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Compile Data Set for Download or QSAR

Found 228 hits with Last Name = 'grandy' and Initial = 'dk'   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.125n/an/an/an/an/an/an/an/a



Oregon Health Sciences University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 86: 9762-6 (1989)


Article DOI: 10.1073/pnas.86.24.9762
BindingDB Entry DOI: 10.7270/Q2W66J87
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
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0.310n/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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.350n/an/an/an/an/an/an/an/a



Oregon Health Sciences University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 86: 9762-6 (1989)


Article DOI: 10.1073/pnas.86.24.9762
BindingDB Entry DOI: 10.7270/Q2W66J87
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.560n/an/an/an/an/an/an/an/a



Oregon Health Sciences University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 86: 9762-6 (1989)


Article DOI: 10.1073/pnas.86.24.9762
BindingDB Entry DOI: 10.7270/Q2W66J87
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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0.920n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50008735
PNG
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1
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0.940n/an/an/an/an/an/an/an/a



Oregon Health Sciences University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 86: 9762-6 (1989)


Article DOI: 10.1073/pnas.86.24.9762
BindingDB Entry DOI: 10.7270/Q2W66J87
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50008735
PNG
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Oregon Health Sciences University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 86: 9762-6 (1989)


Article DOI: 10.1073/pnas.86.24.9762
BindingDB Entry DOI: 10.7270/Q2W66J87
More data for this
Ligand-Target Pair
Mu-type 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
Kappa-type 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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50057389
PNG
(Analog of Dynorphin A | CHEMBL408024)
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)NC[C@@H](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/C70H113N19O17/c1-7-41(6)58(67(103)79-36-46(74)68(104)89-30-16-22-54(89)66(102)83-47(19-11-13-27-71)60(96)85-50(31-39(2)3)62(98)84-49(69(105)106)20-12-14-28-72)88-61(97)48(21-15-29-77-70(75)76)82-65(101)53(35-57(93)94)87-63(99)51(32-40(4)5)86-64(100)52(34-42-17-9-8-10-18-42)81-56(92)38-78-55(91)37-80-59(95)45(73)33-43-23-25-44(90)26-24-43/h8-10,17-18,23-26,39-41,45-54,58,90H,7,11-16,19-22,27-38,71-74H2,1-6H3,(H,78,91)(H,79,103)(H,80,95)(H,81,92)(H,82,101)(H,83,102)(H,84,98)(H,85,96)(H,86,100)(H,87,99)(H,88,97)(H,93,94)(H,105,106)(H4,75,76,77)/t41-,45-,46+,47-,48-,49-,50-,51-,52-,53-,54-,58-/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 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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50008735
PNG
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Oregon Health Sciences University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 86: 9762-6 (1989)


Article DOI: 10.1073/pnas.86.24.9762
BindingDB Entry DOI: 10.7270/Q2W66J87
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2.40n/an/an/an/an/an/an/an/a



Oregon Health Sciences University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 86: 9762-6 (1989)


Article DOI: 10.1073/pnas.86.24.9762
BindingDB Entry DOI: 10.7270/Q2W66J87
More data for this
Ligand-Target Pair
Kappa-type 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
Kappa-type 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-type 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
Mu-type 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
Mu-type 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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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5.10n/an/an/an/an/an/an/an/a



Oregon Health Sciences University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 86: 9762-6 (1989)


Article DOI: 10.1073/pnas.86.24.9762
BindingDB Entry DOI: 10.7270/Q2W66J87
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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5.80n/an/an/an/an/an/an/an/a



Oregon Health Sciences University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 86: 9762-6 (1989)


Article DOI: 10.1073/pnas.86.24.9762
BindingDB Entry DOI: 10.7270/Q2W66J87
More data for this
Ligand-Target Pair
Mu-type 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
Kappa-type 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
Kappa-type 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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50057389
PNG
(Analog of Dynorphin A | CHEMBL408024)
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)NC[C@@H](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/C70H113N19O17/c1-7-41(6)58(67(103)79-36-46(74)68(104)89-30-16-22-54(89)66(102)83-47(19-11-13-27-71)60(96)85-50(31-39(2)3)62(98)84-49(69(105)106)20-12-14-28-72)88-61(97)48(21-15-29-77-70(75)76)82-65(101)53(35-57(93)94)87-63(99)51(32-40(4)5)86-64(100)52(34-42-17-9-8-10-18-42)81-56(92)38-78-55(91)37-80-59(95)45(73)33-43-23-25-44(90)26-24-43/h8-10,17-18,23-26,39-41,45-54,58,90H,7,11-16,19-22,27-38,71-74H2,1-6H3,(H,78,91)(H,79,103)(H,80,95)(H,81,92)(H,82,101)(H,83,102)(H,84,98)(H,85,96)(H,86,100)(H,87,99)(H,88,97)(H,93,94)(H,105,106)(H4,75,76,77)/t41-,45-,46+,47-,48-,49-,50-,51-,52-,53-,54-,58-/m0/s1
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8.20n/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


(GUINEA PIG)
BDBM50057379
PNG
(Analog of Dynorphin A | CHEMBL407076)
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](N)CNC(=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](CCCCN)C(O)=O
Show InChI InChI=1S/C70H115N25O17/c1-39(2)32-50(62(106)92-49(67(111)112)17-7-9-27-72)93-61(105)46(16-6-8-26-71)90-65(109)53-21-13-31-95(53)66(110)48(20-12-30-83-70(79)80)91-58(102)44(74)36-85-59(103)45(18-10-28-81-68(75)76)88-60(104)47(19-11-29-82-69(77)78)89-64(108)52(35-56(99)100)94-63(107)51(34-40-14-4-3-5-15-40)87-55(98)38-84-54(97)37-86-57(101)43(73)33-41-22-24-42(96)25-23-41/h3-5,14-15,22-25,39,43-53,96H,6-13,16-21,26-38,71-74H2,1-2H3,(H,84,97)(H,85,103)(H,86,101)(H,87,98)(H,88,104)(H,89,108)(H,90,109)(H,91,102)(H,92,106)(H,93,105)(H,94,107)(H,99,100)(H,111,112)(H4,75,76,81)(H4,77,78,82)(H4,79,80,83)/t43-,44+,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
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8.30n/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


(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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50057389
PNG
(Analog of Dynorphin A | CHEMBL408024)
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)NC[C@@H](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/C70H113N19O17/c1-7-41(6)58(67(103)79-36-46(74)68(104)89-30-16-22-54(89)66(102)83-47(19-11-13-27-71)60(96)85-50(31-39(2)3)62(98)84-49(69(105)106)20-12-14-28-72)88-61(97)48(21-15-29-77-70(75)76)82-65(101)53(35-57(93)94)87-63(99)51(32-40(4)5)86-64(100)52(34-42-17-9-8-10-18-42)81-56(92)38-78-55(91)37-80-59(95)45(73)33-43-23-25-44(90)26-24-43/h8-10,17-18,23-26,39-41,45-54,58,90H,7,11-16,19-22,27-38,71-74H2,1-6H3,(H,78,91)(H,79,103)(H,80,95)(H,81,92)(H,82,101)(H,83,102)(H,84,98)(H,85,96)(H,86,100)(H,87,99)(H,88,97)(H,93,94)(H,105,106)(H4,75,76,77)/t41-,45-,46+,47-,48-,49-,50-,51-,52-,53-,54-,58-/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
Kappa-type 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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50057379
PNG
(Analog of Dynorphin A | CHEMBL407076)
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](N)CNC(=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](CCCCN)C(O)=O
Show InChI InChI=1S/C70H115N25O17/c1-39(2)32-50(62(106)92-49(67(111)112)17-7-9-27-72)93-61(105)46(16-6-8-26-71)90-65(109)53-21-13-31-95(53)66(110)48(20-12-30-83-70(79)80)91-58(102)44(74)36-85-59(103)45(18-10-28-81-68(75)76)88-60(104)47(19-11-29-82-69(77)78)89-64(108)52(35-56(99)100)94-63(107)51(34-40-14-4-3-5-15-40)87-55(98)38-84-54(97)37-86-57(101)43(73)33-41-22-24-42(96)25-23-41/h3-5,14-15,22-25,39,43-53,96H,6-13,16-21,26-38,71-74H2,1-2H3,(H,84,97)(H,85,103)(H,86,101)(H,87,98)(H,88,104)(H,89,108)(H,90,109)(H,91,102)(H,92,106)(H,93,105)(H,94,107)(H,99,100)(H,111,112)(H4,75,76,81)(H4,77,78,82)(H4,79,80,83)/t43-,44+,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
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20n/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
Delta-type opioid receptor


(Homo sapiens (Human))
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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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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50057383
PNG
(Analog of Dynorphin A | CHEMBL2370861)
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@H](-[#6]-[#6](-[#8])=O)-[#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/C77H128N24O17/c1-7-45(6)62(72(115)95-53(25-17-35-89-77(85)86)73(116)101-36-18-26-59(101)71(114)94-50(21-11-13-31-78)65(108)97-56(38-44(4)5)68(111)96-54(74(117)118)22-12-14-32-79)100-66(109)52(24-16-34-88-76(83)84)92-64(107)51(23-15-33-87-75(81)82)93-67(110)55(37-43(2)3)98-69(112)57(40-46-19-9-8-10-20-46)99-70(113)58(41-61(104)105)91-60(103)42-90-63(106)49(80)39-47-27-29-48(102)30-28-47/h8-10,19-20,27-30,43-45,49-59,62,102H,7,11-18,21-26,31-42,78-80H2,1-6H3,(H,90,106)(H,91,103)(H,92,107)(H,93,110)(H,94,114)(H,95,115)(H,96,111)(H,97,108)(H,98,112)(H,99,113)(H,100,109)(H,104,105)(H,117,118)(H4,81,82,87)(H4,83,84,88)(H4,85,86,89)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-/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 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))
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


(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
Kappa-type 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-type 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-type 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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50057392
PNG
(Analog of Dynorphin A | CHEMBL2370887)
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]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#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/C75H123N21O17/c1-8-44(6)61(71(110)90-52(24-17-33-84-75(81)82)72(111)96-34-18-25-58(96)70(109)89-50(21-12-14-30-76)65(104)93-55(36-43(4)5)67(106)91-53(73(112)113)22-13-15-31-77)95-66(105)51(23-16-32-83-74(79)80)88-62(101)45(7)40-85-64(103)54(35-42(2)3)92-68(107)56(38-46-19-10-9-11-20-46)94-69(108)57(39-60(99)100)87-59(98)41-86-63(102)49(78)37-47-26-28-48(97)29-27-47/h9-11,19-20,26-29,42-45,49-58,61,97H,8,12-18,21-25,30-41,76-78H2,1-7H3,(H,85,103)(H,86,102)(H,87,98)(H,88,101)(H,89,109)(H,90,110)(H,91,106)(H,92,107)(H,93,104)(H,94,108)(H,95,105)(H,99,100)(H,112,113)(H4,79,80,83)(H4,81,82,84)/t44-,45+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
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100n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity of compound was measured on Opioid receptor mu 1 by competitive inhibition of radioligand [3H]-DAMGO using cloned receptors transien...


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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM11638
PNG
(CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
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160n/an/an/an/an/an/an/an/a



Oregon Health Sciences University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 86: 9762-6 (1989)


Article DOI: 10.1073/pnas.86.24.9762
BindingDB Entry DOI: 10.7270/Q2W66J87
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50057383
PNG
(Analog of Dynorphin A | CHEMBL2370861)
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@H](-[#6]-[#6](-[#8])=O)-[#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/C77H128N24O17/c1-7-45(6)62(72(115)95-53(25-17-35-89-77(85)86)73(116)101-36-18-26-59(101)71(114)94-50(21-11-13-31-78)65(108)97-56(38-44(4)5)68(111)96-54(74(117)118)22-12-14-32-79)100-66(109)52(24-16-34-88-76(83)84)92-64(107)51(23-15-33-87-75(81)82)93-67(110)55(37-43(2)3)98-69(112)57(40-46-19-9-8-10-20-46)99-70(113)58(41-61(104)105)91-60(103)42-90-63(106)49(80)39-47-27-29-48(102)30-28-47/h8-10,19-20,27-30,43-45,49-59,62,102H,7,11-18,21-26,31-42,78-80H2,1-6H3,(H,90,106)(H,91,103)(H,92,107)(H,93,110)(H,94,114)(H,95,115)(H,96,111)(H,97,108)(H,98,112)(H,99,113)(H,100,109)(H,104,105)(H,117,118)(H4,81,82,87)(H4,83,84,88)(H4,85,86,89)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-/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 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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50057390
PNG
(Analog of Dynorphin A | CHEMBL2370832)
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]-1-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](=O)-[#7]-1)-[#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/C76H124N22O16/c1-7-45(6)62(72(111)92-53(25-17-35-86-76(82)83)73(112)98-36-18-26-59(98)71(110)91-51(21-11-13-31-77)66(105)95-56(38-44(4)5)68(107)93-54(74(113)114)22-12-14-32-78)97-67(106)52(24-16-34-85-75(80)81)90-65(104)50-23-15-33-84-64(103)55(37-43(2)3)94-69(108)57(40-46-19-9-8-10-20-46)96-70(109)58(41-60(100)88-50)89-61(101)42-87-63(102)49(79)39-47-27-29-48(99)30-28-47/h8-10,19-20,27-30,43-45,49-59,62,99H,7,11-18,21-26,31-42,77-79H2,1-6H3,(H,84,103)(H,87,102)(H,88,100)(H,89,101)(H,90,104)(H,91,110)(H,92,111)(H,93,107)(H,94,108)(H,95,105)(H,96,109)(H,97,106)(H,113,114)(H4,80,81,85)(H4,82,83,86)/t45-,49+,50+,51-,52-,53-,54-,55-,56-,57+,58-,59-,62-/m0/s1
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200n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity of compound was measured on Opioid receptor kappa 1 by competitive inhibition of radioligand [3H]-diprenorphine using cloned recepto...


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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM11638
PNG
(CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
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205n/an/an/an/an/an/an/an/a



Oregon Health Sciences University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 86: 9762-6 (1989)


Article DOI: 10.1073/pnas.86.24.9762
BindingDB Entry DOI: 10.7270/Q2W66J87
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM11638
PNG
(CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
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206n/an/an/an/an/an/an/an/a



Oregon Health Sciences University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 86: 9762-6 (1989)


Article DOI: 10.1073/pnas.86.24.9762
BindingDB Entry DOI: 10.7270/Q2W66J87
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50057384
PNG
(Analog of Dynorphin A | CHEMBL2370831)
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]-1-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](=O)-[#7]-1)-[#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/C75H122N22O16/c1-7-44(6)61(71(110)91-52(23-16-33-85-75(81)82)72(111)97-35-17-24-58(97)70(109)90-49(20-11-13-30-76)64(103)94-55(37-43(4)5)67(106)92-53(73(112)113)21-12-14-31-77)96-66(105)50(22-15-32-84-74(79)80)89-65(104)51-29-34-83-63(102)54(36-42(2)3)93-68(107)56(39-45-18-9-8-10-19-45)95-69(108)57(40-59(99)87-51)88-60(100)41-86-62(101)48(78)38-46-25-27-47(98)28-26-46/h8-10,18-19,25-28,42-44,48-58,61,98H,7,11-17,20-24,29-41,76-78H2,1-6H3,(H,83,102)(H,86,101)(H,87,99)(H,88,100)(H,89,104)(H,90,109)(H,91,110)(H,92,106)(H,93,107)(H,94,103)(H,95,108)(H,96,105)(H,112,113)(H4,79,80,84)(H4,81,82,85)/t44-,48-,49-,50-,51+,52-,53-,54-,55-,56+,57-,58-,61-/m0/s1
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210n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity of compound was measured on Opioid receptor mu 1 by competitive inhibition of radioligand [3H]-DAMGO using cloned receptors transien...


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


(Cavia porcellus (domestic guinea pig))
BDBM50057384
PNG
(Analog of Dynorphin A | CHEMBL2370831)
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]-1-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](=O)-[#7]-1)-[#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/C75H122N22O16/c1-7-44(6)61(71(110)91-52(23-16-33-85-75(81)82)72(111)97-35-17-24-58(97)70(109)90-49(20-11-13-30-76)64(103)94-55(37-43(4)5)67(106)92-53(73(112)113)21-12-14-31-77)96-66(105)50(22-15-32-84-74(79)80)89-65(104)51-29-34-83-63(102)54(36-42(2)3)93-68(107)56(39-45-18-9-8-10-19-45)95-69(108)57(40-59(99)87-51)88-60(100)41-86-62(101)48(78)38-46-25-27-47(98)28-26-46/h8-10,18-19,25-28,42-44,48-58,61,98H,7,11-17,20-24,29-41,76-78H2,1-6H3,(H,83,102)(H,86,101)(H,87,99)(H,88,100)(H,89,104)(H,90,109)(H,91,110)(H,92,106)(H,93,107)(H,94,103)(H,95,108)(H,96,105)(H,112,113)(H4,79,80,84)(H4,81,82,85)/t44-,48-,49-,50-,51+,52-,53-,54-,55-,56+,57-,58-,61-/m0/s1
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270n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity of compound was measured on Opioid receptor kappa 1 by competitive inhibition of radioligand [3H]-diprenorphine using cloned recepto...


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


(Cavia porcellus (domestic guinea pig))
BDBM50057392
PNG
(Analog of Dynorphin A | CHEMBL2370887)
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]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#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/C75H123N21O17/c1-8-44(6)61(71(110)90-52(24-17-33-84-75(81)82)72(111)96-34-18-25-58(96)70(109)89-50(21-12-14-30-76)65(104)93-55(36-43(4)5)67(106)91-53(73(112)113)22-13-15-31-77)95-66(105)51(23-16-32-83-74(79)80)88-62(101)45(7)40-85-64(103)54(35-42(2)3)92-68(107)56(38-46-19-10-9-11-20-46)94-69(108)57(39-60(99)100)87-59(98)41-86-63(102)49(78)37-47-26-28-48(97)29-27-47/h9-11,19-20,26-29,42-45,49-58,61,97H,8,12-18,21-25,30-41,76-78H2,1-7H3,(H,85,103)(H,86,102)(H,87,98)(H,88,101)(H,89,109)(H,90,110)(H,91,106)(H,92,107)(H,93,104)(H,94,108)(H,95,105)(H,99,100)(H,112,113)(H4,79,80,83)(H4,81,82,84)/t44-,45+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
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300n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity of compound was measured on Opioid receptor kappa 1 by competitive inhibition of radioligand [3H]-diprenorphine using cloned recepto...


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


(GUINEA PIG)
BDBM50057390
PNG
(Analog of Dynorphin A | CHEMBL2370832)
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]-1-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](=O)-[#7]-1)-[#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/C76H124N22O16/c1-7-45(6)62(72(111)92-53(25-17-35-86-76(82)83)73(112)98-36-18-26-59(98)71(110)91-51(21-11-13-31-77)66(105)95-56(38-44(4)5)68(107)93-54(74(113)114)22-12-14-32-78)97-67(106)52(24-16-34-85-75(80)81)90-65(104)50-23-15-33-84-64(103)55(37-43(2)3)94-69(108)57(40-46-19-9-8-10-20-46)96-70(109)58(41-60(100)88-50)89-61(101)42-87-63(102)49(79)39-47-27-29-48(99)30-28-47/h8-10,19-20,27-30,43-45,49-59,62,99H,7,11-18,21-26,31-42,77-79H2,1-6H3,(H,84,103)(H,87,102)(H,88,100)(H,89,101)(H,90,104)(H,91,110)(H,92,111)(H,93,107)(H,94,108)(H,95,105)(H,96,109)(H,97,106)(H,113,114)(H4,80,81,85)(H4,82,83,86)/t45-,49+,50+,51-,52-,53-,54-,55-,56-,57+,58-,59-,62-/m0/s1
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320n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity of compound was measured on Opioid receptor mu 1 by competitive inhibition of radioligand [3H]-DAMGO using cloned receptors transien...


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))
BDBM50057390
PNG
(Analog of Dynorphin A | CHEMBL2370832)
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]-1-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](=O)-[#7]-1)-[#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/C76H124N22O16/c1-7-45(6)62(72(111)92-53(25-17-35-86-76(82)83)73(112)98-36-18-26-59(98)71(110)91-51(21-11-13-31-77)66(105)95-56(38-44(4)5)68(107)93-54(74(113)114)22-12-14-32-78)97-67(106)52(24-16-34-85-75(80)81)90-65(104)50-23-15-33-84-64(103)55(37-43(2)3)94-69(108)57(40-46-19-9-8-10-20-46)96-70(109)58(41-60(100)88-50)89-61(101)42-87-63(102)49(79)39-47-27-29-48(99)30-28-47/h8-10,19-20,27-30,43-45,49-59,62,99H,7,11-18,21-26,31-42,77-79H2,1-6H3,(H,84,103)(H,87,102)(H,88,100)(H,89,101)(H,90,104)(H,91,110)(H,92,111)(H,93,107)(H,94,108)(H,95,105)(H,96,109)(H,97,106)(H,113,114)(H4,80,81,85)(H4,82,83,86)/t45-,49+,50+,51-,52-,53-,54-,55-,56-,57+,58-,59-,62-/m0/s1
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320n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity of compound was measured on Opioid receptor delta 1 by competitive inhibition of radioligand [3H]-DPDPE using cloned receptors trans...


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))
BDBM50057383
PNG
(Analog of Dynorphin A | CHEMBL2370861)
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@H](-[#6]-[#6](-[#8])=O)-[#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/C77H128N24O17/c1-7-45(6)62(72(115)95-53(25-17-35-89-77(85)86)73(116)101-36-18-26-59(101)71(114)94-50(21-11-13-31-78)65(108)97-56(38-44(4)5)68(111)96-54(74(117)118)22-12-14-32-79)100-66(109)52(24-16-34-88-76(83)84)92-64(107)51(23-15-33-87-75(81)82)93-67(110)55(37-43(2)3)98-69(112)57(40-46-19-9-8-10-20-46)99-70(113)58(41-61(104)105)91-60(103)42-90-63(106)49(80)39-47-27-29-48(102)30-28-47/h8-10,19-20,27-30,43-45,49-59,62,102H,7,11-18,21-26,31-42,78-80H2,1-6H3,(H,90,106)(H,91,103)(H,92,107)(H,93,110)(H,94,114)(H,95,115)(H,96,111)(H,97,108)(H,98,112)(H,99,113)(H,100,109)(H,104,105)(H,117,118)(H4,81,82,87)(H4,83,84,88)(H4,85,86,89)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-/m0/s1
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430n/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
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