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Compile Data Set for Download or QSAR

Found 281 hits with Last Name = 'burks' and Initial = 'tf'   
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


(Rattus norvegicus (rat))
BDBM50453049
PNG
(CHEMBL2115043)
Show SMILES [H][C@]1(NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)[C@H](C)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C31H40N6O9S2/c1-16(18-8-10-19(11-9-18)37(45)46)23-27(41)36-25(29(43)44)31(4,5)48-47-30(2,3)24(28(42)33-15-22(39)34-23)35-26(40)21(32)14-17-6-12-20(38)13-7-17/h6-13,16,21,23-25,38H,14-15,32H2,1-5H3,(H,33,42)(H,34,39)(H,35,40)(H,36,41)(H,43,44)/t16-,21+,23+,24-,25-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity measured against [3H]DPDPE (Opioid receptor delta 1 ligand) in rat brain using radioreceptor binding assays.


J Med Chem 34: 1823-30 (1991)


BindingDB Entry DOI: 10.7270/Q21N81QB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50453049
PNG
(CHEMBL2115043)
Show SMILES [H][C@]1(NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)[C@H](C)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C31H40N6O9S2/c1-16(18-8-10-19(11-9-18)37(45)46)23-27(41)36-25(29(43)44)31(4,5)48-47-30(2,3)24(28(42)33-15-22(39)34-23)35-26(40)21(32)14-17-6-12-20(38)13-7-17/h6-13,16,21,23-25,38H,14-15,32H2,1-5H3,(H,33,42)(H,34,39)(H,35,40)(H,36,41)(H,43,44)/t16-,21+,23+,24-,25-/m1/s1
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24n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity measured against [3H]CTOP (Opioid receptor mu 1) in rat brain using radioreceptor binding assays.


J Med Chem 34: 1823-30 (1991)


BindingDB Entry DOI: 10.7270/Q21N81QB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50453050
PNG
(CHEMBL2115466)
Show SMILES [H][C@@]1(NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)[C@@H](C)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C31H40N6O9S2/c1-16(18-8-10-19(11-9-18)37(45)46)23-27(41)36-25(29(43)44)31(4,5)48-47-30(2,3)24(28(42)33-15-22(39)34-23)35-26(40)21(32)14-17-6-12-20(38)13-7-17/h6-13,16,21,23-25,38H,14-15,32H2,1-5H3,(H,33,42)(H,34,39)(H,35,40)(H,36,41)(H,43,44)/t16-,21-,23+,24+,25+/m0/s1
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180n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity measured against [3H]DPDPE (Opioid receptor delta 1 ligand) in rat brain using radioreceptor binding assays.


J Med Chem 34: 1823-30 (1991)


BindingDB Entry DOI: 10.7270/Q21N81QB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50453050
PNG
(CHEMBL2115466)
Show SMILES [H][C@@]1(NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)[C@@H](C)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C31H40N6O9S2/c1-16(18-8-10-19(11-9-18)37(45)46)23-27(41)36-25(29(43)44)31(4,5)48-47-30(2,3)24(28(42)33-15-22(39)34-23)35-26(40)21(32)14-17-6-12-20(38)13-7-17/h6-13,16,21,23-25,38H,14-15,32H2,1-5H3,(H,33,42)(H,34,39)(H,35,40)(H,36,41)(H,43,44)/t16-,21-,23+,24+,25+/m0/s1
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240n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity measured against [3H]CTOP (Opioid receptor mu 1) in rat brain using radioreceptor binding assays.


J Med Chem 34: 1823-30 (1991)


BindingDB Entry DOI: 10.7270/Q21N81QB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50453048
PNG
(CHEMBL2115042)
Show SMILES [H][C@@]1(NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)[C@H](C)c1ccccc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-9-7-6-8-10-19)23-27(40)36-25(29(42)43)31(4,5)45-44-30(2,3)24(28(41)33-16-22(38)34-23)35-26(39)21(32)15-18-11-13-20(37)14-12-18/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t17-,21+,23-,24-,25-/m1/s1
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390n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity measured against [3H]DPDPE (Opioid receptor delta 1 ligand) in rat brain using radioreceptor binding assays.


J Med Chem 34: 1823-30 (1991)


BindingDB Entry DOI: 10.7270/Q21N81QB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50453051
PNG
(CHEMBL2115465)
Show SMILES [H][C@@]1(NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-9-7-6-8-10-19)23-27(40)36-25(29(42)43)31(4,5)45-44-30(2,3)24(28(41)33-16-22(38)34-23)35-26(39)21(32)15-18-11-13-20(37)14-12-18/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t17-,21-,23+,24+,25+/m0/s1
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450n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity measured against [3H]DPDPE (Opioid receptor delta 1 ligand) in rat brain using radioreceptor binding assays.


J Med Chem 34: 1823-30 (1991)


BindingDB Entry DOI: 10.7270/Q21N81QB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50453048
PNG
(CHEMBL2115042)
Show SMILES [H][C@@]1(NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)[C@H](C)c1ccccc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-9-7-6-8-10-19)23-27(40)36-25(29(42)43)31(4,5)45-44-30(2,3)24(28(41)33-16-22(38)34-23)35-26(39)21(32)15-18-11-13-20(37)14-12-18/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t17-,21+,23-,24-,25-/m1/s1
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1.70E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity measured against [3H]CTOP (Opioid receptor mu 1) in rat brain using radioreceptor binding assays.


J Med Chem 34: 1823-30 (1991)


BindingDB Entry DOI: 10.7270/Q21N81QB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50453051
PNG
(CHEMBL2115465)
Show SMILES [H][C@@]1(NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-9-7-6-8-10-19)23-27(40)36-25(29(42)43)31(4,5)45-44-30(2,3)24(28(41)33-16-22(38)34-23)35-26(39)21(32)15-18-11-13-20(37)14-12-18/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t17-,21-,23+,24+,25+/m0/s1
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8.20E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity measured against [3H]CTOP (Opioid receptor mu 1) in rat brain using radioreceptor binding assays.


J Med Chem 34: 1823-30 (1991)


BindingDB Entry DOI: 10.7270/Q21N81QB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50453048
PNG
(CHEMBL2115042)
Show SMILES [H][C@@]1(NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC1=O)C(O)=O)[C@H](C)c1ccccc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-9-7-6-8-10-19)23-27(40)36-25(29(42)43)31(4,5)45-44-30(2,3)24(28(41)33-16-22(38)34-23)35-26(39)21(32)15-18-11-13-20(37)14-12-18/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t17-,21+,23-,24-,25-/m1/s1
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1.40E+4n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity measured against [3H]CTOP binding to Opioid receptor mu 1 in rat brain using radioreceptor binding assays.


J Med Chem 34: 1823-30 (1991)


BindingDB Entry DOI: 10.7270/Q21N81QB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50010705
PNG
(CHEMBL385759 | H-Tyr-Gly-Gly-Phe-Cys-Arg-Arg-Ile-A...)
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](CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C57H89N21O12S2/c1-3-31(2)45-53(89)74-38(15-9-23-68-57(64)65)54(90)78-24-10-16-42(78)52(88)75-40(46(59)82)29-91-92-30-41(51(87)73-36(13-7-21-66-55(60)61)48(84)72-37(49(85)77-45)14-8-22-67-56(62)63)76-50(86)39(26-32-11-5-4-6-12-32)71-44(81)28-69-43(80)27-70-47(83)35(58)25-33-17-19-34(79)20-18-33/h4-6,11-12,17-20,31,35-42,45,79H,3,7-10,13-16,21-30,58H2,1-2H3,(H2,59,82)(H,69,80)(H,70,83)(H,71,81)(H,72,84)(H,73,87)(H,74,89)(H,75,88)(H,76,86)(H,77,85)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)/t31-,35-,36-,37-,38-,39-,40-,41-,42-,45-/m0/s1
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n/an/a 0.0270n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 in guinea pig brain homogenate using [3H]- PL-17 as radioligand


J Med Chem 33: 1874-9 (1990)


BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040125
PNG
(CHEMBL438274 | Tyr-Gly-Gly-Phe-Leu-Arg-Arg-c(Cys-A...)
Show SMILES CC(C)C[C@H](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)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O
Show InChI InChI=1S/C69H111N23O15S2/c1-38(2)30-48(89-62(102)50(33-40-14-6-5-7-15-40)83-55(95)35-81-54(94)34-82-56(96)43(71)32-41-21-23-42(93)24-22-41)60(100)85-45(17-10-26-78-67(72)73)57(97)84-46(18-11-27-79-68(74)75)59(99)90-51-36-108-109-37-52(66(106)107)91-61(101)49(31-39(3)4)88-58(98)44(16-8-9-25-70)86-64(104)53-20-13-29-92(53)65(105)47(87-63(51)103)19-12-28-80-69(76)77/h5-7,14-15,21-24,38-39,43-53,93H,8-13,16-20,25-37,70-71H2,1-4H3,(H,81,94)(H,82,96)(H,83,95)(H,84,97)(H,85,100)(H,86,104)(H,87,103)(H,88,98)(H,89,102)(H,90,99)(H,91,101)(H,106,107)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t43-,44-,45-,46-,47-,48-,49+,50-,51-,52+,53+/m0/s1
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n/an/a 0.0350n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to kappa opoid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040126
PNG
(CHEMBL265241 | Tyr-Gly-Gly-Phe-leu-c(Cys-Arg-Ile-A...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C58H92N18O13S2/c1-5-33(4)47-55(87)71-38(16-11-23-65-57(61)62)49(81)74-44(54(86)72-40(56(88)89)15-9-10-22-59)31-91-90-30-43(53(85)70-39(50(82)76-47)17-12-24-66-58(63)64)75-51(83)41(25-32(2)3)73-52(84)42(27-34-13-7-6-8-14-34)69-46(79)29-67-45(78)28-68-48(80)37(60)26-35-18-20-36(77)21-19-35/h6-8,13-14,18-21,32-33,37-44,47,77H,5,9-12,15-17,22-31,59-60H2,1-4H3,(H,67,78)(H,68,80)(H,69,79)(H,70,85)(H,71,87)(H,72,86)(H,73,84)(H,74,81)(H,75,83)(H,76,82)(H,88,89)(H4,61,62,65)(H4,63,64,66)/t33-,37-,38-,39-,40-,41-,42-,43-,44-,47+/m0/s1
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n/an/a 0.0470n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to kappa opoid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50010703
PNG
(CHEMBL443068 | H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Cys-A...)
Show SMILES CC(C)C[C@H](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)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C69H112N24O14S2/c1-38(2)30-48(90-63(104)50(33-40-14-6-5-7-15-40)84-55(96)35-82-54(95)34-83-57(98)43(71)32-41-21-23-42(94)24-22-41)61(102)86-45(17-10-26-79-67(73)74)58(99)85-46(18-11-27-80-68(75)76)60(101)92-52-37-109-108-36-51(56(72)97)91-62(103)49(31-39(3)4)89-59(100)44(16-8-9-25-70)87-65(106)53-20-13-29-93(53)66(107)47(88-64(52)105)19-12-28-81-69(77)78/h5-7,14-15,21-24,38-39,43-53,94H,8-13,16-20,25-37,70-71H2,1-4H3,(H2,72,97)(H,82,95)(H,83,98)(H,84,96)(H,85,99)(H,86,102)(H,87,106)(H,88,105)(H,89,100)(H,90,104)(H,91,103)(H,92,101)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
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n/an/a 0.0740n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 in guinea pig brain homogenate using [3H]- U-69593 as radioligand


J Med Chem 33: 1874-9 (1990)


BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040123
PNG
(CHEMBL438223 | HTry-Gly-Gly-Phe-Leu-Arg-Arg-lle-Ar...)
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(O)=O
Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
PDB

UniProtKB/SwissProt

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UniChem

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PubMed
n/an/a 0.0770n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to kappa opoid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50010704
PNG
(CHEMBL216640 | Dyn A(1-11)-NH2 | Dynorphin A analo...)
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
PDB

UniProtKB/SwissProt

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n/an/a 0.0770n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 in guinea pig brain homogenate using [3H]- U-69593 as radioligand


J Med Chem 33: 1874-9 (1990)


BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50040126
PNG
(CHEMBL265241 | Tyr-Gly-Gly-Phe-leu-c(Cys-Arg-Ile-A...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C58H92N18O13S2/c1-5-33(4)47-55(87)71-38(16-11-23-65-57(61)62)49(81)74-44(54(86)72-40(56(88)89)15-9-10-22-59)31-91-90-30-43(53(85)70-39(50(82)76-47)17-12-24-66-58(63)64)75-51(83)41(25-32(2)3)73-52(84)42(27-34-13-7-6-8-14-34)69-46(79)29-67-45(78)28-68-48(80)37(60)26-35-18-20-36(77)21-19-35/h6-8,13-14,18-21,32-33,37-44,47,77H,5,9-12,15-17,22-31,59-60H2,1-4H3,(H,67,78)(H,68,80)(H,69,79)(H,70,85)(H,71,87)(H,72,86)(H,73,84)(H,74,81)(H,75,83)(H,76,82)(H,88,89)(H4,61,62,65)(H4,63,64,66)/t33-,37-,38-,39-,40-,41-,42-,43-,44-,47+/m0/s1
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n/an/a 0.0910n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PL-17 binding to mu opioid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50010701
PNG
(CHEMBL410616 | H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-D-Cys...)
Show SMILES CC(C)C[C@H](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)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C69H112N24O14S2/c1-38(2)30-48(90-63(104)50(33-40-14-6-5-7-15-40)84-55(96)35-82-54(95)34-83-57(98)43(71)32-41-21-23-42(94)24-22-41)61(102)86-45(17-10-26-79-67(73)74)58(99)85-46(18-11-27-80-68(75)76)60(101)92-52-37-109-108-36-51(56(72)97)91-62(103)49(31-39(3)4)89-59(100)44(16-8-9-25-70)87-65(106)53-20-13-29-93(53)66(107)47(88-64(52)105)19-12-28-81-69(77)78/h5-7,14-15,21-24,38-39,43-53,94H,8-13,16-20,25-37,70-71H2,1-4H3,(H2,72,97)(H,82,95)(H,83,98)(H,84,96)(H,85,99)(H,86,102)(H,87,106)(H,88,105)(H,89,100)(H,90,104)(H,91,103)(H,92,101)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t43-,44-,45-,46-,47-,48-,49-,50-,51+,52+,53-/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 in guinea pig brain homogenate using [3H]- U-69593 as radioligand


J Med Chem 33: 1874-9 (1990)


BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM224024
PNG
(BDBM50241435 | Dynorphin A (1-13) | YGGFLRRXRPKLK)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
PDB

UniProtKB/SwissProt

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UniChem
PubMed
n/an/a 0.114n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to kappa opoid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002184
PNG
(CHEMBL415330 | H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-A...)
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(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C75H127N25O14/c1-7-45(6)61(71(113)96-54(25-17-35-88-75(84)85)72(114)100-36-18-26-58(100)70(112)95-51(22-12-14-32-77)65(107)97-55(37-43(2)3)67(109)92-50(62(79)104)21-11-13-31-76)99-66(108)53(24-16-34-87-74(82)83)93-64(106)52(23-15-33-86-73(80)81)94-68(110)56(38-44(4)5)98-69(111)57(40-46-19-9-8-10-20-46)91-60(103)42-89-59(102)41-90-63(105)49(78)39-47-27-29-48(101)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,101H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H2,79,104)(H,89,102)(H,90,105)(H,91,103)(H,92,109)(H,93,106)(H,94,110)(H,95,112)(H,96,113)(H,97,107)(H,98,111)(H,99,108)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
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PubMed
n/an/a 0.114n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 in guinea pig brain homogenate using [3H]- U-69593 as radioligand


J Med Chem 33: 1874-9 (1990)


BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040131
PNG
(CHEMBL409793 | Tyr-Gly-Gly-Phe-Leu-Arg-Arg-c((D-Cy...)
Show SMILES CC(C)C[C@H](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)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C69H112N24O15S2/c1-39(2)32-49(90-61(102)50(34-40-14-4-3-5-15-40)84-55(96)36-82-54(95)35-83-56(97)43(72)33-41-22-24-42(94)25-23-41)60(101)86-45(18-10-28-79-67(73)74)57(98)85-46(19-11-29-80-68(75)76)59(100)91-51-37-109-110-38-52(63(104)89-48(66(107)108)17-7-9-27-71)92-58(99)44(16-6-8-26-70)87-64(105)53-21-13-31-93(53)65(106)47(88-62(51)103)20-12-30-81-69(77)78/h3-5,14-15,22-25,39,43-53,94H,6-13,16-21,26-38,70-72H2,1-2H3,(H,82,95)(H,83,97)(H,84,96)(H,85,98)(H,86,101)(H,87,105)(H,88,103)(H,89,104)(H,90,102)(H,91,100)(H,92,99)(H,107,108)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t43-,44+,45-,46-,47+,48-,49-,50-,51+,52-,53-/m0/s1
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n/an/a 0.116n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to kappa opoid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040132
PNG
(CHEMBL411196 | Tyr-Gly-Gly-Phe-c(Cys-Arg-Arg-Ile-A...)
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](CSSC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C69H111N23O15S2/c1-5-39(4)55-64(104)87-47(20-13-29-80-69(76)77)65(105)92-30-14-21-52(92)63(103)86-44(17-9-10-26-70)58(98)88-48(31-38(2)3)60(100)90-51(66(106)107)37-109-108-36-50(62(102)85-45(18-11-27-78-67(72)73)57(97)84-46(59(99)91-55)19-12-28-79-68(74)75)89-61(101)49(33-40-15-7-6-8-16-40)83-54(95)35-81-53(94)34-82-56(96)43(71)32-41-22-24-42(93)25-23-41/h6-8,15-16,22-25,38-39,43-52,55,93H,5,9-14,17-21,26-37,70-71H2,1-4H3,(H,81,94)(H,82,96)(H,83,95)(H,84,97)(H,85,102)(H,86,103)(H,87,104)(H,88,98)(H,89,101)(H,90,100)(H,91,99)(H,106,107)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t39-,43-,44-,45+,46-,47-,48+,49-,50+,51+,52-,55+/m0/s1
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n/an/a 0.210n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to kappa opoid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50010702
PNG
(CHEMBL411557 | DYNORPHIN(1-17)-OH | Dynorphin A (1...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(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](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r,wU:38.46,19.26,4.4,2.2,88.90,128.132,144.148,70.71,105.107,wD:57.58,30.34,8.15,84.87,97.99,114.116,136.140,(27.24,-21.93,;25.83,-21.28,;25.7,-19.76,;26.97,-18.87,;24.28,-19.11,;24.14,-17.56,;25.39,-16.68,;26.8,-17.34,;25.25,-15.13,;23.87,-14.49,;23.73,-12.97,;22.32,-12.32,;22.18,-10.79,;20.78,-10.14,;19.51,-11.03,;20.63,-8.6,;26.5,-14.25,;26.41,-12.7,;25.05,-12.02,;27.68,-11.87,;29.07,-12.56,;30.37,-11.71,;31.74,-12.4,;33.01,-11.53,;34.37,-12.24,;34.46,-13.77,;35.67,-11.39,;27.59,-10.31,;28.87,-9.48,;30.26,-10.18,;28.78,-7.92,;27.42,-7.24,;26.12,-8.09,;24.76,-7.41,;26.21,-9.64,;30.05,-7.09,;29.97,-5.53,;28.6,-4.85,;31.24,-4.7,;32.63,-5.4,;32.72,-6.92,;31.45,-7.77,;31.55,-9.31,;32.93,-9.99,;34.21,-9.14,;34.11,-7.6,;31.15,-3.14,;32.43,-2.31,;33.81,-3.01,;32.34,-.76,;33.61,.08,;33.52,1.63,;32.16,2.32,;34.8,2.47,;34.71,4.01,;36,4.86,;37.37,4.17,;35.91,6.4,;37.19,7.24,;34.53,7.1,;33.23,6.24,;33.34,4.69,;32.06,3.84,;30.68,4.52,;29.39,3.71,;30.58,6.06,;31.86,6.91,;23.04,-19.99,;21.65,-19.34,;23.18,-21.52,;21.92,-22.42,;22.06,-23.97,;20.82,-24.84,;19.43,-24.2,;18.16,-25.1,;16.78,-24.46,;16.64,-22.94,;15.51,-25.35,;20.12,-21.58,;18.85,-22.48,;19.94,-19.61,;21.09,-18.4,;20.31,-16.91,;18.66,-17.19,;18.69,-18.75,;17.33,-19.47,;17.28,-21.01,;16.02,-18.66,;14.66,-19.38,;14.61,-20.92,;13.25,-21.64,;13.2,-23.18,;11.84,-23.91,;11.79,-25.45,;13.36,-18.57,;13.41,-17.03,;12,-19.29,;10.69,-18.48,;10.74,-16.94,;9.44,-16.12,;9.49,-14.58,;8.08,-16.85,;9.33,-19.2,;9.28,-20.74,;8.03,-18.39,;6.67,-19.11,;6.61,-20.65,;5.26,-21.37,;5.2,-22.91,;3.85,-23.64,;3.79,-25.18,;5.36,-18.3,;5.41,-16.76,;4,-19.02,;2.69,-18.21,;2.75,-16.67,;1.44,-15.85,;.01,-16.43,;-.98,-15.25,;-.16,-13.95,;-.59,-12.47,;.48,-11.36,;1.97,-11.73,;2.4,-13.21,;1.33,-14.32,;1.34,-18.93,;1.28,-20.47,;.03,-18.12,;-1.33,-18.84,;-1.38,-20.38,;-2.74,-21.1,;-4.05,-20.29,;-2.79,-22.64,;-2.64,-18.03,;-2.59,-16.49,;-4,-18.75,;-5.3,-17.94,;-5.25,-16.4,;-6.56,-15.58,;-7.92,-16.31,;-6.51,-14.04,;-6.66,-18.66,;-6.71,-20.2,;-7.97,-17.85,;-9.33,-18.57,;-9.38,-20.11,;-10.74,-20.83,;-10.79,-22.37,;-9.48,-23.19,;-12.15,-23.1,;-10.63,-17.76,;-11.99,-18.48,;-10.58,-16.22,)|
Show InChI InChI=1S/C99H155N31O23/c1-7-55(6)81(129-86(142)66(28-18-40-112-98(107)108)118-83(139)65(27-17-39-111-97(105)106)120-88(144)70(44-54(4)5)125-89(145)71(46-56-21-9-8-10-22-56)117-79(135)52-115-78(134)51-116-82(138)61(102)45-57-31-33-59(131)34-32-57)94(150)122-67(29-19-41-113-99(109)110)95(151)130-42-20-30-75(130)93(149)121-64(26-14-16-38-101)85(141)124-69(43-53(2)3)87(143)119-63(25-13-15-37-100)84(140)126-72(47-58-50-114-62-24-12-11-23-60(58)62)90(146)128-74(49-80(136)137)92(148)127-73(48-77(104)133)91(147)123-68(96(152)153)35-36-76(103)132/h8-12,21-24,31-34,50,53-55,61,63-75,81,114,131H,7,13-20,25-30,35-49,51-52,100-102H2,1-6H3,(H2,103,132)(H2,104,133)(H,115,134)(H,116,138)(H,117,135)(H,118,139)(H,119,143)(H,120,144)(H,121,149)(H,122,150)(H,123,147)(H,124,141)(H,125,145)(H,126,140)(H,127,148)(H,128,146)(H,129,142)(H,136,137)(H,152,153)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t55-,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.231n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to kappa opoid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50010702
PNG
(CHEMBL411557 | DYNORPHIN(1-17)-OH | Dynorphin A (1...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(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](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r,wU:38.46,19.26,4.4,2.2,88.90,128.132,144.148,70.71,105.107,wD:57.58,30.34,8.15,84.87,97.99,114.116,136.140,(27.24,-21.93,;25.83,-21.28,;25.7,-19.76,;26.97,-18.87,;24.28,-19.11,;24.14,-17.56,;25.39,-16.68,;26.8,-17.34,;25.25,-15.13,;23.87,-14.49,;23.73,-12.97,;22.32,-12.32,;22.18,-10.79,;20.78,-10.14,;19.51,-11.03,;20.63,-8.6,;26.5,-14.25,;26.41,-12.7,;25.05,-12.02,;27.68,-11.87,;29.07,-12.56,;30.37,-11.71,;31.74,-12.4,;33.01,-11.53,;34.37,-12.24,;34.46,-13.77,;35.67,-11.39,;27.59,-10.31,;28.87,-9.48,;30.26,-10.18,;28.78,-7.92,;27.42,-7.24,;26.12,-8.09,;24.76,-7.41,;26.21,-9.64,;30.05,-7.09,;29.97,-5.53,;28.6,-4.85,;31.24,-4.7,;32.63,-5.4,;32.72,-6.92,;31.45,-7.77,;31.55,-9.31,;32.93,-9.99,;34.21,-9.14,;34.11,-7.6,;31.15,-3.14,;32.43,-2.31,;33.81,-3.01,;32.34,-.76,;33.61,.08,;33.52,1.63,;32.16,2.32,;34.8,2.47,;34.71,4.01,;36,4.86,;37.37,4.17,;35.91,6.4,;37.19,7.24,;34.53,7.1,;33.23,6.24,;33.34,4.69,;32.06,3.84,;30.68,4.52,;29.39,3.71,;30.58,6.06,;31.86,6.91,;23.04,-19.99,;21.65,-19.34,;23.18,-21.52,;21.92,-22.42,;22.06,-23.97,;20.82,-24.84,;19.43,-24.2,;18.16,-25.1,;16.78,-24.46,;16.64,-22.94,;15.51,-25.35,;20.12,-21.58,;18.85,-22.48,;19.94,-19.61,;21.09,-18.4,;20.31,-16.91,;18.66,-17.19,;18.69,-18.75,;17.33,-19.47,;17.28,-21.01,;16.02,-18.66,;14.66,-19.38,;14.61,-20.92,;13.25,-21.64,;13.2,-23.18,;11.84,-23.91,;11.79,-25.45,;13.36,-18.57,;13.41,-17.03,;12,-19.29,;10.69,-18.48,;10.74,-16.94,;9.44,-16.12,;9.49,-14.58,;8.08,-16.85,;9.33,-19.2,;9.28,-20.74,;8.03,-18.39,;6.67,-19.11,;6.61,-20.65,;5.26,-21.37,;5.2,-22.91,;3.85,-23.64,;3.79,-25.18,;5.36,-18.3,;5.41,-16.76,;4,-19.02,;2.69,-18.21,;2.75,-16.67,;1.44,-15.85,;.01,-16.43,;-.98,-15.25,;-.16,-13.95,;-.59,-12.47,;.48,-11.36,;1.97,-11.73,;2.4,-13.21,;1.33,-14.32,;1.34,-18.93,;1.28,-20.47,;.03,-18.12,;-1.33,-18.84,;-1.38,-20.38,;-2.74,-21.1,;-4.05,-20.29,;-2.79,-22.64,;-2.64,-18.03,;-2.59,-16.49,;-4,-18.75,;-5.3,-17.94,;-5.25,-16.4,;-6.56,-15.58,;-7.92,-16.31,;-6.51,-14.04,;-6.66,-18.66,;-6.71,-20.2,;-7.97,-17.85,;-9.33,-18.57,;-9.38,-20.11,;-10.74,-20.83,;-10.79,-22.37,;-9.48,-23.19,;-12.15,-23.1,;-10.63,-17.76,;-11.99,-18.48,;-10.58,-16.22,)|
Show InChI InChI=1S/C99H155N31O23/c1-7-55(6)81(129-86(142)66(28-18-40-112-98(107)108)118-83(139)65(27-17-39-111-97(105)106)120-88(144)70(44-54(4)5)125-89(145)71(46-56-21-9-8-10-22-56)117-79(135)52-115-78(134)51-116-82(138)61(102)45-57-31-33-59(131)34-32-57)94(150)122-67(29-19-41-113-99(109)110)95(151)130-42-20-30-75(130)93(149)121-64(26-14-16-38-101)85(141)124-69(43-53(2)3)87(143)119-63(25-13-15-37-100)84(140)126-72(47-58-50-114-62-24-12-11-23-60(58)62)90(146)128-74(49-80(136)137)92(148)127-73(48-77(104)133)91(147)123-68(96(152)153)35-36-76(103)132/h8-12,21-24,31-34,50,53-55,61,63-75,81,114,131H,7,13-20,25-30,35-49,51-52,100-102H2,1-6H3,(H2,103,132)(H2,104,133)(H,115,134)(H,116,138)(H,117,135)(H,118,139)(H,119,143)(H,120,144)(H,121,149)(H,122,150)(H,123,147)(H,124,141)(H,125,145)(H,126,140)(H,127,148)(H,128,146)(H,129,142)(H,136,137)(H,152,153)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t55-,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.231n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 in guinea pig brain homogenate using [3H]- U-69593 as radioligand


J Med Chem 33: 1874-9 (1990)


BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50010705
PNG
(CHEMBL385759 | H-Tyr-Gly-Gly-Phe-Cys-Arg-Arg-Ile-A...)
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](CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C57H89N21O12S2/c1-3-31(2)45-53(89)74-38(15-9-23-68-57(64)65)54(90)78-24-10-16-42(78)52(88)75-40(46(59)82)29-91-92-30-41(51(87)73-36(13-7-21-66-55(60)61)48(84)72-37(49(85)77-45)14-8-22-67-56(62)63)76-50(86)39(26-32-11-5-4-6-12-32)71-44(81)28-69-43(80)27-70-47(83)35(58)25-33-17-19-34(79)20-18-33/h4-6,11-12,17-20,31,35-42,45,79H,3,7-10,13-16,21-30,58H2,1-2H3,(H2,59,82)(H,69,80)(H,70,83)(H,71,81)(H,72,84)(H,73,87)(H,74,89)(H,75,88)(H,76,86)(H,77,85)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)/t31-,35-,36-,37-,38-,39-,40-,41-,42-,45-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.285n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 in guinea pig brain homogenate using [3H]- U-69593 as radioligand


J Med Chem 33: 1874-9 (1990)


BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50010701
PNG
(CHEMBL410616 | H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-D-Cys...)
Show SMILES CC(C)C[C@H](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)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C69H112N24O14S2/c1-38(2)30-48(90-63(104)50(33-40-14-6-5-7-15-40)84-55(96)35-82-54(95)34-83-57(98)43(71)32-41-21-23-42(94)24-22-41)61(102)86-45(17-10-26-79-67(73)74)58(99)85-46(18-11-27-80-68(75)76)60(101)92-52-37-109-108-36-51(56(72)97)91-62(103)49(31-39(3)4)89-59(100)44(16-8-9-25-70)87-65(106)53-20-13-29-93(53)66(107)47(88-64(52)105)19-12-28-81-69(77)78/h5-7,14-15,21-24,38-39,43-53,94H,8-13,16-20,25-37,70-71H2,1-4H3,(H2,72,97)(H,82,95)(H,83,98)(H,84,96)(H,85,99)(H,86,102)(H,87,106)(H,88,105)(H,89,100)(H,90,104)(H,91,103)(H,92,101)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t43-,44-,45-,46-,47-,48-,49-,50-,51+,52+,53-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.362n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 in guinea pig brain homogenate using [3H]- PL-17 as radioligand


J Med Chem 33: 1874-9 (1990)


BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50040125
PNG
(CHEMBL438274 | Tyr-Gly-Gly-Phe-Leu-Arg-Arg-c(Cys-A...)
Show SMILES CC(C)C[C@H](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)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O
Show InChI InChI=1S/C69H111N23O15S2/c1-38(2)30-48(89-62(102)50(33-40-14-6-5-7-15-40)83-55(95)35-81-54(94)34-82-56(96)43(71)32-41-21-23-42(93)24-22-41)60(100)85-45(17-10-26-78-67(72)73)57(97)84-46(18-11-27-79-68(74)75)59(99)90-51-36-108-109-37-52(66(106)107)91-61(101)49(31-39(3)4)88-58(98)44(16-8-9-25-70)86-64(104)53-20-13-29-92(53)65(105)47(87-63(51)103)19-12-28-80-69(76)77/h5-7,14-15,21-24,38-39,43-53,93H,8-13,16-20,25-37,70-71H2,1-4H3,(H,81,94)(H,82,96)(H,83,95)(H,84,97)(H,85,100)(H,86,104)(H,87,103)(H,88,98)(H,89,102)(H,90,99)(H,91,101)(H,106,107)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t43-,44-,45-,46-,47-,48-,49+,50-,51-,52+,53+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.380n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PL-17 binding to mu opioid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50010700
PNG
(CHEMBL265824 | H-Tyr-Gly-Gly-Phe-Cys-Arg-Arg-D-Ala...)
Show SMILES C[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C54H83N21O12S2/c1-29-44(80)72-36(13-7-21-65-54(61)62)51(87)75-22-8-14-40(75)50(86)73-38(43(56)79)27-88-89-28-39(49(85)71-35(12-6-20-64-53(59)60)47(83)70-34(46(82)68-29)11-5-19-63-52(57)58)74-48(84)37(24-30-9-3-2-4-10-30)69-42(78)26-66-41(77)25-67-45(81)33(55)23-31-15-17-32(76)18-16-31/h2-4,9-10,15-18,29,33-40,76H,5-8,11-14,19-28,55H2,1H3,(H2,56,79)(H,66,77)(H,67,81)(H,68,82)(H,69,78)(H,70,83)(H,71,85)(H,72,80)(H,73,86)(H,74,84)(H4,57,58,63)(H4,59,60,64)(H4,61,62,65)/t29-,33+,34+,35+,36+,37+,38+,39+,40+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 0.391n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 in guinea pig brain homogenate using [3H]- U-69593 as radioligand


J Med Chem 33: 1874-9 (1990)


BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040130
PNG
(CHEMBL415406 | Tyr-Gly-Gly-Phe-c(Cys-Arg-Arg-Ile-C...)
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](CSSC[C@@H](NC1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCCN)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C58H93N21O13S2/c1-3-32(2)46-54(90)78-43(53(89)75-38(16-10-24-68-57(63)64)49(85)76-40(55(91)92)14-7-8-22-59)31-94-93-30-42(52(88)74-37(15-9-23-67-56(61)62)48(84)73-39(50(86)79-46)17-11-25-69-58(65)66)77-51(87)41(27-33-12-5-4-6-13-33)72-45(82)29-70-44(81)28-71-47(83)36(60)26-34-18-20-35(80)21-19-34/h4-6,12-13,18-21,32,36-43,46,80H,3,7-11,14-17,22-31,59-60H2,1-2H3,(H,70,81)(H,71,83)(H,72,82)(H,73,84)(H,74,88)(H,75,89)(H,76,85)(H,77,87)(H,78,90)(H,79,86)(H,91,92)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t32-,36-,37+,38+,39-,40+,41-,42+,43+,46+/m0/s1
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PubMed
n/an/a 0.420n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to kappa opoid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50040126
PNG
(CHEMBL265241 | Tyr-Gly-Gly-Phe-leu-c(Cys-Arg-Ile-A...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C58H92N18O13S2/c1-5-33(4)47-55(87)71-38(16-11-23-65-57(61)62)49(81)74-44(54(86)72-40(56(88)89)15-9-10-22-59)31-91-90-30-43(53(85)70-39(50(82)76-47)17-12-24-66-58(63)64)75-51(83)41(25-32(2)3)73-52(84)42(27-34-13-7-6-8-14-34)69-46(79)29-67-45(78)28-68-48(80)37(60)26-35-18-20-36(77)21-19-35/h6-8,13-14,18-21,32-33,37-44,47,77H,5,9-12,15-17,22-31,59-60H2,1-4H3,(H,67,78)(H,68,80)(H,69,79)(H,70,85)(H,71,87)(H,72,86)(H,73,84)(H,74,81)(H,75,83)(H,76,82)(H,88,89)(H4,61,62,65)(H4,63,64,66)/t33-,37-,38-,39-,40-,41-,42-,43-,44-,47+/m0/s1
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n/an/a 0.475n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPDPE binding to delta opioid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040124
PNG
(CHEMBL414494 | Tyr-Gly-Gly-Phe-c((L-Pen)-Arg-Arg-I...)
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](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O
Show InChI InChI=1S/C59H92N20O13S2/c1-5-32(2)45-52(88)75-39(17-11-25-69-58(65)66)54(90)79-26-12-18-42(79)51(87)76-41(55(91)92)31-93-94-59(3,4)46(53(89)74-37(15-9-23-67-56(61)62)48(84)73-38(49(85)77-45)16-10-24-68-57(63)64)78-50(86)40(28-33-13-7-6-8-14-33)72-44(82)30-70-43(81)29-71-47(83)36(60)27-34-19-21-35(80)22-20-34/h6-8,13-14,19-22,32,36-42,45-46,80H,5,9-12,15-18,23-31,60H2,1-4H3,(H,70,81)(H,71,83)(H,72,82)(H,73,84)(H,74,89)(H,75,88)(H,76,87)(H,77,85)(H,78,86)(H,91,92)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t32-,36-,37+,38-,39-,40-,41+,42+,45+,46-/m0/s1
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n/an/a 0.522n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to kappa opoid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040133
PNG
(CHEMBL444626 | Tyr-Gly-Gly-Phe-c(Cys-Arg-Arg-Ile-A...)
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](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C58H93N21O13S2/c1-3-32(2)46-54(90)75-38(16-10-24-68-57(63)64)49(85)77-43(53(89)76-40(55(91)92)14-7-8-22-59)31-94-93-30-42(52(88)74-37(15-9-23-67-56(61)62)48(84)73-39(50(86)79-46)17-11-25-69-58(65)66)78-51(87)41(27-33-12-5-4-6-13-33)72-45(82)29-70-44(81)28-71-47(83)36(60)26-34-18-20-35(80)21-19-34/h4-6,12-13,18-21,32,36-43,46,80H,3,7-11,14-17,22-31,59-60H2,1-2H3,(H,70,81)(H,71,83)(H,72,82)(H,73,84)(H,74,88)(H,75,90)(H,76,89)(H,77,85)(H,78,87)(H,79,86)(H,91,92)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t32-,36-,37-,38+,39+,40-,41-,42+,43+,46-/m0/s1
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n/an/a 0.593n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to kappa opoid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50040131
PNG
(CHEMBL409793 | Tyr-Gly-Gly-Phe-Leu-Arg-Arg-c((D-Cy...)
Show SMILES CC(C)C[C@H](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)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C69H112N24O15S2/c1-39(2)32-49(90-61(102)50(34-40-14-4-3-5-15-40)84-55(96)36-82-54(95)35-83-56(97)43(72)33-41-22-24-42(94)25-23-41)60(101)86-45(18-10-28-79-67(73)74)57(98)85-46(19-11-29-80-68(75)76)59(100)91-51-37-109-110-38-52(63(104)89-48(66(107)108)17-7-9-27-71)92-58(99)44(16-6-8-26-70)87-64(105)53-21-13-31-93(53)65(106)47(88-62(51)103)20-12-30-81-69(77)78/h3-5,14-15,22-25,39,43-53,94H,6-13,16-21,26-38,70-72H2,1-2H3,(H,82,95)(H,83,97)(H,84,96)(H,85,98)(H,86,101)(H,87,105)(H,88,103)(H,89,104)(H,90,102)(H,91,100)(H,92,99)(H,107,108)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t43-,44+,45-,46-,47+,48-,49-,50-,51+,52-,53-/m0/s1
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n/an/a 0.674n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PL-17 binding to mu opioid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040127
PNG
(CHEMBL386722 | Tyr-Gly-Gly-Phe-c(Cys-Arg-Arg-Ile-C...)
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](CSSC[C@@H](NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C57H88N18O13S2/c1-3-32(2)46-53(85)73-42(54(86)75-25-11-17-43(75)52(84)71-39(55(87)88)14-7-8-22-58)31-90-89-30-41(51(83)70-37(15-9-23-64-56(60)61)48(80)69-38(49(81)74-46)16-10-24-65-57(62)63)72-50(82)40(27-33-12-5-4-6-13-33)68-45(78)29-66-44(77)28-67-47(79)36(59)26-34-18-20-35(76)21-19-34/h4-6,12-13,18-21,32,36-43,46,76H,3,7-11,14-17,22-31,58-59H2,1-2H3,(H,66,77)(H,67,79)(H,68,78)(H,69,80)(H,70,83)(H,71,84)(H,72,82)(H,73,85)(H,74,81)(H,87,88)(H4,60,61,64)(H4,62,63,65)/t32-,36-,37+,38-,39+,40-,41+,42+,43+,46+/m0/s1
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n/an/a 0.868n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to kappa opoid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50000806
PNG
(13-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propiony...)
Show SMILES Cc1cc(O)ccc1C[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
Show InChI InChI=1S/C31H41N5O7S2/c1-17-13-20(37)12-11-19(17)15-21(32)26(39)35-24-28(41)33-16-23(38)34-22(14-18-9-7-6-8-10-18)27(40)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-13,21-22,24-25,37H,14-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t21-,22-,24-,25-/m0/s1
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n/an/a 0.890n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity in comparison with [3H]- DPDPE (opioid receptor delta selective ligand)


J Med Chem 35: 2384-91 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6Q4K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50010703
PNG
(CHEMBL443068 | H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Cys-A...)
Show SMILES CC(C)C[C@H](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)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C69H112N24O14S2/c1-38(2)30-48(90-63(104)50(33-40-14-6-5-7-15-40)84-55(96)35-82-54(95)34-83-57(98)43(71)32-41-21-23-42(94)24-22-41)61(102)86-45(17-10-26-79-67(73)74)58(99)85-46(18-11-27-80-68(75)76)60(101)92-52-37-109-108-36-51(56(72)97)91-62(103)49(31-39(3)4)89-59(100)44(16-8-9-25-70)87-65(106)53-20-13-29-93(53)66(107)47(88-64(52)105)19-12-28-81-69(77)78/h5-7,14-15,21-24,38-39,43-53,94H,8-13,16-20,25-37,70-71H2,1-4H3,(H2,72,97)(H,82,95)(H,83,98)(H,84,96)(H,85,99)(H,86,102)(H,87,106)(H,88,105)(H,89,100)(H,90,104)(H,91,103)(H,92,101)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
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n/an/a 0.986n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 in guinea pig brain homogenate using [3H]- PL-17 as radioligand


J Med Chem 33: 1874-9 (1990)


BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50040123
PNG
(CHEMBL438223 | HTry-Gly-Gly-Phe-Leu-Arg-Arg-lle-Ar...)
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(O)=O
Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,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
Inhibition of [3H]-PL-17 binding to mu opioid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50010704
PNG
(CHEMBL216640 | Dyn A(1-11)-NH2 | Dynorphin A analo...)
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 1.10n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 in guinea pig brain homogenate using [3H]- PL-17 as radioligand


J Med Chem 33: 1874-9 (1990)


BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50020202
PNG
(CHEMBL2369466 | D-Tic-c(Cys-Tyr-D-Trp-Lys-Thr-Pen-...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC(C)(C)[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@H]1Cc2ccccc2CN1)[C@@H](C)O
Show InChI InChI=1S/C52H69N11O11S2/c1-27(64)41(44(54)67)61-51(74)43-52(3,4)76-75-26-40(60-46(69)37-22-30-11-5-6-12-31(30)24-56-37)49(72)58-38(21-29-16-18-33(66)19-17-29)47(70)59-39(23-32-25-55-35-14-8-7-13-34(32)35)48(71)57-36(15-9-10-20-53)45(68)62-42(28(2)65)50(73)63-43/h5-8,11-14,16-19,25,27-28,36-43,55-56,64-66H,9-10,15,20-24,26,53H2,1-4H3,(H2,54,67)(H,57,71)(H,58,72)(H,59,70)(H,60,69)(H,61,74)(H,62,68)(H,63,73)/t27-,28-,36+,37-,38-,39+,40+,41+,42+,43-/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 in competition with [3H]- CTOP in Opioid receptor mu 1 binding to rat brain membrane


J Med Chem 31: 2170-7 (1988)


BindingDB Entry DOI: 10.7270/Q2J38RJX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50020202
PNG
(CHEMBL2369466 | D-Tic-c(Cys-Tyr-D-Trp-Lys-Thr-Pen-...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC(C)(C)[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@H]1Cc2ccccc2CN1)[C@@H](C)O
Show InChI InChI=1S/C52H69N11O11S2/c1-27(64)41(44(54)67)61-51(74)43-52(3,4)76-75-26-40(60-46(69)37-22-30-11-5-6-12-31(30)24-56-37)49(72)58-38(21-29-16-18-33(66)19-17-29)47(70)59-39(23-32-25-55-35-14-8-7-13-34(32)35)48(71)57-36(15-9-10-20-53)45(68)62-42(28(2)65)50(73)63-43/h5-8,11-14,16-19,25,27-28,36-43,55-56,64-66H,9-10,15,20-24,26,53H2,1-4H3,(H2,54,67)(H,57,71)(H,58,72)(H,59,70)(H,60,69)(H,61,74)(H,62,68)(H,63,73)/t27-,28-,36+,37-,38-,39+,40+,41+,42+,43-/m1/s1
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University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity in competition with [3H]- DPDPE in Opioid receptor delta 1 binding to rat brain membrane


J Med Chem 31: 2170-7 (1988)


BindingDB Entry DOI: 10.7270/Q2J38RJX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM224024
PNG
(BDBM50241435 | Dynorphin A (1-13) | YGGFLRRXRPKLK)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/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 mu-selective antagonist binding to opioid receptor of guinea pig ileum


J Med Chem 36: 750-7 (1993)


BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM224024
PNG
(BDBM50241435 | Dynorphin A (1-13) | YGGFLRRXRPKLK)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
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University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PL-17 binding to mu opioid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50040124
PNG
(CHEMBL414494 | Tyr-Gly-Gly-Phe-c((L-Pen)-Arg-Arg-I...)
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](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O
Show InChI InChI=1S/C59H92N20O13S2/c1-5-32(2)45-52(88)75-39(17-11-25-69-58(65)66)54(90)79-26-12-18-42(79)51(87)76-41(55(91)92)31-93-94-59(3,4)46(53(89)74-37(15-9-23-67-56(61)62)48(84)73-38(49(85)77-45)16-10-24-68-57(63)64)78-50(86)40(28-33-13-7-6-8-14-33)72-44(82)30-70-43(81)29-71-47(83)36(60)27-34-19-21-35(80)22-20-34/h6-8,13-14,19-22,32,36-42,45-46,80H,5,9-12,15-18,23-31,60H2,1-4H3,(H,70,81)(H,71,83)(H,72,82)(H,73,84)(H,74,89)(H,75,88)(H,76,87)(H,77,85)(H,78,86)(H,91,92)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t32-,36-,37+,38-,39-,40-,41+,42+,45+,46-/m0/s1
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University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PL-17 binding to mu opioid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


BindingDB Entry DOI: 10.7270/Q2K936K7
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50010703
PNG
(CHEMBL443068 | H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Cys-A...)
Show SMILES CC(C)C[C@H](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)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C69H112N24O14S2/c1-38(2)30-48(90-63(104)50(33-40-14-6-5-7-15-40)84-55(96)35-82-54(95)34-83-57(98)43(71)32-41-21-23-42(94)24-22-41)61(102)86-45(17-10-26-79-67(73)74)58(99)85-46(18-11-27-80-68(75)76)60(101)92-52-37-109-108-36-51(56(72)97)91-62(103)49(31-39(3)4)89-59(100)44(16-8-9-25-70)87-65(106)53-20-13-29-93(53)66(107)47(88-64(52)105)19-12-28-81-69(77)78/h5-7,14-15,21-24,38-39,43-53,94H,8-13,16-20,25-37,70-71H2,1-4H3,(H2,72,97)(H,82,95)(H,83,98)(H,84,96)(H,85,99)(H,86,102)(H,87,106)(H,88,105)(H,89,100)(H,90,104)(H,91,103)(H,92,101)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Opioid receptors antagonist activity in smooth-muscle tissue of guinea pig ileum (GPI)


J Med Chem 33: 1874-9 (1990)


BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50002184
PNG
(CHEMBL415330 | H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-A...)
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(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C75H127N25O14/c1-7-45(6)61(71(113)96-54(25-17-35-88-75(84)85)72(114)100-36-18-26-58(100)70(112)95-51(22-12-14-32-77)65(107)97-55(37-43(2)3)67(109)92-50(62(79)104)21-11-13-31-76)99-66(108)53(24-16-34-87-74(82)83)93-64(106)52(23-15-33-86-73(80)81)94-68(110)56(38-44(4)5)98-69(111)57(40-46-19-9-8-10-20-46)91-60(103)42-89-59(102)41-90-63(105)49(78)39-47-27-29-48(101)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,101H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H2,79,104)(H,89,102)(H,90,105)(H,91,103)(H,92,109)(H,93,106)(H,94,110)(H,95,112)(H,96,113)(H,97,107)(H,98,111)(H,99,108)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
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University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 in guinea pig brain homogenate using [3H]- PL-17 as radioligand


J Med Chem 33: 1874-9 (1990)


BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50013105
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](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



University of Arizona

Curated by ChEMBL


Assay Description
Ability to displace [3H]DPDPE from Opioid receptor delta 1 in rat brain membranes, was determined from radioreceptor assay.


J Med Chem 33: 249-53 (1990)


BindingDB Entry DOI: 10.7270/Q2ST7QDR
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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University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity in comparison with [3H]-[p-Cl-Phe4]-DPDPE (opioid receptor delta selective ligand)


J Med Chem 35: 2384-91 (1992)


BindingDB Entry DOI: 10.7270/Q2DF6Q4K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50010705
PNG
(CHEMBL385759 | H-Tyr-Gly-Gly-Phe-Cys-Arg-Arg-Ile-A...)
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](CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C57H89N21O12S2/c1-3-31(2)45-53(89)74-38(15-9-23-68-57(64)65)54(90)78-24-10-16-42(78)52(88)75-40(46(59)82)29-91-92-30-41(51(87)73-36(13-7-21-66-55(60)61)48(84)72-37(49(85)77-45)14-8-22-67-56(62)63)76-50(86)39(26-32-11-5-4-6-12-32)71-44(81)28-69-43(80)27-70-47(83)35(58)25-33-17-19-34(79)20-18-33/h4-6,11-12,17-20,31,35-42,45,79H,3,7-10,13-16,21-30,58H2,1-2H3,(H2,59,82)(H,69,80)(H,70,83)(H,71,81)(H,72,84)(H,73,87)(H,74,89)(H,75,88)(H,76,86)(H,77,85)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)/t31-,35-,36-,37-,38-,39-,40-,41-,42-,45-/m0/s1
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University of Arizona

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Assay Description
Binding affinity against Opioid receptor delta 1 in guinea pig brain homogenate using [3H]- DPDPE as radioligand


J Med Chem 33: 1874-9 (1990)


BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50002184
PNG
(CHEMBL415330 | H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-A...)
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(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C75H127N25O14/c1-7-45(6)61(71(113)96-54(25-17-35-88-75(84)85)72(114)100-36-18-26-58(100)70(112)95-51(22-12-14-32-77)65(107)97-55(37-43(2)3)67(109)92-50(62(79)104)21-11-13-31-76)99-66(108)53(24-16-34-87-74(82)83)93-64(106)52(23-15-33-86-73(80)81)94-68(110)56(38-44(4)5)98-69(111)57(40-46-19-9-8-10-20-46)91-60(103)42-89-59(102)41-90-63(105)49(78)39-47-27-29-48(101)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,101H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H2,79,104)(H,89,102)(H,90,105)(H,91,103)(H,92,109)(H,93,106)(H,94,110)(H,95,112)(H,96,113)(H,97,107)(H,98,111)(H,99,108)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
PDB

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MCE
PC cid
PC sid
UniChem

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PubMed
n/an/a 1.70n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Opioid receptors antagonist activity in smooth-muscle tissue of guinea pig ileum (GPI)


J Med Chem 33: 1874-9 (1990)


BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50013107
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](Cc2ccc(Br)cc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H38BrN5O7S2/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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 1.70n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Ability to displace [3H]DPDPE from Opioid receptor delta 1 in rat brain membranes, was determined from radioreceptor assay.


J Med Chem 33: 249-53 (1990)


BindingDB Entry DOI: 10.7270/Q2ST7QDR
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50010706
PNG
(CHEMBL384250 | H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-D-Cys...)
Show SMILES CC(C)C[C@H](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)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C69H112N24O14S2/c1-38(2)30-48(90-63(104)50(33-40-14-6-5-7-15-40)84-55(96)35-82-54(95)34-83-57(98)43(71)32-41-21-23-42(94)24-22-41)61(102)86-45(17-10-26-79-67(73)74)58(99)85-46(18-11-27-80-68(75)76)60(101)92-52-37-109-108-36-51(56(72)97)91-62(103)49(31-39(3)4)89-59(100)44(16-8-9-25-70)87-65(106)53-20-13-29-93(53)66(107)47(88-64(52)105)19-12-28-81-69(77)78/h5-7,14-15,21-24,38-39,43-53,94H,8-13,16-20,25-37,70-71H2,1-4H3,(H2,72,97)(H,82,95)(H,83,98)(H,84,96)(H,85,99)(H,86,102)(H,87,106)(H,88,105)(H,89,100)(H,90,104)(H,91,103)(H,92,101)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52+,53-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.80n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 in guinea pig brain homogenate using [3H]- U-69593 as radioligand


J Med Chem 33: 1874-9 (1990)


BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
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