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78 molecules are shown

Compile data set for download or QSAR
Wt: 1562.8
BDBM50057380
Wt: 1588.8
BDBM50057381
Wt: 1574.8
BDBM50057382
Wt: 1605.8
BDBM50057385
Wt: 1488.7
BDBM50057386
Wt: 1560.8
BDBM50057387
Wt: 1502.8
BDBM50057391
Wt: 1474.7
BDBM50057393
Wt: 660.8
BDBM50086639
Purchase
Wt: 1234.4
BDBM50128074
Wt: 981.1
BDBM50128080
Wt: 1137.3
BDBM50128088
Wt: 1603.9
BDBM50128091
Purchase
Wt: 1505.7
BDBM50133192
Wt: 1471.6
BDBM50130890
<<  First   |  Previous   |  Displayed 16 to 30 (of 78 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 47 hits for monomerid = 50057380,50057381,50057382,50057385,50057386,50057387,50057391,50057393,50086639,50128074,50128080,50128088,50128091,50133192,50130890   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50128080
PNG
(CHEMBL217379 | DYNORPHIN(1-8)-OH | Tyr-Gly-Gly-Phe...)
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)=O
Show InChI InChI=1S/C46H72N14O10/c1-5-27(4)38(44(69)70)60-41(66)33(14-10-20-53-46(50)51)57-40(65)32(13-9-19-52-45(48)49)58-42(67)34(21-26(2)3)59-43(68)35(23-28-11-7-6-8-12-28)56-37(63)25-54-36(62)24-55-39(64)31(47)22-29-15-17-30(61)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,61H,5,9-10,13-14,19-25,47H2,1-4H3,(H,54,62)(H,55,64)(H,56,63)(H,57,65)(H,58,67)(H,59,68)(H,60,66)(H,69,70)(H4,48,49,52)(H4,50,51,53)/t27-,31-,32-,33-,34-,35-,38-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50128091
PNG
(CHEMBL265813 | Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-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(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(O)=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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0.230n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Opioid receptor kappa 1 on CHO cell membranes using [3H]diprenorphine displacement.


J Med Chem 46: 2104-9 (2003)


Article DOI: 10.1021/jm020125+
BindingDB Entry DOI: 10.7270/Q2NZ88CF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50128074
PNG
(CHEMBL269483 | Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-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(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(O)=O
Show InChI InChI=1S/C57H91N19O12/c1-5-33(4)46(52(85)73-40(17-11-25-67-57(63)64)53(86)76-26-12-18-43(76)54(87)88)75-49(82)39(16-10-24-66-56(61)62)71-48(81)38(15-9-23-65-55(59)60)72-50(83)41(27-32(2)3)74-51(84)42(29-34-13-7-6-8-14-34)70-45(79)31-68-44(78)30-69-47(80)37(58)28-35-19-21-36(77)22-20-35/h6-8,13-14,19-22,32-33,37-43,46,77H,5,9-12,15-18,23-31,58H2,1-4H3,(H,68,78)(H,69,80)(H,70,79)(H,71,81)(H,72,83)(H,73,85)(H,74,84)(H,75,82)(H,87,88)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t33-,37-,38-,39-,40-,41-,42-,43+,46-/m0/s1
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0.350n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Opioid receptor kappa 1 on CHO cell membranes using [3H]diprenorphine displacement.


J Med Chem 46: 2104-9 (2003)


Article DOI: 10.1021/jm020125+
BindingDB Entry DOI: 10.7270/Q2NZ88CF
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50057380
PNG
(Analog of Dynorphin A | CHEMBL408360)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(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)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(O)=O
Show InChI InChI=1S/C73H119N21O17/c1-7-43(6)60(69(108)88-50(23-16-32-82-73(79)80)70(109)94-33-17-24-56(94)68(107)87-48(20-11-13-29-74)62(101)90-52(34-41(2)3)64(103)89-51(71(110)111)21-12-14-30-75)93-63(102)49(22-15-31-81-72(77)78)86-67(106)55(38-59(98)99)92-65(104)53(35-42(4)5)91-66(105)54(37-44-18-9-8-10-19-44)85-58(97)40-83-57(96)39-84-61(100)47(76)36-45-25-27-46(95)28-26-45/h8-10,18-19,25-28,41-43,47-56,60,95H,7,11-17,20-24,29-40,74-76H2,1-6H3,(H,83,96)(H,84,100)(H,85,97)(H,86,106)(H,87,107)(H,88,108)(H,89,103)(H,90,101)(H,91,105)(H,92,104)(H,93,102)(H,98,99)(H,110,111)(H4,77,78,81)(H4,79,80,82)/t43-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,60-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor mu 1 by competitive inhibition of radioligand [3H]-DAMGO using cloned receptors transiently expressed on CHO cell...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50128080
PNG
(CHEMBL217379 | DYNORPHIN(1-8)-OH | Tyr-Gly-Gly-Phe...)
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)=O
Show InChI InChI=1S/C46H72N14O10/c1-5-27(4)38(44(69)70)60-41(66)33(14-10-20-53-46(50)51)57-40(65)32(13-9-19-52-45(48)49)58-42(67)34(21-26(2)3)59-43(68)35(23-28-11-7-6-8-12-28)56-37(63)25-54-36(62)24-55-39(64)31(47)22-29-15-17-30(61)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,61H,5,9-10,13-14,19-25,47H2,1-4H3,(H,54,62)(H,55,64)(H,56,63)(H,57,65)(H,58,67)(H,59,68)(H,60,66)(H,69,70)(H4,48,49,52)(H4,50,51,53)/t27-,31-,32-,33-,34-,35-,38-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
OPRD1


(GUINEA PIG)
BDBM50128080
PNG
(CHEMBL217379 | DYNORPHIN(1-8)-OH | Tyr-Gly-Gly-Phe...)
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)=O
Show InChI InChI=1S/C46H72N14O10/c1-5-27(4)38(44(69)70)60-41(66)33(14-10-20-53-46(50)51)57-40(65)32(13-9-19-52-45(48)49)58-42(67)34(21-26(2)3)59-43(68)35(23-28-11-7-6-8-12-28)56-37(63)25-54-36(62)24-55-39(64)31(47)22-29-15-17-30(61)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,61H,5,9-10,13-14,19-25,47H2,1-4H3,(H,54,62)(H,55,64)(H,56,63)(H,57,65)(H,58,67)(H,59,68)(H,60,66)(H,69,70)(H4,48,49,52)(H4,50,51,53)/t27-,31-,32-,33-,34-,35-,38-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50057391
PNG
(Analog of Dynorphin A | CHEMBL412413)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)N[C@@H](CCCNC1=O)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)=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/C72H115N19O16/c1-7-43(6)60-69(104)78-31-16-23-50(70(105)91-33-17-24-56(91)68(103)85-48(20-11-13-29-73)62(97)87-52(34-41(2)3)64(99)86-51(71(106)107)21-12-14-30-74)82-57(93)38-55(67(102)84-49(63(98)90-60)22-15-32-79-72(76)77)89-65(100)53(35-42(4)5)88-66(101)54(37-44-18-9-8-10-19-44)83-59(95)40-80-58(94)39-81-61(96)47(75)36-45-25-27-46(92)28-26-45/h8-10,18-19,25-28,41-43,47-56,60,92H,7,11-17,20-24,29-40,73-75H2,1-6H3,(H,78,104)(H,80,94)(H,81,96)(H,82,93)(H,83,95)(H,84,102)(H,85,103)(H,86,99)(H,87,97)(H,88,101)(H,89,100)(H,90,98)(H,106,107)(H4,76,77,79)/t43-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,60+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor kappa 1 by competitive inhibition of radioligand [3H]-diprenorphine using cloned receptors transiently expressed ...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50128088
PNG
(CHEMBL407832 | Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-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(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C52H84N18O11/c1-5-30(4)42(48(79)68-37(49(80)81)16-11-23-62-52(58)59)70-45(76)36(15-10-22-61-51(56)57)66-44(75)35(14-9-21-60-50(54)55)67-46(77)38(24-29(2)3)69-47(78)39(26-31-12-7-6-8-13-31)65-41(73)28-63-40(72)27-64-43(74)34(53)25-32-17-19-33(71)20-18-32/h6-8,12-13,17-20,29-30,34-39,42,71H,5,9-11,14-16,21-28,53H2,1-4H3,(H,63,72)(H,64,74)(H,65,73)(H,66,75)(H,67,77)(H,68,79)(H,69,78)(H,70,76)(H,80,81)(H4,54,55,60)(H4,56,57,61)(H4,58,59,62)/t30-,34-,35-,36-,37-,38-,39-,42-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Opioid receptor kappa 1 on CHO cell membranes using [3H]diprenorphine displacement.


J Med Chem 46: 2104-9 (2003)


Article DOI: 10.1021/jm020125+
BindingDB Entry DOI: 10.7270/Q2NZ88CF
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50057386
PNG
(Analog of Dynorphin A | CHEMBL263366)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)N[C@@H](CCNC1=O)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)=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/C71H113N19O16/c1-7-42(6)59-68(103)77-31-27-49(69(104)90-32-16-22-55(90)67(102)84-47(19-11-13-28-72)61(96)86-51(33-40(2)3)63(98)85-50(70(105)106)20-12-14-29-73)81-56(92)37-54(66(101)83-48(62(97)89-59)21-15-30-78-71(75)76)88-64(99)52(34-41(4)5)87-65(100)53(36-43-17-9-8-10-18-43)82-58(94)39-79-57(93)38-80-60(95)46(74)35-44-23-25-45(91)26-24-44/h8-10,17-18,23-26,40-42,46-55,59,91H,7,11-16,19-22,27-39,72-74H2,1-6H3,(H,77,103)(H,79,93)(H,80,95)(H,81,92)(H,82,94)(H,83,101)(H,84,102)(H,85,98)(H,86,96)(H,87,100)(H,88,99)(H,89,97)(H,105,106)(H4,75,76,78)/t42-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,59+/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor kappa 1 by competitive inhibition of radioligand [3H]-diprenorphine using cloned receptors transiently expressed ...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50057393
PNG
(Analog of Dynorphin A | CHEMBL264481)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)N[C@@H](CNC1=O)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)=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/C70H111N19O16/c1-7-41(6)58-67(102)78-36-53(68(103)89-30-16-22-54(89)66(101)83-46(19-11-13-27-71)60(95)85-49(31-39(2)3)62(97)84-48(69(104)105)20-12-14-28-72)81-55(91)35-52(65(100)82-47(61(96)88-58)21-15-29-76-70(74)75)87-63(98)50(32-40(4)5)86-64(99)51(34-42-17-9-8-10-18-42)80-57(93)38-77-56(92)37-79-59(94)45(73)33-43-23-25-44(90)26-24-43/h8-10,17-18,23-26,39-41,45-54,58,90H,7,11-16,19-22,27-38,71-73H2,1-6H3,(H,77,92)(H,78,102)(H,79,94)(H,80,93)(H,81,91)(H,82,100)(H,83,101)(H,84,97)(H,85,95)(H,86,99)(H,87,98)(H,88,96)(H,104,105)(H4,74,75,76)/t41-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,58+/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor kappa 1 by competitive inhibition of radioligand [3H]-diprenorphine using cloned receptors transiently expressed ...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50057391
PNG
(Analog of Dynorphin A | CHEMBL412413)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)N[C@@H](CCCNC1=O)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)=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/C72H115N19O16/c1-7-43(6)60-69(104)78-31-16-23-50(70(105)91-33-17-24-56(91)68(103)85-48(20-11-13-29-73)62(97)87-52(34-41(2)3)64(99)86-51(71(106)107)21-12-14-30-74)82-57(93)38-55(67(102)84-49(63(98)90-60)22-15-32-79-72(76)77)89-65(100)53(35-42(4)5)88-66(101)54(37-44-18-9-8-10-19-44)83-59(95)40-80-58(94)39-81-61(96)47(75)36-45-25-27-46(92)28-26-45/h8-10,18-19,25-28,41-43,47-56,60,92H,7,11-17,20-24,29-40,73-75H2,1-6H3,(H,78,104)(H,80,94)(H,81,96)(H,82,93)(H,83,95)(H,84,102)(H,85,103)(H,86,99)(H,87,97)(H,88,101)(H,89,100)(H,90,98)(H,106,107)(H4,76,77,79)/t43-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,60+/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor mu 1 by competitive inhibition of radioligand [3H]-DAMGO using cloned receptors transiently expressed on CHO cell...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50128080
PNG
(CHEMBL217379 | DYNORPHIN(1-8)-OH | Tyr-Gly-Gly-Phe...)
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)=O
Show InChI InChI=1S/C46H72N14O10/c1-5-27(4)38(44(69)70)60-41(66)33(14-10-20-53-46(50)51)57-40(65)32(13-9-19-52-45(48)49)58-42(67)34(21-26(2)3)59-43(68)35(23-28-11-7-6-8-12-28)56-37(63)25-54-36(62)24-55-39(64)31(47)22-29-15-17-30(61)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,61H,5,9-10,13-14,19-25,47H2,1-4H3,(H,54,62)(H,55,64)(H,56,63)(H,57,65)(H,58,67)(H,59,68)(H,60,66)(H,69,70)(H4,48,49,52)(H4,50,51,53)/t27-,31-,32-,33-,34-,35-,38-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50128080
PNG
(CHEMBL217379 | DYNORPHIN(1-8)-OH | Tyr-Gly-Gly-Phe...)
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)=O
Show InChI InChI=1S/C46H72N14O10/c1-5-27(4)38(44(69)70)60-41(66)33(14-10-20-53-46(50)51)57-40(65)32(13-9-19-52-45(48)49)58-42(67)34(21-26(2)3)59-43(68)35(23-28-11-7-6-8-12-28)56-37(63)25-54-36(62)24-55-39(64)31(47)22-29-15-17-30(61)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,61H,5,9-10,13-14,19-25,47H2,1-4H3,(H,54,62)(H,55,64)(H,56,63)(H,57,65)(H,58,67)(H,59,68)(H,60,66)(H,69,70)(H4,48,49,52)(H4,50,51,53)/t27-,31-,32-,33-,34-,35-,38-/m0/s1
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4n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50057393
PNG
(Analog of Dynorphin A | CHEMBL264481)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)N[C@@H](CNC1=O)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)=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/C70H111N19O16/c1-7-41(6)58-67(102)78-36-53(68(103)89-30-16-22-54(89)66(101)83-46(19-11-13-27-71)60(95)85-49(31-39(2)3)62(97)84-48(69(104)105)20-12-14-28-72)81-55(91)35-52(65(100)82-47(61(96)88-58)21-15-29-76-70(74)75)87-63(98)50(32-40(4)5)86-64(99)51(34-42-17-9-8-10-18-42)80-57(93)38-77-56(92)37-79-59(94)45(73)33-43-23-25-44(90)26-24-43/h8-10,17-18,23-26,39-41,45-54,58,90H,7,11-16,19-22,27-38,71-73H2,1-6H3,(H,77,92)(H,78,102)(H,79,94)(H,80,93)(H,81,91)(H,82,100)(H,83,101)(H,84,97)(H,85,95)(H,86,99)(H,87,98)(H,88,96)(H,104,105)(H4,74,75,76)/t41-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,58+/m0/s1
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4.40n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor mu 1 by competitive inhibition of radioligand [3H]-DAMGO using cloned receptors transiently expressed on CHO cell...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50128080
PNG
(CHEMBL217379 | DYNORPHIN(1-8)-OH | Tyr-Gly-Gly-Phe...)
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)=O
Show InChI InChI=1S/C46H72N14O10/c1-5-27(4)38(44(69)70)60-41(66)33(14-10-20-53-46(50)51)57-40(65)32(13-9-19-52-45(48)49)58-42(67)34(21-26(2)3)59-43(68)35(23-28-11-7-6-8-12-28)56-37(63)25-54-36(62)24-55-39(64)31(47)22-29-15-17-30(61)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,61H,5,9-10,13-14,19-25,47H2,1-4H3,(H,54,62)(H,55,64)(H,56,63)(H,57,65)(H,58,67)(H,59,68)(H,60,66)(H,69,70)(H4,48,49,52)(H4,50,51,53)/t27-,31-,32-,33-,34-,35-,38-/m0/s1
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4.60n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Opioid receptor kappa 1 on CHO cell membranes using [3H]diprenorphine displacement.


J Med Chem 46: 2104-9 (2003)


Article DOI: 10.1021/jm020125+
BindingDB Entry DOI: 10.7270/Q2NZ88CF
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50057386
PNG
(Analog of Dynorphin A | CHEMBL263366)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)N[C@@H](CCNC1=O)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)=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/C71H113N19O16/c1-7-42(6)59-68(103)77-31-27-49(69(104)90-32-16-22-55(90)67(102)84-47(19-11-13-28-72)61(96)86-51(33-40(2)3)63(98)85-50(70(105)106)20-12-14-29-73)81-56(92)37-54(66(101)83-48(62(97)89-59)21-15-30-78-71(75)76)88-64(99)52(34-41(4)5)87-65(100)53(36-43-17-9-8-10-18-43)82-58(94)39-79-57(93)38-80-60(95)46(74)35-44-23-25-45(91)26-24-44/h8-10,17-18,23-26,40-42,46-55,59,91H,7,11-16,19-22,27-39,72-74H2,1-6H3,(H,77,103)(H,79,93)(H,80,95)(H,81,92)(H,82,94)(H,83,101)(H,84,102)(H,85,98)(H,86,96)(H,87,100)(H,88,99)(H,89,97)(H,105,106)(H4,75,76,78)/t42-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,59+/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor mu 1 by competitive inhibition of radioligand [3H]-DAMGO using cloned receptors transiently expressed on CHO cell...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50057385
PNG
(Analog of Dynorphin A | CHEMBL406899)
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(O)=O)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(O)=O
Show InChI InChI=1S/C73H120N24O17/c1-5-42(4)59(68(111)92-50(23-15-33-85-73(81)82)69(112)97-34-16-24-55(97)67(110)91-47(19-9-11-29-74)62(105)94-52(35-41(2)3)64(107)93-51(70(113)114)20-10-12-30-75)96-63(106)49(22-14-32-84-72(79)80)89-61(104)48(21-13-31-83-71(77)78)90-66(109)54(38-58(101)102)95-65(108)53(37-43-17-7-6-8-18-43)88-57(100)40-86-56(99)39-87-60(103)46(76)36-44-25-27-45(98)28-26-44/h6-8,17-18,25-28,41-42,46-55,59,98H,5,9-16,19-24,29-40,74-76H2,1-4H3,(H,86,99)(H,87,103)(H,88,100)(H,89,104)(H,90,109)(H,91,110)(H,92,111)(H,93,107)(H,94,105)(H,95,108)(H,96,106)(H,101,102)(H,113,114)(H4,77,78,83)(H4,79,80,84)(H4,81,82,85)/t42-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,59-/m0/s1
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6.10n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor mu 1 by competitive inhibition of radioligand [3H]-DAMGO using cloned receptors transiently expressed on CHO cell...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50128091
PNG
(CHEMBL265813 | Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-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(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(O)=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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8n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro binding affinity to human Opioid receptor mu 1 on CHO cell membranes using [3H]diprenorphine displacement.


J Med Chem 46: 2104-9 (2003)


Article DOI: 10.1021/jm020125+
BindingDB Entry DOI: 10.7270/Q2NZ88CF
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50057387
PNG
(Analog of Dynorphin A | CHEMBL412364)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C70H113N25O16/c1-39(2)32-49(61(104)92-48(67(110)111)17-7-9-27-72)93-60(103)45(16-6-8-26-71)90-65(108)53-21-13-31-95(53)66(109)47(20-12-30-82-70(78)79)91-64(107)52-36-84-58(101)44(18-10-28-80-68(74)75)88-59(102)46(19-11-29-81-69(76)77)89-63(106)51(35-54(97)87-52)94-62(105)50(34-40-14-4-3-5-15-40)86-56(99)38-83-55(98)37-85-57(100)43(73)33-41-22-24-42(96)25-23-41/h3-5,14-15,22-25,39,43-53,96H,6-13,16-21,26-38,71-73H2,1-2H3,(H,83,98)(H,84,101)(H,85,100)(H,86,99)(H,87,97)(H,88,102)(H,89,106)(H,90,108)(H,91,107)(H,92,104)(H,93,103)(H,94,105)(H,110,111)(H4,74,75,80)(H4,76,77,81)(H4,78,79,82)/t43-,44-,45-,46+,47-,48-,49-,50-,51+,52+,53-/m0/s1
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8n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor kappa 1 by competitive inhibition of radioligand [3H]-diprenorphine using cloned receptors transiently expressed ...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50057380
PNG
(Analog of Dynorphin A | CHEMBL408360)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(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)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(O)=O
Show InChI InChI=1S/C73H119N21O17/c1-7-43(6)60(69(108)88-50(23-16-32-82-73(79)80)70(109)94-33-17-24-56(94)68(107)87-48(20-11-13-29-74)62(101)90-52(34-41(2)3)64(103)89-51(71(110)111)21-12-14-30-75)93-63(102)49(22-15-31-81-72(77)78)86-67(106)55(38-59(98)99)92-65(104)53(35-42(4)5)91-66(105)54(37-44-18-9-8-10-19-44)85-58(97)40-83-57(96)39-84-61(100)47(76)36-45-25-27-46(95)28-26-45/h8-10,18-19,25-28,41-43,47-56,60,95H,7,11-17,20-24,29-40,74-76H2,1-6H3,(H,83,96)(H,84,100)(H,85,97)(H,86,106)(H,87,107)(H,88,108)(H,89,103)(H,90,101)(H,91,105)(H,92,104)(H,93,102)(H,98,99)(H,110,111)(H4,77,78,81)(H4,79,80,82)/t43-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,60-/m0/s1
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8n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor kappa 1 by competitive inhibition of radioligand [3H]-diprenorphine using cloned receptors transiently expressed ...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50128091
PNG
(CHEMBL265813 | Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-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(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(O)=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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8.30n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro binding affinity to human Opioid receptor delta 1 on CHO cell membranes using [3H]diprenorphine displacement.


J Med Chem 46: 2104-9 (2003)


Article DOI: 10.1021/jm020125+
BindingDB Entry DOI: 10.7270/Q2NZ88CF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50128080
PNG
(CHEMBL217379 | DYNORPHIN(1-8)-OH | Tyr-Gly-Gly-Phe...)
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)=O
Show InChI InChI=1S/C46H72N14O10/c1-5-27(4)38(44(69)70)60-41(66)33(14-10-20-53-46(50)51)57-40(65)32(13-9-19-52-45(48)49)58-42(67)34(21-26(2)3)59-43(68)35(23-28-11-7-6-8-12-28)56-37(63)25-54-36(62)24-55-39(64)31(47)22-29-15-17-30(61)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,61H,5,9-10,13-14,19-25,47H2,1-4H3,(H,54,62)(H,55,64)(H,56,63)(H,57,65)(H,58,67)(H,59,68)(H,60,66)(H,69,70)(H4,48,49,52)(H4,50,51,53)/t27-,31-,32-,33-,34-,35-,38-/m0/s1
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8.5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro binding affinity to human Opioid receptor delta 1 on CHO cell membranes using [3H]diprenorphine displacement.


J Med Chem 46: 2104-9 (2003)


Article DOI: 10.1021/jm020125+
BindingDB Entry DOI: 10.7270/Q2NZ88CF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50128088
PNG
(CHEMBL407832 | Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-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(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C52H84N18O11/c1-5-30(4)42(48(79)68-37(49(80)81)16-11-23-62-52(58)59)70-45(76)36(15-10-22-61-51(56)57)66-44(75)35(14-9-21-60-50(54)55)67-46(77)38(24-29(2)3)69-47(78)39(26-31-12-7-6-8-13-31)65-41(73)28-63-40(72)27-64-43(74)34(53)25-32-17-19-33(71)20-18-32/h6-8,12-13,17-20,29-30,34-39,42,71H,5,9-11,14-16,21-28,53H2,1-4H3,(H,63,72)(H,64,74)(H,65,73)(H,66,75)(H,67,77)(H,68,79)(H,69,78)(H,70,76)(H,80,81)(H4,54,55,60)(H4,56,57,61)(H4,58,59,62)/t30-,34-,35-,36-,37-,38-,39-,42-/m0/s1
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9.80n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro binding affinity to human Opioid receptor delta 1 on CHO cell membranes using [3H]diprenorphine displacement.


J Med Chem 46: 2104-9 (2003)


Article DOI: 10.1021/jm020125+
BindingDB Entry DOI: 10.7270/Q2NZ88CF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50128074
PNG
(CHEMBL269483 | Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-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(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(O)=O
Show InChI InChI=1S/C57H91N19O12/c1-5-33(4)46(52(85)73-40(17-11-25-67-57(63)64)53(86)76-26-12-18-43(76)54(87)88)75-49(82)39(16-10-24-66-56(61)62)71-48(81)38(15-9-23-65-55(59)60)72-50(83)41(27-32(2)3)74-51(84)42(29-34-13-7-6-8-14-34)70-45(79)31-68-44(78)30-69-47(80)37(58)28-35-19-21-36(77)22-20-35/h6-8,13-14,19-22,32-33,37-43,46,77H,5,9-12,15-18,23-31,58H2,1-4H3,(H,68,78)(H,69,80)(H,70,79)(H,71,81)(H,72,83)(H,73,85)(H,74,84)(H,75,82)(H,87,88)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t33-,37-,38-,39-,40-,41-,42-,43+,46-/m0/s1
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12n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro binding affinity to human Opioid receptor mu 1 on CHO cell membranes using [3H]diprenorphine displacement.


J Med Chem 46: 2104-9 (2003)


Article DOI: 10.1021/jm020125+
BindingDB Entry DOI: 10.7270/Q2NZ88CF
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50057381
PNG
(Analog of Dynorphin A | CHEMBL414921)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C72H117N25O16/c1-41(2)35-52(64(107)94-51(69(112)113)18-7-9-29-74)95-63(106)48(17-6-8-28-73)92-67(110)55-23-14-34-97(55)68(111)50(22-13-33-85-72(80)81)93-61(104)47-20-10-30-82-60(103)46(19-11-31-83-70(76)77)90-62(105)49(21-12-32-84-71(78)79)91-66(109)54(38-56(99)88-47)96-65(108)53(37-42-15-4-3-5-16-42)89-58(101)40-86-57(100)39-87-59(102)45(75)36-43-24-26-44(98)27-25-43/h3-5,15-16,24-27,41,45-55,98H,6-14,17-23,28-40,73-75H2,1-2H3,(H,82,103)(H,86,100)(H,87,102)(H,88,99)(H,89,101)(H,90,105)(H,91,109)(H,92,110)(H,93,104)(H,94,107)(H,95,106)(H,96,108)(H,112,113)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)/t45-,46-,47+,48-,49+,50-,51-,52-,53-,54+,55-/m0/s1
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12n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor kappa 1 by competitive inhibition of radioligand [3H]-diprenorphine using cloned receptors transiently expressed ...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50057382
PNG
(Analog of Dynorphin A | CHEMBL386618)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C71H115N25O16/c1-40(2)34-51(63(106)93-50(68(111)112)17-7-9-28-73)94-61(104)46(16-6-8-27-72)91-66(109)54-21-13-33-96(54)67(110)49(20-12-31-84-71(79)80)92-62(105)48-26-32-81-59(102)45(18-10-29-82-69(75)76)89-60(103)47(19-11-30-83-70(77)78)90-65(108)53(37-55(98)87-48)95-64(107)52(36-41-14-4-3-5-15-41)88-57(100)39-85-56(99)38-86-58(101)44(74)35-42-22-24-43(97)25-23-42/h3-5,14-15,22-25,40,44-54,97H,6-13,16-21,26-39,72-74H2,1-2H3,(H,81,102)(H,85,99)(H,86,101)(H,87,98)(H,88,100)(H,89,103)(H,90,108)(H,91,109)(H,92,105)(H,93,106)(H,94,104)(H,95,107)(H,111,112)(H4,75,76,82)(H4,77,78,83)(H4,79,80,84)/t44-,45-,46-,47+,48+,49-,50-,51-,52-,53+,54-/m0/s1
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14n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor kappa 1 by competitive inhibition of radioligand [3H]-diprenorphine using cloned receptors transiently expressed ...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50057380
PNG
(Analog of Dynorphin A | CHEMBL408360)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(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)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(O)=O
Show InChI InChI=1S/C73H119N21O17/c1-7-43(6)60(69(108)88-50(23-16-32-82-73(79)80)70(109)94-33-17-24-56(94)68(107)87-48(20-11-13-29-74)62(101)90-52(34-41(2)3)64(103)89-51(71(110)111)21-12-14-30-75)93-63(102)49(22-15-31-81-72(77)78)86-67(106)55(38-59(98)99)92-65(104)53(35-42(4)5)91-66(105)54(37-44-18-9-8-10-19-44)85-58(97)40-83-57(96)39-84-61(100)47(76)36-45-25-27-46(95)28-26-45/h8-10,18-19,25-28,41-43,47-56,60,95H,7,11-17,20-24,29-40,74-76H2,1-6H3,(H,83,96)(H,84,100)(H,85,97)(H,86,106)(H,87,107)(H,88,108)(H,89,103)(H,90,101)(H,91,105)(H,92,104)(H,93,102)(H,98,99)(H,110,111)(H4,77,78,81)(H4,79,80,82)/t43-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,60-/m0/s1
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22n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 by competitive inhibition of radioligand [3H]-DPDPE using cloned receptors transiently expressed on CHO c...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50128088
PNG
(CHEMBL407832 | Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-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(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C52H84N18O11/c1-5-30(4)42(48(79)68-37(49(80)81)16-11-23-62-52(58)59)70-45(76)36(15-10-22-61-51(56)57)66-44(75)35(14-9-21-60-50(54)55)67-46(77)38(24-29(2)3)69-47(78)39(26-31-12-7-6-8-13-31)65-41(73)28-63-40(72)27-64-43(74)34(53)25-32-17-19-33(71)20-18-32/h6-8,12-13,17-20,29-30,34-39,42,71H,5,9-11,14-16,21-28,53H2,1-4H3,(H,63,72)(H,64,74)(H,65,73)(H,66,75)(H,67,77)(H,68,79)(H,69,78)(H,70,76)(H,80,81)(H4,54,55,60)(H4,56,57,61)(H4,58,59,62)/t30-,34-,35-,36-,37-,38-,39-,42-/m0/s1
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24n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro binding affinity to human Opioid receptor mu 1 on CHO cell membranes using [3H]diprenorphine displacement.


J Med Chem 46: 2104-9 (2003)


Article DOI: 10.1021/jm020125+
BindingDB Entry DOI: 10.7270/Q2NZ88CF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50128074
PNG
(CHEMBL269483 | Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-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(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(O)=O
Show InChI InChI=1S/C57H91N19O12/c1-5-33(4)46(52(85)73-40(17-11-25-67-57(63)64)53(86)76-26-12-18-43(76)54(87)88)75-49(82)39(16-10-24-66-56(61)62)71-48(81)38(15-9-23-65-55(59)60)72-50(83)41(27-32(2)3)74-51(84)42(29-34-13-7-6-8-14-34)70-45(79)31-68-44(78)30-69-47(80)37(58)28-35-19-21-36(77)22-20-35/h6-8,13-14,19-22,32-33,37-43,46,77H,5,9-12,15-18,23-31,58H2,1-4H3,(H,68,78)(H,69,80)(H,70,79)(H,71,81)(H,72,83)(H,73,85)(H,74,84)(H,75,82)(H,87,88)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t33-,37-,38-,39-,40-,41-,42-,43+,46-/m0/s1
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24n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro binding affinity to human Opioid receptor delta 1 on CHO cell membranes using [3H]diprenorphine displacement.


J Med Chem 46: 2104-9 (2003)


Article DOI: 10.1021/jm020125+
BindingDB Entry DOI: 10.7270/Q2NZ88CF
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens (Human))
BDBM50086639
PNG
((S)-2-{(2S,3S)-2-[(S)-2-{[(S)-1-((S)-2-Amino-5-gua...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C32H52N8O7/c1-5-19(4)26(29(44)38-24(31(46)47)16-18(2)3)39-27(42)23(17-20-10-12-21(41)13-11-20)37-28(43)25-9-7-15-40(25)30(45)22(33)8-6-14-36-32(34)35/h10-13,18-19,22-26,41H,5-9,14-17,33H2,1-4H3,(H,37,43)(H,38,44)(H,39,42)(H,46,47)(H4,34,35,36)/t19-,22-,23-,24-,25-,26-/m0/s1
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28n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Binding ability to compete with [125I]Tyr3-NT (0.15 nM) for human NT receptors cloned in CHO cells.


Bioorg Med Chem Lett 9: 2579-82 (1999)


Article DOI: 10.1016/s0960-894x(99)00420-5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50057391
PNG
(Analog of Dynorphin A | CHEMBL412413)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)N[C@@H](CCCNC1=O)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)=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/C72H115N19O16/c1-7-43(6)60-69(104)78-31-16-23-50(70(105)91-33-17-24-56(91)68(103)85-48(20-11-13-29-73)62(97)87-52(34-41(2)3)64(99)86-51(71(106)107)21-12-14-30-74)82-57(93)38-55(67(102)84-49(63(98)90-60)22-15-32-79-72(76)77)89-65(100)53(35-42(4)5)88-66(101)54(37-44-18-9-8-10-19-44)83-59(95)40-80-58(94)39-81-61(96)47(75)36-45-25-27-46(92)28-26-45/h8-10,18-19,25-28,41-43,47-56,60,92H,7,11-17,20-24,29-40,73-75H2,1-6H3,(H,78,104)(H,80,94)(H,81,96)(H,82,93)(H,83,95)(H,84,102)(H,85,103)(H,86,99)(H,87,97)(H,88,101)(H,89,100)(H,90,98)(H,106,107)(H4,76,77,79)/t43-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,60+/m0/s1
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28n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 by competitive inhibition of radioligand [3H]-DPDPE using cloned receptors transiently expressed on CHO c...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50128080
PNG
(CHEMBL217379 | DYNORPHIN(1-8)-OH | Tyr-Gly-Gly-Phe...)
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)=O
Show InChI InChI=1S/C46H72N14O10/c1-5-27(4)38(44(69)70)60-41(66)33(14-10-20-53-46(50)51)57-40(65)32(13-9-19-52-45(48)49)58-42(67)34(21-26(2)3)59-43(68)35(23-28-11-7-6-8-12-28)56-37(63)25-54-36(62)24-55-39(64)31(47)22-29-15-17-30(61)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,61H,5,9-10,13-14,19-25,47H2,1-4H3,(H,54,62)(H,55,64)(H,56,63)(H,57,65)(H,58,67)(H,59,68)(H,60,66)(H,69,70)(H4,48,49,52)(H4,50,51,53)/t27-,31-,32-,33-,34-,35-,38-/m0/s1
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35n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro binding affinity to human Opioid receptor mu 1 on CHO cell membranes using [3H]diprenorphine displacement.


J Med Chem 46: 2104-9 (2003)


Article DOI: 10.1021/jm020125+
BindingDB Entry DOI: 10.7270/Q2NZ88CF
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50057382
PNG
(Analog of Dynorphin A | CHEMBL386618)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C71H115N25O16/c1-40(2)34-51(63(106)93-50(68(111)112)17-7-9-28-73)94-61(104)46(16-6-8-27-72)91-66(109)54-21-13-33-96(54)67(110)49(20-12-31-84-71(79)80)92-62(105)48-26-32-81-59(102)45(18-10-29-82-69(75)76)89-60(103)47(19-11-30-83-70(77)78)90-65(108)53(37-55(98)87-48)95-64(107)52(36-41-14-4-3-5-15-41)88-57(100)39-85-56(99)38-86-58(101)44(74)35-42-22-24-43(97)25-23-42/h3-5,14-15,22-25,40,44-54,97H,6-13,16-21,26-39,72-74H2,1-2H3,(H,81,102)(H,85,99)(H,86,101)(H,87,98)(H,88,100)(H,89,103)(H,90,108)(H,91,109)(H,92,105)(H,93,106)(H,94,104)(H,95,107)(H,111,112)(H4,75,76,82)(H4,77,78,83)(H4,79,80,84)/t44-,45-,46-,47+,48+,49-,50-,51-,52-,53+,54-/m0/s1
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40n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor mu 1 by competitive inhibition of radioligand [3H]-DAMGO using cloned receptors transiently expressed on CHO cell...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50057393
PNG
(Analog of Dynorphin A | CHEMBL264481)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)N[C@@H](CNC1=O)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)=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/C70H111N19O16/c1-7-41(6)58-67(102)78-36-53(68(103)89-30-16-22-54(89)66(101)83-46(19-11-13-27-71)60(95)85-49(31-39(2)3)62(97)84-48(69(104)105)20-12-14-28-72)81-55(91)35-52(65(100)82-47(61(96)88-58)21-15-29-76-70(74)75)87-63(98)50(32-40(4)5)86-64(99)51(34-42-17-9-8-10-18-42)80-57(93)38-77-56(92)37-79-59(94)45(73)33-43-23-25-44(90)26-24-43/h8-10,17-18,23-26,39-41,45-54,58,90H,7,11-16,19-22,27-38,71-73H2,1-6H3,(H,77,92)(H,78,102)(H,79,94)(H,80,93)(H,81,91)(H,82,100)(H,83,101)(H,84,97)(H,85,95)(H,86,99)(H,87,98)(H,88,96)(H,104,105)(H4,74,75,76)/t41-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,58+/m0/s1
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48n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 by competitive inhibition of radioligand [3H]-DPDPE using cloned receptors transiently expressed on CHO c...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50057385
PNG
(Analog of Dynorphin A | CHEMBL406899)
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(O)=O)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(O)=O
Show InChI InChI=1S/C73H120N24O17/c1-5-42(4)59(68(111)92-50(23-15-33-85-73(81)82)69(112)97-34-16-24-55(97)67(110)91-47(19-9-11-29-74)62(105)94-52(35-41(2)3)64(107)93-51(70(113)114)20-10-12-30-75)96-63(106)49(22-14-32-84-72(79)80)89-61(104)48(21-13-31-83-71(77)78)90-66(109)54(38-58(101)102)95-65(108)53(37-43-17-7-6-8-18-43)88-57(100)40-86-56(99)39-87-60(103)46(76)36-44-25-27-45(98)28-26-44/h6-8,17-18,25-28,41-42,46-55,59,98H,5,9-16,19-24,29-40,74-76H2,1-4H3,(H,86,99)(H,87,103)(H,88,100)(H,89,104)(H,90,109)(H,91,110)(H,92,111)(H,93,107)(H,94,105)(H,95,108)(H,96,106)(H,101,102)(H,113,114)(H4,77,78,83)(H4,79,80,84)(H4,81,82,85)/t42-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,59-/m0/s1
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58n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor kappa 1 by competitive inhibition of radioligand [3H]-diprenorphine using cloned receptors transiently expressed ...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50057381
PNG
(Analog of Dynorphin A | CHEMBL414921)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C72H117N25O16/c1-41(2)35-52(64(107)94-51(69(112)113)18-7-9-29-74)95-63(106)48(17-6-8-28-73)92-67(110)55-23-14-34-97(55)68(111)50(22-13-33-85-72(80)81)93-61(104)47-20-10-30-82-60(103)46(19-11-31-83-70(76)77)90-62(105)49(21-12-32-84-71(78)79)91-66(109)54(38-56(99)88-47)96-65(108)53(37-42-15-4-3-5-16-42)89-58(101)40-86-57(100)39-87-59(102)45(75)36-43-24-26-44(98)27-25-43/h3-5,15-16,24-27,41,45-55,98H,6-14,17-23,28-40,73-75H2,1-2H3,(H,82,103)(H,86,100)(H,87,102)(H,88,99)(H,89,101)(H,90,105)(H,91,109)(H,92,110)(H,93,104)(H,94,107)(H,95,106)(H,96,108)(H,112,113)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)/t45-,46-,47+,48-,49+,50-,51-,52-,53-,54+,55-/m0/s1
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62n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor mu 1 by competitive inhibition of radioligand [3H]-DAMGO using cloned receptors transiently expressed on CHO cell...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50057387
PNG
(Analog of Dynorphin A | CHEMBL412364)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C70H113N25O16/c1-39(2)32-49(61(104)92-48(67(110)111)17-7-9-27-72)93-60(103)45(16-6-8-26-71)90-65(108)53-21-13-31-95(53)66(109)47(20-12-30-82-70(78)79)91-64(107)52-36-84-58(101)44(18-10-28-80-68(74)75)88-59(102)46(19-11-29-81-69(76)77)89-63(106)51(35-54(97)87-52)94-62(105)50(34-40-14-4-3-5-15-40)86-56(99)38-83-55(98)37-85-57(100)43(73)33-41-22-24-42(96)25-23-41/h3-5,14-15,22-25,39,43-53,96H,6-13,16-21,26-38,71-73H2,1-2H3,(H,83,98)(H,84,101)(H,85,100)(H,86,99)(H,87,97)(H,88,102)(H,89,106)(H,90,108)(H,91,107)(H,92,104)(H,93,103)(H,94,105)(H,110,111)(H4,74,75,80)(H4,76,77,81)(H4,78,79,82)/t43-,44-,45-,46+,47-,48-,49-,50-,51+,52+,53-/m0/s1
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75n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor mu 1 by competitive inhibition of radioligand [3H]-DAMGO using cloned receptors transiently expressed on CHO cell...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50057386
PNG
(Analog of Dynorphin A | CHEMBL263366)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)N[C@@H](CCNC1=O)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)=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/C71H113N19O16/c1-7-42(6)59-68(103)77-31-27-49(69(104)90-32-16-22-55(90)67(102)84-47(19-11-13-28-72)61(96)86-51(33-40(2)3)63(98)85-50(70(105)106)20-12-14-29-73)81-56(92)37-54(66(101)83-48(62(97)89-59)21-15-30-78-71(75)76)88-64(99)52(34-41(4)5)87-65(100)53(36-43-17-9-8-10-18-43)82-58(94)39-79-57(93)38-80-60(95)46(74)35-44-23-25-45(91)26-24-44/h8-10,17-18,23-26,40-42,46-55,59,91H,7,11-16,19-22,27-39,72-74H2,1-6H3,(H,77,103)(H,79,93)(H,80,95)(H,81,92)(H,82,94)(H,83,101)(H,84,102)(H,85,98)(H,86,96)(H,87,100)(H,88,99)(H,89,97)(H,105,106)(H4,75,76,78)/t42-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,59+/m0/s1
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180n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 by competitive inhibition of radioligand [3H]-DPDPE using cloned receptors transiently expressed on CHO c...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50057385
PNG
(Analog of Dynorphin A | CHEMBL406899)
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(O)=O)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(O)=O
Show InChI InChI=1S/C73H120N24O17/c1-5-42(4)59(68(111)92-50(23-15-33-85-73(81)82)69(112)97-34-16-24-55(97)67(110)91-47(19-9-11-29-74)62(105)94-52(35-41(2)3)64(107)93-51(70(113)114)20-10-12-30-75)96-63(106)49(22-14-32-84-72(79)80)89-61(104)48(21-13-31-83-71(77)78)90-66(109)54(38-58(101)102)95-65(108)53(37-43-17-7-6-8-18-43)88-57(100)40-86-56(99)39-87-60(103)46(76)36-44-25-27-45(98)28-26-44/h6-8,17-18,25-28,41-42,46-55,59,98H,5,9-16,19-24,29-40,74-76H2,1-4H3,(H,86,99)(H,87,103)(H,88,100)(H,89,104)(H,90,109)(H,91,110)(H,92,111)(H,93,107)(H,94,105)(H,95,108)(H,96,106)(H,101,102)(H,113,114)(H4,77,78,83)(H4,79,80,84)(H4,81,82,85)/t42-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,59-/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 by competitive inhibition of radioligand [3H]-DPDPE using cloned receptors transiently expressed on CHO c...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50057381
PNG
(Analog of Dynorphin A | CHEMBL414921)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C72H117N25O16/c1-41(2)35-52(64(107)94-51(69(112)113)18-7-9-29-74)95-63(106)48(17-6-8-28-73)92-67(110)55-23-14-34-97(55)68(111)50(22-13-33-85-72(80)81)93-61(104)47-20-10-30-82-60(103)46(19-11-31-83-70(76)77)90-62(105)49(21-12-32-84-71(78)79)91-66(109)54(38-56(99)88-47)96-65(108)53(37-42-15-4-3-5-16-42)89-58(101)40-86-57(100)39-87-59(102)45(75)36-43-24-26-44(98)27-25-43/h3-5,15-16,24-27,41,45-55,98H,6-14,17-23,28-40,73-75H2,1-2H3,(H,82,103)(H,86,100)(H,87,102)(H,88,99)(H,89,101)(H,90,105)(H,91,109)(H,92,110)(H,93,104)(H,94,107)(H,95,106)(H,96,108)(H,112,113)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)/t45-,46-,47+,48-,49+,50-,51-,52-,53-,54+,55-/m0/s1
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1.90E+3n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 by competitive inhibition of radioligand [3H]-DPDPE using cloned receptors transiently expressed on CHO c...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50057387
PNG
(Analog of Dynorphin A | CHEMBL412364)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C70H113N25O16/c1-39(2)32-49(61(104)92-48(67(110)111)17-7-9-27-72)93-60(103)45(16-6-8-26-71)90-65(108)53-21-13-31-95(53)66(109)47(20-12-30-82-70(78)79)91-64(107)52-36-84-58(101)44(18-10-28-80-68(74)75)88-59(102)46(19-11-29-81-69(76)77)89-63(106)51(35-54(97)87-52)94-62(105)50(34-40-14-4-3-5-15-40)86-56(99)38-83-55(98)37-85-57(100)43(73)33-41-22-24-42(96)25-23-41/h3-5,14-15,22-25,39,43-53,96H,6-13,16-21,26-38,71-73H2,1-2H3,(H,83,98)(H,84,101)(H,85,100)(H,86,99)(H,87,97)(H,88,102)(H,89,106)(H,90,108)(H,91,107)(H,92,104)(H,93,103)(H,94,105)(H,110,111)(H4,74,75,80)(H4,76,77,81)(H4,78,79,82)/t43-,44-,45-,46+,47-,48-,49-,50-,51+,52+,53-/m0/s1
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3.30E+3n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 by competitive inhibition of radioligand [3H]-DPDPE using cloned receptors transiently expressed on CHO c...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50057382
PNG
(Analog of Dynorphin A | CHEMBL386618)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C71H115N25O16/c1-40(2)34-51(63(106)93-50(68(111)112)17-7-9-28-73)94-61(104)46(16-6-8-27-72)91-66(109)54-21-13-33-96(54)67(110)49(20-12-31-84-71(79)80)92-62(105)48-26-32-81-59(102)45(18-10-29-82-69(75)76)89-60(103)47(19-11-30-83-70(77)78)90-65(108)53(37-55(98)87-48)95-64(107)52(36-41-14-4-3-5-15-41)88-57(100)39-85-56(99)38-86-58(101)44(74)35-42-22-24-43(97)25-23-42/h3-5,14-15,22-25,40,44-54,97H,6-13,16-21,26-39,72-74H2,1-2H3,(H,81,102)(H,85,99)(H,86,101)(H,87,98)(H,88,100)(H,89,103)(H,90,108)(H,91,109)(H,92,105)(H,93,106)(H,94,104)(H,95,107)(H,111,112)(H4,75,76,82)(H4,77,78,83)(H4,79,80,84)/t44-,45-,46-,47+,48+,49-,50-,51-,52-,53+,54-/m0/s1
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4.10E+3n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 by competitive inhibition of radioligand [3H]-DPDPE using cloned receptors transiently expressed on CHO c...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens (Human))
BDBM50133192
PNG
(CHEMBL439494 | Compound NT)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O
Show InChI InChI=1S/C69H108N20O18/c1-5-38(4)56(67(106)107)87-62(101)49(34-40-19-23-42(91)24-20-40)86-64(103)52-16-11-31-89(52)66(105)46(14-9-29-78-69(75)76)82-59(98)44(13-8-28-77-68(73)74)81-63(102)51-15-10-30-88(51)65(104)45(12-6-7-27-70)83-61(100)50(35-53(72)92)80-54(93)36-79-58(97)48(33-39-17-21-41(90)22-18-39)85-60(99)47(32-37(2)3)84-57(96)43(71)25-26-55(94)95/h17-24,37-38,43-52,56,90-91H,5-16,25-36,70-71H2,1-4H3,(H2,72,92)(H,79,97)(H,80,93)(H,81,102)(H,82,98)(H,83,100)(H,84,96)(H,85,99)(H,86,103)(H,87,101)(H,94,95)(H,106,107)(H4,73,74,77)(H4,75,76,78)/t38-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,56-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 2


J Med Chem 46: 4141-8 (2003)


Article DOI: 10.1021/jm0300633
BindingDB Entry DOI: 10.7270/Q26M37KB
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50133192
PNG
(CHEMBL439494 | Compound NT)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O
Show InChI InChI=1S/C69H108N20O18/c1-5-38(4)56(67(106)107)87-62(101)49(34-40-19-23-42(91)24-20-40)86-64(103)52-16-11-31-89(52)66(105)46(14-9-29-78-69(75)76)82-59(98)44(13-8-28-77-68(73)74)81-63(102)51-15-10-30-88(51)65(104)45(12-6-7-27-70)83-61(100)50(35-53(72)92)80-54(93)36-79-58(97)48(33-39-17-21-41(90)22-18-39)85-60(99)47(32-37(2)3)84-57(96)43(71)25-26-55(94)95/h17-24,37-38,43-52,56,90-91H,5-16,25-36,70-71H2,1-4H3,(H2,72,92)(H,79,97)(H,80,93)(H,81,102)(H,82,98)(H,83,100)(H,84,96)(H,85,99)(H,86,103)(H,87,101)(H,94,95)(H,106,107)(H4,73,74,77)(H4,75,76,78)/t38-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,56-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Evaluated for binding affinity by inhibiting binding of [125I]-Tyr(3)-NT to human Neurotensin receptor 1


J Med Chem 46: 4141-8 (2003)


Article DOI: 10.1021/jm0300633
BindingDB Entry DOI: 10.7270/Q26M37KB
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50133192
PNG
(CHEMBL439494 | Compound NT)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O
Show InChI InChI=1S/C69H108N20O18/c1-5-38(4)56(67(106)107)87-62(101)49(34-40-19-23-42(91)24-20-40)86-64(103)52-16-11-31-89(52)66(105)46(14-9-29-78-69(75)76)82-59(98)44(13-8-28-77-68(73)74)81-63(102)51-15-10-30-88(51)65(104)45(12-6-7-27-70)83-61(100)50(35-53(72)92)80-54(93)36-79-58(97)48(33-39-17-21-41(90)22-18-39)85-60(99)47(32-37(2)3)84-57(96)43(71)25-26-55(94)95/h17-24,37-38,43-52,56,90-91H,5-16,25-36,70-71H2,1-4H3,(H2,72,92)(H,79,97)(H,80,93)(H,81,102)(H,82,98)(H,83,100)(H,84,96)(H,85,99)(H,86,103)(H,87,101)(H,94,95)(H,106,107)(H4,73,74,77)(H4,75,76,78)/t38-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,56-/m0/s1
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n/an/a 440n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 3


J Med Chem 46: 4141-8 (2003)


Article DOI: 10.1021/jm0300633
BindingDB Entry DOI: 10.7270/Q26M37KB
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50130890
PNG
(CHEMBL413192 | DTPA-DLys-Pro-Arg-hAla(PipAm)-Arg-P...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC1CCN(CC1)C(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C67H110N18O19/c1-40(2)33-48(64(103)104)78-61(100)56(67(3,4)5)79-58(97)47(34-42-15-18-43(86)19-16-42)77-60(99)50-14-10-26-85(50)63(102)46(12-8-24-73-65(69)70)76-57(96)44(20-17-41-21-27-83(28-22-41)66(71)72)75-59(98)49-13-9-25-84(49)62(101)45(11-6-7-23-68)74-51(87)35-81(37-53(90)91)31-29-80(36-52(88)89)30-32-82(38-54(92)93)39-55(94)95/h15-16,18-19,40-41,44-50,56,86H,6-14,17,20-39,68H2,1-5H3,(H3,71,72)(H,74,87)(H,75,98)(H,76,96)(H,77,99)(H,78,100)(H,79,97)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H,103,104)(H4,69,70,73)/t44-,45+,46-,47-,48-,49-,50-,56+/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards neurotensin receptor in membranes prepared from HT-29 cell line, relative to [111In]-labeled neurotensin peptide


J Med Chem 46: 3403-11 (2003)


Article DOI: 10.1021/jm030081k
BindingDB Entry DOI: 10.7270/Q2222VHR
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50086639
PNG
((S)-2-{(2S,3S)-2-[(S)-2-{[(S)-1-((S)-2-Amino-5-gua...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C32H52N8O7/c1-5-19(4)26(29(44)38-24(31(46)47)16-18(2)3)39-27(42)23(17-20-10-12-21(41)13-11-20)37-28(43)25-9-7-15-40(25)30(45)22(33)8-6-14-36-32(34)35/h10-13,18-19,22-26,41H,5-9,14-17,33H2,1-4H3,(H,37,43)(H,38,44)(H,39,42)(H,46,47)(H4,34,35,36)/t19-,22-,23-,24-,25-,26-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity against human neurotensin receptor (hNTR)-1 expressed in CHO cells


Bioorg Med Chem Lett 10: 453-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00018-4
BindingDB Entry DOI: 10.7270/Q2X929H9
More data for this
Ligand-Target Pair