H,34,38)(H,35,41)(H,36,42)/t18-,22+,23+,24+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro binding affinity towards mu opioid receptors was determined using [3H]-[p-Cl-Phe]- 4] DPDPE or [3H]-Deltorphin II


Bioorg Med Chem Lett 9: 2763-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T7W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50085061
PNG
(CHEMBL384571 | H-D-Trp-c[Cys-Tyr-D-Trp-Arg-Thr-Pen...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C53H70N14O11S2/c1-26(68)41(44(55)71)65-51(78)43-53(3,4)80-79-25-40(64-45(72)34(54)21-29-23-59-35-12-7-5-10-32(29)35)49(76)62-38(20-28-15-17-31(70)18-16-28)47(74)63-39(22-30-24-60-36-13-8-6-11-33(30)36)48(75)61-37(14-9-19-58-52(56)57)46(73)66-42(27(2)69)50(77)67-43/h5-8,10-13,15-18,23-24,26-27,34,37-43,59-60,68-70H,9,14,19-22,25,54H2,1-4H3,(H2,55,71)(H,61,75)(H,62,76)(H,63,74)(H,64,72)(H,65,78)(H,66,73)(H,67,77)(H4,56,57,58)/t26-,27-,34-,37+,38+,39+,40+,41+,42-,43+/m1/s1
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n/an/a 1.39n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity for rat brain Opioid receptor mu 1


J Med Chem 43: 569-80 (2000)


BindingDB Entry DOI: 10.7270/Q2CJ8CP3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50043724
PNG
((S)-2-({(4R,7S)-13-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C37H44N6O8S2/c1-37(2)31(43-32(46)26(38)17-24-13-15-25(44)16-14-24)35(49)39-20-30(45)40-27(18-22-9-5-3-6-10-22)33(47)42-29(21-52-53-37)34(48)41-28(36(50)51)19-23-11-7-4-8-12-23/h3-16,26-29,31,44H,17-21,38H2,1-2H3,(H,39,49)(H,40,45)(H,41,48)(H,42,47)(H,43,46)(H,50,51)/t26-,27-,28-,29-,31-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of binding of radioligand [3H][p-Cl-phe]-DPDPE to Opioid receptor delta 1 in rat brain


J Med Chem 40: 3957-62 (1998)


Article DOI: 10.1021/jm9704762
BindingDB Entry DOI: 10.7270/Q23R0TJ7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21014
PNG
((2S)-2-amino-N-[(1R)-1-[({[(1S)-1-{N'-[(2S)-2-{2-[...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro binding affinity towards mu opioid receptors was determined using [3H]-[p-Cl-Phe]- 4] DPDPE or [3H]-Deltorphin II


Bioorg Med Chem Lett 9: 2763-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T7W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50068133
PNG
((4S,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H38ClN5O7S2/c1-29(2)23(35-25(39)20(32)13-16-7-11-19(37)12-8-16)27(41)33-15-22(38)34-21(14-17-5-9-18(31)10-6-17)26(40)36-24(28(42)43)30(3,4)45-44-29/h5-12,20-21,23-24,37H,13-15,32H2,1-4H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t20-,21-,23-,24-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity was measured against cloned human Opioid receptor delta 1 (wild-type,Wt)


J Med Chem 41: 4767-76 (1998)


Article DOI: 10.1021/jm980374r
BindingDB Entry DOI: 10.7270/Q2DZ07FQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50051173
PNG
(CHEMBL217049 | Cyclic Lactam Peptide Analogues of ...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(N)=O
Show InChI InChI=1S/C65H106N20O14/c1-5-38(4)53(62(98)81-46(21-14-30-75-65(72)73)63(99)85-31-15-22-50(85)61(97)78-43(54(69)90)18-9-11-27-66)84-58(94)45(20-13-29-74-64(70)71)79-57(93)44(19-10-12-28-67)80-59(95)47(32-37(2)3)83-60(96)48(34-39-16-7-6-8-17-39)77-51(87)36-76-56(92)49(35-52(88)89)82-55(91)42(68)33-40-23-25-41(86)26-24-40/h6-8,16-17,23-26,37-38,42-50,53,86H,5,9-15,18-22,27-36,66-68H2,1-4H3,(H2,69,90)(H,76,92)(H,77,87)(H,78,97)(H,79,93)(H,80,95)(H,81,98)(H,82,91)(H,83,96)(H,84,94)(H,88,89)(H4,70,71,74)(H4,72,73,75)/t38-,42-,43+,44-,45-,46-,47-,48-,49-,50+,53-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69,593 binding to Opioid receptor kappa 1 of plasma membrane homogenates of guinea pig brain


J Med Chem 39: 1136-41 (1996)


Article DOI: 10.1021/jm950369c
BindingDB Entry DOI: 10.7270/Q2X63M13
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50068133
PNG
((4S,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H38ClN5O7S2/c1-29(2)23(35-25(39)20(32)13-16-7-11-19(37)12-8-16)27(41)33-15-22(38)34-21(14-17-5-9-18(31)10-6-17)26(40)36-24(28(42)43)30(3,4)45-44-29/h5-12,20-21,23-24,37H,13-15,32H2,1-4H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t20-,21-,23-,24-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity was measured against mutated human Opioid receptor delta 1 (W248L)


J Med Chem 41: 4767-76 (1998)


Article DOI: 10.1021/jm980374r
BindingDB Entry DOI: 10.7270/Q2DZ07FQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
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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n/an/a 1.60n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity was measured against Opioid receptor delta 1 using [3H]-p-Cl-DPDPE as radioligand.


J Med Chem 41: 4767-76 (1998)


Article DOI: 10.1021/jm980374r
BindingDB Entry DOI: 10.7270/Q2DZ07FQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50068133
PNG
((4S,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H38ClN5O7S2/c1-29(2)23(35-25(39)20(32)13-16-7-11-19(37)12-8-16)27(41)33-15-22(38)34-21(14-17-5-9-18(31)10-6-17)26(40)36-24(28(42)43)30(3,4)45-44-29/h5-12,20-21,23-24,37H,13-15,32H2,1-4H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t20-,21-,23-,24-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity was measured against Opioid receptor delta 1 using [3H]-p-Cl-DPDPE as radioligand.


J Med Chem 41: 4767-76 (1998)


Article DOI: 10.1021/jm980374r
BindingDB Entry DOI: 10.7270/Q2DZ07FQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50081528
PNG
((S)-2-Amino-N-((R)-1-{[((S)-2-{N'-[(R)-2-amino-3-(...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C32H39N7O7/c1-19(36-30(44)25(33)15-21-7-11-23(40)12-8-21)29(43)35-18-28(42)37-27(17-20-5-3-2-4-6-20)32(46)39-38-31(45)26(34)16-22-9-13-24(41)14-10-22/h2-14,19,25-27,40-41H,15-18,33-34H2,1H3,(H,35,43)(H,36,44)(H,37,42)(H,38,45)(H,39,46)/t19-,25+,26-,27+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro binding affinity towards mu opioid receptors was determined using [3H]-[p-Cl-Phe]- 4] DPDPE or [3H]-Deltorphin II


Bioorg Med Chem Lett 9: 2763-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T7W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50061290
PNG
((S)-2-({(4R,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...)
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)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C39H48N6O8S2/c1-38(2)31(44-33(48)27(40)19-25-15-17-26(46)18-16-25)35(50)41-22-30(47)42-28(20-23-11-7-5-8-12-23)34(49)45-32(39(3,4)55-54-38)36(51)43-29(37(52)53)21-24-13-9-6-10-14-24/h5-18,27-29,31-32,46H,19-22,40H2,1-4H3,(H,41,50)(H,42,47)(H,43,51)(H,44,48)(H,45,49)(H,52,53)/t27-,28-,29-,31-,32+/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor delta 1 was determined in electrically induced smooth muscle contractions of mouse vas deferens (MVD)


J Med Chem 40: 3957-62 (1998)


Article DOI: 10.1021/jm9704762
BindingDB Entry DOI: 10.7270/Q23R0TJ7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50081525
PNG
((S)-2-Amino-N-((R)-1-{[((S)-2-{N'-[(R)-2-amino-3-(...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C34H40N8O6/c1-20(39-32(46)26(35)15-22-11-13-24(43)14-12-22)31(45)38-19-30(44)40-29(16-21-7-3-2-4-8-21)34(48)42-41-33(47)27(36)17-23-18-37-28-10-6-5-9-25(23)28/h2-14,18,20,26-27,29,37,43H,15-17,19,35-36H2,1H3,(H,38,45)(H,39,46)(H,40,44)(H,41,47)(H,42,48)/t20-,26+,27-,29+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro binding affinity towards mu opioid receptors was determined using [3H]-[p-Cl-Phe]- 4] DPDPE or [3H]-Deltorphin II


Bioorg Med Chem Lett 9: 2763-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T7W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
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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n/an/a 2.5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor delta 1 was determined in electrically induced smooth muscle contractions of mouse vas deferens (MVD)


J Med Chem 40: 3957-62 (1998)


Article DOI: 10.1021/jm9704762
BindingDB Entry DOI: 10.7270/Q23R0TJ7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21014
PNG
((2S)-2-amino-N-[(1R)-1-[({[(1S)-1-{N'-[(2S)-2-{2-[...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Opioid receptor delta 1 was determined using [3H]-DAMGO or [3H]-CTOP


Bioorg Med Chem Lett 9: 2763-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T7W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity was measured against cloned human Opioid receptor delta 1 (wild-type,Wt)


J Med Chem 41: 4767-76 (1998)


Article DOI: 10.1021/jm980374r
BindingDB Entry DOI: 10.7270/Q2DZ07FQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50051178
PNG
(CHEMBL413011 | Cyclic Lactam Peptide Analogues of ...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(N)=O
Show InChI InChI=1S/C65H104N20O13/c1-5-38(4)53(62(97)81-46(21-14-30-75-65(71)72)63(98)85-31-15-22-50(85)61(96)78-43(54(68)89)18-9-11-27-66)84-58(93)45(20-13-29-74-64(69)70)79-57(92)44-19-10-12-28-73-51(87)35-49(82-55(90)42(67)33-40-23-25-41(86)26-24-40)56(91)76-36-52(88)77-48(34-39-16-7-6-8-17-39)60(95)83-47(32-37(2)3)59(94)80-44/h6-8,16-17,23-26,37-38,42-50,53,86H,5,9-15,18-22,27-36,66-67H2,1-4H3,(H2,68,89)(H,73,87)(H,76,91)(H,77,88)(H,78,96)(H,79,92)(H,80,94)(H,81,97)(H,82,90)(H,83,95)(H,84,93)(H4,69,70,74)(H4,71,72,75)/t38-,42-,43+,44-,45-,46-,47-,48+,49-,50+,53-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of guinea pig brain membrane homogenates


J Med Chem 39: 1136-41 (1996)


Article DOI: 10.1021/jm950369c
BindingDB Entry DOI: 10.7270/Q2X63M13
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50061290
PNG
((S)-2-({(4R,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...)
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)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C39H48N6O8S2/c1-38(2)31(44-33(48)27(40)19-25-15-17-26(46)18-16-25)35(50)41-22-30(47)42-28(20-23-11-7-5-8-12-23)34(49)45-32(39(3,4)55-54-38)36(51)43-29(37(52)53)21-24-13-9-6-10-14-24/h5-18,27-29,31-32,46H,19-22,40H2,1-4H3,(H,41,50)(H,42,47)(H,43,51)(H,44,48)(H,45,49)(H,52,53)/t27-,28-,29-,31-,32+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of binding of radioligand [3H][p-Cl-phe]-DPDPE to Opioid receptor delta 1 in rat brain


J Med Chem 40: 3957-62 (1998)


Article DOI: 10.1021/jm9704762
BindingDB Entry DOI: 10.7270/Q23R0TJ7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
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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n/an/a 4.10n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 was determined in guinea pig wholebrain using [3H][4''-Cl-Phe4]-DPDPE as radioligand


J Med Chem 39: 4120-4 (1996)


Article DOI: 10.1021/jm960078j
BindingDB Entry DOI: 10.7270/Q2P55P5Z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50081523
PNG
((S)-2-Amino-N-((R)-1-{[((S)-1-hydrazinocarbonyl-2-...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NN
Show InChI InChI=1S/C23H30N6O5/c1-14(27-22(33)18(24)11-16-7-9-17(30)10-8-16)21(32)26-13-20(31)28-19(23(34)29-25)12-15-5-3-2-4-6-15/h2-10,14,18-19,30H,11-13,24-25H2,1H3,(H,26,32)(H,27,33)(H,28,31)(H,29,34)/t14-,18+,19+/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro binding affinity towards mu opioid receptors was determined using [3H]-[p-Cl-Phe]- 4] DPDPE or [3H]-Deltorphin II


Bioorg Med Chem Lett 9: 2763-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T7W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50051174
PNG
(CHEMBL216182 | Cyclic Lactam Peptide Analogues of ...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(N)=O
Show InChI InChI=1S/C65H104N20O13/c1-5-38(4)53(62(97)81-46(21-14-30-75-65(71)72)63(98)85-31-15-22-50(85)61(96)78-43(54(68)89)18-9-11-27-66)84-57(92)44-19-10-12-28-73-51(87)35-49(77-52(88)36-76-55(90)42(67)33-40-23-25-41(86)26-24-40)60(95)83-48(34-39-16-7-6-8-17-39)59(94)82-47(32-37(2)3)58(93)80-45(56(91)79-44)20-13-29-74-64(69)70/h6-8,16-17,23-26,37-38,42-50,53,86H,5,9-15,18-22,27-36,66-67H2,1-4H3,(H2,68,89)(H,73,87)(H,76,90)(H,77,88)(H,78,96)(H,79,91)(H,80,93)(H,81,97)(H,82,94)(H,83,95)(H,84,92)(H4,69,70,74)(H4,71,72,75)/t38-,42-,43+,44+,45+,46-,47-,48+,49-,50+,53-/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69,593 binding to Opioid receptor kappa 1 of plasma membrane homogenates of guinea pig brain


J Med Chem 39: 1136-41 (1996)


Article DOI: 10.1021/jm950369c
BindingDB Entry DOI: 10.7270/Q2X63M13
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50084127
PNG
((4S,7S,13S)-13-[(2S,3R)-2-Amino-3-(4-hydroxy-2,6-d...)
Show SMILES C[C@@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H45N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26-30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47-46-32(26,4)5/h8-14,19,22,25-27,39H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22+,25+,26+,27+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity was measured against Opioid receptor delta 1 using [3H]-p-Cl-DPDPE as radioligand.


J Med Chem 41: 4767-76 (1998)


Article DOI: 10.1021/jm980374r
BindingDB Entry DOI: 10.7270/Q2DZ07FQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50068132
PNG
(3-[(4-Benzyl-piperazin-1-yl)-(4-tert-butyl-phenyl)...)
Show SMILES CC(C)(C)c1ccc(cc1)C(N1CCN(Cc2ccccc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C28H34N2O/c1-28(2,3)25-14-12-23(13-15-25)27(24-10-7-11-26(31)20-24)30-18-16-29(17-19-30)21-22-8-5-4-6-9-22/h4-15,20,27,31H,16-19,21H2,1-3H3
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n/an/a 5.5n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity was measured against cloned human Opioid receptor delta 1 (wild-type,Wt)


J Med Chem 41: 4767-76 (1998)


Article DOI: 10.1021/jm980374r
BindingDB Entry DOI: 10.7270/Q2DZ07FQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50081531
PNG
((S)-2-Amino-N-{(R)-1-[({(S)-2-[N'-((R)-2-amino-hex...)
Show SMILES CCCC[C@@H](N)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C29H41N7O6/c1-3-4-10-22(30)28(41)35-36-29(42)24(16-19-8-6-5-7-9-19)34-25(38)17-32-26(39)18(2)33-27(40)23(31)15-20-11-13-21(37)14-12-20/h5-9,11-14,18,22-24,37H,3-4,10,15-17,30-31H2,1-2H3,(H,32,39)(H,33,40)(H,34,38)(H,35,41)(H,36,42)/t18-,22-,23+,24+/m1/s1
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n/an/a 5.90n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro binding affinity towards mu opioid receptors was determined using [3H]-[p-Cl-Phe]- 4] DPDPE or [3H]-Deltorphin II


Bioorg Med Chem Lett 9: 2763-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T7W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50051180
PNG
(CHEMBL387083 | Cyclic Lactam Peptide Analogues of ...)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)C[C@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCCN)C(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C61H96N20O13/c1-3-35(2)50-58(93)79-45(59(94)81-29-13-20-46(81)57(92)75-40(51(64)86)16-7-9-25-62)32-47(83)69-26-10-8-17-41(53(88)76-42(18-11-27-70-60(65)66)54(89)77-43(55(90)80-50)19-12-28-71-61(67)68)78-56(91)44(31-36-14-5-4-6-15-36)74-49(85)34-72-48(84)33-73-52(87)39(63)30-37-21-23-38(82)24-22-37/h4-6,14-15,21-24,35,39-46,50,82H,3,7-13,16-20,25-34,62-63H2,1-2H3,(H2,64,86)(H,69,83)(H,72,84)(H,73,87)(H,74,85)(H,75,92)(H,76,88)(H,77,89)(H,78,91)(H,79,93)(H,80,90)(H4,65,66,70)(H4,67,68,71)/t35-,39-,40-,41-,42-,43+,44-,45+,46+,50-/m1/s1
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n/an/a 6.60n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69,593 binding to Opioid receptor kappa 1 of plasma membrane homogenates of guinea pig brain


J Med Chem 39: 1136-41 (1996)


Article DOI: 10.1021/jm950369c
BindingDB Entry DOI: 10.7270/Q2X63M13
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50081524
PNG
((S)-2-Amino-N-[(R)-1-({[(S)-2-[N'-((R)-2-amino-3-p...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C34H40N8O6/c1-20(39-32(46)26(35)16-22-11-13-24(43)14-12-22)31(45)38-19-30(44)40-29(17-23-18-37-28-10-6-5-9-25(23)28)34(48)42-41-33(47)27(36)15-21-7-3-2-4-8-21/h2-14,18,20,26-27,29,37,43H,15-17,19,35-36H2,1H3,(H,38,45)(H,39,46)(H,40,44)(H,41,47)(H,42,48)/t20-,26+,27-,29+/m1/s1
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n/an/a 8.30n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro binding affinity towards mu opioid receptors was determined using [3H]-[p-Cl-Phe]- 4] DPDPE or [3H]-Deltorphin II


Bioorg Med Chem Lett 9: 2763-6 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T7W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50068132
PNG
(3-[(4-Benzyl-piperazin-1-yl)-(4-tert-butyl-phenyl)...)
Show SMILES CC(C)(C)c1ccc(cc1)C(N1CCN(Cc2ccccc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C28H34N2O/c1-28(2,3)25-14-12-23(13-15-25)27(24-10-7-11-26(31)20-24)30-18-16-29(17-19-30)21-22-8-5-4-6-9-22/h4-15,20,27,31H,16-19,21H2,1-3H3
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n/an/a 8.40n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity was measured against Opioid receptor delta 1 using [3H]-p-Cl-DPDPE as radioligand.


J Med Chem 41: 4767-76 (1998)


Article DOI: 10.1021/jm980374r
BindingDB Entry DOI: 10.7270/Q2DZ07FQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50068132
PNG
(3-[(4-Benzyl-piperazin-1-yl)-(4-tert-butyl-phenyl)...)
Show SMILES CC(C)(C)c1ccc(cc1)C(N1CCN(Cc2ccccc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C28H34N2O/c1-28(2,3)25-14-12-23(13-15-25)27(24-10-7-11-26(31)20-24)30-18-16-29(17-19-30)21-22-8-5-4-6-9-22/h4-15,20,27,31H,16-19,21H2,1-3H3
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n/an/a 8.40n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity was measured against Opioid receptor delta 1 using [3H]-p-Cl-DPDPE as radioligand.


J Med Chem 41: 4767-76 (1998)


Article DOI: 10.1021/jm980374r
BindingDB Entry DOI: 10.7270/Q2DZ07FQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50039026
PNG
(4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1
Show InChI InChI=1S/C27H37N3O2/c1-6-16-29-18-21(5)30(19-20(29)4)26(24-10-9-11-25(31)17-24)22-12-14-23(15-13-22)27(32)28(7-2)8-3/h6,9-15,17,20-21,26,31H,1,7-8,16,18-19H2,2-5H3/t20-,21+,26-/m1/s1
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n/an/a 9.70n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity was measured against Opioid receptor mu 1 using [3H]-DAMGO as radioligand.


J Med Chem 41: 4767-76 (1998)


Article DOI: 10.1021/jm980374r
BindingDB Entry DOI: 10.7270/Q2DZ07FQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50036267
PNG
(CHEMBL268874 | Dyn A(H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(OC)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C64H106N22O12/c1-6-38(4)52(60(96)83-46(21-14-30-76-64(72)73)61(97)86-31-15-22-49(86)59(95)80-43(53(67)89)18-10-11-27-65)85-56(92)45(20-13-29-75-63(70)71)81-55(91)44(19-12-28-74-62(68)69)82-57(93)47(32-37(2)3)84-58(94)48(34-39-16-8-7-9-17-39)79-51(88)36-77-50(87)35-78-54(90)42(66)33-40-23-25-41(98-5)26-24-40/h7-9,16-17,23-26,37-38,42-49,52H,6,10-15,18-22,27-36,65-66H2,1-5H3,(H2,67,89)(H,77,87)(H,78,90)(H,79,88)(H,80,95)(H,81,91)(H,82,93)(H,83,96)(H,84,94)(H,85,92)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t38-,42-,43-,44-,45-,46-,47-,48-,49-,52-/m0/s1
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n/an/a 9.90n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 in guinea pig brain using [3H]-DAMGO as radioligand.


J Med Chem 38: 585-6 (1995)


BindingDB Entry DOI: 10.7270/Q2NP23F7
More data for this
Ligand-Target Pair
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