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Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'schlechtingen' and Initial = 'g'   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50090002
PNG
(CHEMBL411003 | Dynorphin A (1-11)-NH2H-Tyr-Gly-Gly...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41-,42-,43-,44-,45-,46-,47-,48+,51-/m0/s1
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0.0590n/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))
BDBM50090002
PNG
(CHEMBL411003 | Dynorphin A (1-11)-NH2H-Tyr-Gly-Gly...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41-,42-,43-,44-,45-,46-,47-,48+,51-/m0/s1
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0.0740n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Opioid receptor kappa 1 in CHO cell membranes.


J Med Chem 43: 2698-702 (2000)


Article DOI: 10.1021/jm990442p
BindingDB Entry DOI: 10.7270/Q25D8SJ1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50090003
PNG
(CHEMBL405190 | Tyr-Gly-[D-Ala]-Phe-Leu-Arg-Arg-Ile...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C64H106N22O12/c1-6-37(4)51(60(97)82-46(21-14-30-76-64(72)73)61(98)86-31-15-22-49(86)59(96)79-43(52(67)89)18-10-11-27-65)85-56(93)45(20-13-29-75-63(70)71)80-55(92)44(19-12-28-74-62(68)69)81-57(94)47(32-36(2)3)84-58(95)48(34-39-16-8-7-9-17-39)83-53(90)38(5)78-50(88)35-77-54(91)42(66)33-40-23-25-41(87)26-24-40/h7-9,16-17,23-26,36-38,42-49,51,87H,6,10-15,18-22,27-35,65-66H2,1-5H3,(H2,67,89)(H,77,91)(H,78,88)(H,79,96)(H,80,92)(H,81,94)(H,82,97)(H,83,90)(H,84,95)(H,85,93)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t37-,38+,42-,43-,44-,45-,46-,47-,48-,49+,51-/m0/s1
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0.150n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Human Opioid receptor kappa 1 mediated stimulation of [35S]- GTPgammaS binding in CHO cells (Agonist potency).


J Med Chem 43: 2698-702 (2000)


Article DOI: 10.1021/jm990442p
BindingDB Entry DOI: 10.7270/Q25D8SJ1
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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0.360n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Human Opioid receptor kappa 1 mediated stimulation of [35S]- GTPgammaS binding in CHO cells (Agonist potency).


J Med Chem 43: 2698-702 (2000)


Article DOI: 10.1021/jm990442p
BindingDB Entry DOI: 10.7270/Q25D8SJ1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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0.370n/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))
BDBM50128078
PNG
(CHEMBL2369408 | Tyr-Gly-Pro-Phe-Leu-Arg-Arg-Arg-Ar...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C66H109N25O12/c1-38(2)34-48(88-59(100)49(36-39-14-4-3-5-15-39)89-60(101)50-21-12-32-90(50)52(93)37-82-54(95)42(68)35-40-23-25-41(92)26-24-40)58(99)86-45(18-9-29-79-64(72)73)56(97)84-44(17-8-28-78-63(70)71)55(96)85-46(19-10-30-80-65(74)75)57(98)87-47(20-11-31-81-66(76)77)62(103)91-33-13-22-51(91)61(102)83-43(53(69)94)16-6-7-27-67/h3-5,14-15,23-26,38,42-51,92H,6-13,16-22,27-37,67-68H2,1-2H3,(H2,69,94)(H,82,95)(H,83,102)(H,84,97)(H,85,96)(H,86,99)(H,87,98)(H,88,100)(H,89,101)(H4,70,71,78)(H4,72,73,79)(H4,74,75,80)(H4,76,77,81)/t42-,43-,44-,45-,46-,47-,48-,49-,50?,51+/m0/s1
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0.440n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50128075
PNG
(CHEMBL218452 | ENKEPHALIN | Enkephalin | Leu-enkep...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C67H113N25O12/c1-5-39(4)53(63(104)88-47(21-13-31-81-66(75)76)58(99)85-45(19-11-29-79-64(71)72)56(97)84-44(54(70)95)18-9-10-28-68)91-59(100)48(22-14-32-82-67(77)78)86-57(98)46(20-12-30-80-65(73)74)87-60(101)49(34-38(2)3)89-61(102)50(36-40-16-7-6-8-17-40)90-62(103)51-23-15-33-92(51)52(94)37-83-55(96)43(69)35-41-24-26-42(93)27-25-41/h6-8,16-17,24-27,38-39,43-51,53,93H,5,9-15,18-23,28-37,68-69H2,1-4H3,(H2,70,95)(H,83,96)(H,84,97)(H,85,99)(H,86,98)(H,87,101)(H,88,104)(H,89,102)(H,90,103)(H,91,100)(H4,71,72,79)(H4,73,74,80)(H4,75,76,81)(H4,77,78,82)/t39-,43-,44-,45+,46-,47-,48-,49-,50-,51?,53-/m0/s1
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0.700n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50128085
PNG
(CHEMBL2369366 | Tyr-Gly-Pro-Phe-Leu-Arg-Arg-Ile-Ar...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C66H108N22O12/c1-5-39(4)53(62(99)83-47(21-13-31-78-66(74)75)63(100)88-33-15-23-51(88)61(98)80-44(54(69)91)18-9-10-28-67)86-57(94)46(20-12-30-77-65(72)73)81-56(93)45(19-11-29-76-64(70)71)82-58(95)48(34-38(2)3)84-59(96)49(36-40-16-7-6-8-17-40)85-60(97)50-22-14-32-87(50)52(90)37-79-55(92)43(68)35-41-24-26-42(89)27-25-41/h6-8,16-17,24-27,38-39,43-51,53,89H,5,9-15,18-23,28-37,67-68H2,1-4H3,(H2,69,91)(H,79,92)(H,80,98)(H,81,93)(H,82,95)(H,83,99)(H,84,96)(H,85,97)(H,86,94)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t39-,43-,44-,45-,46-,47-,48-,49-,50?,51+,53-/m0/s1
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1.20n/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))
BDBM50027029
PNG
(CHEMBL413729)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C66H108N22O12/c1-5-39(4)53(62(99)83-47(21-13-31-78-66(74)75)63(100)88-33-15-23-51(88)61(98)80-44(54(69)91)18-9-10-28-67)86-57(94)46(20-12-30-77-65(72)73)81-56(93)45(19-11-29-76-64(70)71)82-58(95)48(34-38(2)3)84-59(96)49(36-40-16-7-6-8-17-40)85-60(97)50-22-14-32-87(50)52(90)37-79-55(92)43(68)35-41-24-26-42(89)27-25-41/h6-8,16-17,24-27,38-39,43-51,53,89H,5,9-15,18-23,28-37,67-68H2,1-4H3,(H2,69,91)(H,79,92)(H,80,98)(H,81,93)(H,82,95)(H,83,99)(H,84,96)(H,85,97)(H,86,94)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t39-,43-,44-,45-,46-,47-,48-,49-,50-,51+,53-/m0/s1
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2.40n/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))
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50090006
PNG
(CHEMBL407389 | [Pro3] Dynorphin A (1-11)-NH2H-Tyr-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C66H108N22O12/c1-5-39(4)53(62(99)83-47(21-13-31-78-66(74)75)63(100)88-33-15-23-51(88)61(98)80-44(54(69)91)18-9-10-28-67)86-57(94)46(20-12-30-77-65(72)73)81-56(93)45(19-11-29-76-64(70)71)82-58(95)48(34-38(2)3)84-59(96)49(36-40-16-7-6-8-17-40)85-60(97)50-22-14-32-87(50)52(90)37-79-55(92)43(68)35-41-24-26-42(89)27-25-41/h6-8,16-17,24-27,38-39,43-51,53,89H,5,9-15,18-23,28-37,67-68H2,1-4H3,(H2,69,91)(H,79,92)(H,80,98)(H,81,93)(H,82,95)(H,83,99)(H,84,96)(H,85,97)(H,86,94)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t39-,43-,44-,45-,46-,47-,48-,49-,50+,51+,53-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Human Opioid receptor kappa 1 mediated stimulation of [35S]- GTPgammaS binding in CHO cells (Agonist potency).


J Med Chem 43: 2698-702 (2000)


Article DOI: 10.1021/jm990442p
BindingDB Entry DOI: 10.7270/Q25D8SJ1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50090002
PNG
(CHEMBL411003 | Dynorphin A (1-11)-NH2H-Tyr-Gly-Gly...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41-,42-,43-,44-,45-,46-,47-,48+,51-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Opioid receptor delta 1 in CHO cell membranes.


J Med Chem 43: 2698-702 (2000)


Article DOI: 10.1021/jm990442p
BindingDB Entry DOI: 10.7270/Q25D8SJ1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50090002
PNG
(CHEMBL411003 | Dynorphin A (1-11)-NH2H-Tyr-Gly-Gly...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41-,42-,43-,44-,45-,46-,47-,48+,51-/m0/s1
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3.20n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50128073
PNG
(CHEMBL2369365 | Tyr-Gly-Pro-Phe-Leu-Arg-Arg-Ile-Ar...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C61H101N23O11/c1-5-35(4)48(57(95)80-42(18-11-27-74-60(68)69)51(89)77-40(49(63)87)16-9-25-72-58(64)65)83-53(91)43(19-12-28-75-61(70)71)78-52(90)41(17-10-26-73-59(66)67)79-54(92)44(30-34(2)3)81-55(93)45(32-36-14-7-6-8-15-36)82-56(94)46-20-13-29-84(46)47(86)33-76-50(88)39(62)31-37-21-23-38(85)24-22-37/h6-8,14-15,21-24,34-35,39-46,48,85H,5,9-13,16-20,25-33,62H2,1-4H3,(H2,63,87)(H,76,88)(H,77,89)(H,78,90)(H,79,92)(H,80,95)(H,81,93)(H,82,94)(H,83,91)(H4,64,65,72)(H4,66,67,73)(H4,68,69,74)(H4,70,71,75)/t35-,39-,40+,41-,42-,43-,44-,45-,46?,48-/m0/s1
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3.40n/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-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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3.60n/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
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50128077
PNG
(CHEMBL293465 | Tyr-Gly-Gly-Phe-Leu-Arg-Arg-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C40H61N13O9/c1-23(2)18-30(36(59)51-28(10-6-16-46-39(42)43)35(58)52-29(38(61)62)11-7-17-47-40(44)45)53-37(60)31(20-24-8-4-3-5-9-24)50-33(56)22-48-32(55)21-49-34(57)27(41)19-25-12-14-26(54)15-13-25/h3-5,8-9,12-15,23,27-31,54H,6-7,10-11,16-22,41H2,1-2H3,(H,48,55)(H,49,57)(H,50,56)(H,51,59)(H,52,58)(H,53,60)(H,61,62)(H4,42,43,46)(H4,44,45,47)/t27-,28-,29-,30-,31-/m0/s1
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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-type opioid receptor


(Homo sapiens (Human))
BDBM50090002
PNG
(CHEMBL411003 | Dynorphin A (1-11)-NH2H-Tyr-Gly-Gly...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41-,42-,43-,44-,45-,46-,47-,48+,51-/m0/s1
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5.60n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50128089
PNG
(CHEMBL2369370 | Tyr-Gly-Pro-Phe-Leu-Arg-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C37H54N10O7/c1-22(2)18-28(34(52)44-27(32(39)50)10-6-16-42-37(40)41)45-35(53)29(20-23-8-4-3-5-9-23)46-36(54)30-11-7-17-47(30)31(49)21-43-33(51)26(38)19-24-12-14-25(48)15-13-24/h3-5,8-9,12-15,22,26-30,48H,6-7,10-11,16-21,38H2,1-2H3,(H2,39,50)(H,43,51)(H,44,52)(H,45,53)(H,46,54)(H4,40,41,42)/t26-,27-,28-,29-,30?/m0/s1
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6.60n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50090006
PNG
(CHEMBL407389 | [Pro3] Dynorphin A (1-11)-NH2H-Tyr-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C66H108N22O12/c1-5-39(4)53(62(99)83-47(21-13-31-78-66(74)75)63(100)88-33-15-23-51(88)61(98)80-44(54(69)91)18-9-10-28-67)86-57(94)46(20-12-30-77-65(72)73)81-56(93)45(19-11-29-76-64(70)71)82-58(95)48(34-38(2)3)84-59(96)49(36-40-16-7-6-8-17-40)85-60(97)50-22-14-32-87(50)52(90)37-79-55(92)43(68)35-41-24-26-42(89)27-25-41/h6-8,16-17,24-27,38-39,43-51,53,89H,5,9-15,18-23,28-37,67-68H2,1-4H3,(H2,69,91)(H,79,92)(H,80,98)(H,81,93)(H,82,95)(H,83,99)(H,84,96)(H,85,97)(H,86,94)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t39-,43-,44-,45-,46-,47-,48-,49-,50+,51+,53-/m0/s1
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7.5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor kappa 1 by to cloned human opioid receptors expressed in CHO cell membranes


J Med Chem 43: 2698-702 (2000)


Article DOI: 10.1021/jm990442p
BindingDB Entry DOI: 10.7270/Q25D8SJ1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50090002
PNG
(CHEMBL411003 | Dynorphin A (1-11)-NH2H-Tyr-Gly-Gly...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41-,42-,43-,44-,45-,46-,47-,48+,51-/m0/s1
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7.60n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Opioid receptor mu 1 in CHO cell membranes.


J Med Chem 43: 2698-702 (2000)


Article DOI: 10.1021/jm990442p
BindingDB Entry DOI: 10.7270/Q25D8SJ1
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
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))
BDBM50128084
PNG
(CHEMBL63188 | Tyr-Gly-Gly-Phe-Leu-Arg-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C34H49N9O8/c1-20(2)15-26(31(48)42-25(33(50)51)9-6-14-38-34(36)37)43-32(49)27(17-21-7-4-3-5-8-21)41-29(46)19-39-28(45)18-40-30(47)24(35)16-22-10-12-23(44)13-11-22/h3-5,7-8,10-13,20,24-27,44H,6,9,14-19,35H2,1-2H3,(H,39,45)(H,40,47)(H,41,46)(H,42,48)(H,43,49)(H,50,51)(H4,36,37,38)/t24-,25-,26-,27-/m0/s1
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9.10n/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))
BDBM50128077
PNG
(CHEMBL293465 | Tyr-Gly-Gly-Phe-Leu-Arg-Arg-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C40H61N13O9/c1-23(2)18-30(36(59)51-28(10-6-16-46-39(42)43)35(58)52-29(38(61)62)11-7-17-47-40(44)45)53-37(60)31(20-24-8-4-3-5-9-24)50-33(56)22-48-32(55)21-49-34(57)27(41)19-25-12-14-26(54)15-13-25/h3-5,8-9,12-15,23,27-31,54H,6-7,10-11,16-22,41H2,1-2H3,(H,48,55)(H,49,57)(H,50,56)(H,51,59)(H,52,58)(H,53,60)(H,61,62)(H4,42,43,46)(H4,44,45,47)/t27-,28-,29-,30-,31-/m0/s1
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9.70n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50128083
PNG
(CHEMBL2369389 | Tyr-Gly-Pro-Phe-Leu-Arg-Arg-Ile-Ar...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(N)=O
Show InChI InChI=1S/C55H89N19O10/c1-5-32(4)44(52(84)68-37(45(57)77)15-9-23-64-53(58)59)73-48(80)39(17-11-25-66-55(62)63)69-47(79)38(16-10-24-65-54(60)61)70-49(81)40(27-31(2)3)71-50(82)41(29-33-13-7-6-8-14-33)72-51(83)42-18-12-26-74(42)43(76)30-67-46(78)36(56)28-34-19-21-35(75)22-20-34/h6-8,13-14,19-22,31-32,36-42,44,75H,5,9-12,15-18,23-30,56H2,1-4H3,(H2,57,77)(H,67,78)(H,68,84)(H,69,79)(H,70,81)(H,71,82)(H,72,83)(H,73,80)(H4,58,59,64)(H4,60,61,65)(H4,62,63,66)/t32-,36-,37-,38-,39-,40-,41-,42?,44-/m0/s1
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10n/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))
BDBM50128081
PNG
(CHEMBL2369390 | Tyr-Gly-Pro-Phe-Leu-Arg-Arg-Ile-NH...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C49H77N15O9/c1-5-29(4)40(41(51)67)63-44(70)35(15-10-22-57-49(54)55)59-43(69)34(14-9-21-56-48(52)53)60-45(71)36(24-28(2)3)61-46(72)37(26-30-12-7-6-8-13-30)62-47(73)38-16-11-23-64(38)39(66)27-58-42(68)33(50)25-31-17-19-32(65)20-18-31/h6-8,12-13,17-20,28-29,33-38,40,65H,5,9-11,14-16,21-27,50H2,1-4H3,(H2,51,67)(H,58,68)(H,59,69)(H,60,71)(H,61,72)(H,62,73)(H,63,70)(H4,52,53,56)(H4,54,55,57)/t29-,33-,34-,35-,36-,37-,38?,40-/m0/s1
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11n/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))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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11n/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-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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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19n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Opioid receptor delta 1 in CHO cell membranes.


J Med Chem 43: 2698-702 (2000)


Article DOI: 10.1021/jm990442p
BindingDB Entry DOI: 10.7270/Q25D8SJ1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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20n/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))
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
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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37n/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))
BDBM50128077
PNG
(CHEMBL293465 | Tyr-Gly-Gly-Phe-Leu-Arg-Arg-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C40H61N13O9/c1-23(2)18-30(36(59)51-28(10-6-16-46-39(42)43)35(58)52-29(38(61)62)11-7-17-47-40(44)45)53-37(60)31(20-24-8-4-3-5-9-24)50-33(56)22-48-32(55)21-49-34(57)27(41)19-25-12-14-26(54)15-13-25/h3-5,8-9,12-15,23,27-31,54H,6-7,10-11,16-22,41H2,1-2H3,(H,48,55)(H,49,57)(H,50,56)(H,51,59)(H,52,58)(H,53,60)(H,61,62)(H4,42,43,46)(H4,44,45,47)/t27-,28-,29-,30-,31-/m0/s1
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38n/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-type opioid receptor


(Homo sapiens (Human))
BDBM50128084
PNG
(CHEMBL63188 | Tyr-Gly-Gly-Phe-Leu-Arg-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C34H49N9O8/c1-20(2)15-26(31(48)42-25(33(50)51)9-6-14-38-34(36)37)43-32(49)27(17-21-7-4-3-5-8-21)41-29(46)19-39-28(45)18-40-30(47)24(35)16-22-10-12-23(44)13-11-22/h3-5,7-8,10-13,20,24-27,44H,6,9,14-19,35H2,1-2H3,(H,39,45)(H,40,47)(H,41,46)(H,42,48)(H,43,49)(H,50,51)(H4,36,37,38)/t24-,25-,26-,27-/m0/s1
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41n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50128079
PNG
(CHEMBL2369393 | Tyr-Gly-Pro-Phe-Leu-Arg-Arg-Ile-Ar...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C66H107N21O13/c1-5-39(4)53(61(97)81-46(21-13-31-77-66(73)74)62(98)87-33-15-23-51(87)60(96)82-47(63(99)100)18-9-10-28-67)85-56(92)45(20-12-30-76-65(71)72)79-55(91)44(19-11-29-75-64(69)70)80-57(93)48(34-38(2)3)83-58(94)49(36-40-16-7-6-8-17-40)84-59(95)50-22-14-32-86(50)52(89)37-78-54(90)43(68)35-41-24-26-42(88)27-25-41/h6-8,16-17,24-27,38-39,43-51,53,88H,5,9-15,18-23,28-37,67-68H2,1-4H3,(H,78,90)(H,79,91)(H,80,93)(H,81,97)(H,82,96)(H,83,94)(H,84,95)(H,85,92)(H,99,100)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t39-,43-,44-,45-,46-,47-,48-,49-,50?,51+,53-/m0/s1
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42n/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-type opioid receptor


(Homo sapiens (Human))
BDBM50128075
PNG
(CHEMBL218452 | ENKEPHALIN | Enkephalin | Leu-enkep...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C67H113N25O12/c1-5-39(4)53(63(104)88-47(21-13-31-81-66(75)76)58(99)85-45(19-11-29-79-64(71)72)56(97)84-44(54(70)95)18-9-10-28-68)91-59(100)48(22-14-32-82-67(77)78)86-57(98)46(20-12-30-80-65(73)74)87-60(101)49(34-38(2)3)89-61(102)50(36-40-16-7-6-8-17-40)90-62(103)51-23-15-33-92(51)52(94)37-83-55(96)43(69)35-41-24-26-42(93)27-25-41/h6-8,16-17,24-27,38-39,43-51,53,93H,5,9-15,18-23,28-37,68-69H2,1-4H3,(H2,70,95)(H,83,96)(H,84,97)(H,85,99)(H,86,98)(H,87,101)(H,88,104)(H,89,102)(H,90,103)(H,91,100)(H4,71,72,79)(H4,73,74,80)(H4,75,76,81)(H4,77,78,82)/t39-,43-,44-,45+,46-,47-,48-,49-,50-,51?,53-/m0/s1
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55n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50369573
PNG
(CHEMBL1790761)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C67H112N22O12/c1-7-39(5)53(87-52(91)37-80-56(93)44(69)35-42-25-27-43(90)28-26-42)62(99)86-50(36-41-18-10-9-11-19-41)60(97)85-49(34-38(3)4)59(96)83-46(21-14-30-77-65(71)72)57(94)82-47(22-15-31-78-66(73)74)58(95)88-54(40(6)8-2)63(100)84-48(23-16-32-79-67(75)76)64(101)89-33-17-24-51(89)61(98)81-45(55(70)92)20-12-13-29-68/h9-11,18-19,25-28,38-40,44-51,53-54,90H,7-8,12-17,20-24,29-37,68-69H2,1-6H3,(H2,70,92)(H,80,93)(H,81,98)(H,82,94)(H,83,96)(H,84,100)(H,85,97)(H,86,99)(H,87,91)(H,88,95)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t39-,40+,44+,45+,46+,47+,48+,49+,50+,51-,53-,54+/m1/s1
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55n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of Opioid receptor kappa 1 to cloned human opioid receptor in CHO cell membrane.


J Med Chem 43: 2698-702 (2000)


Article DOI: 10.1021/jm990442p
BindingDB Entry DOI: 10.7270/Q25D8SJ1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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56n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Opioid receptor mu 1 in CHO cell membranes.


J Med Chem 43: 2698-702 (2000)


Article DOI: 10.1021/jm990442p
BindingDB Entry DOI: 10.7270/Q25D8SJ1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50128086
PNG
(CHEMBL2369391 | Tyr-Gly-Pro-Phe-Leu-Arg-Arg-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C43H66N14O8/c1-25(2)21-32(39(63)54-31(12-7-19-51-43(48)49)38(62)53-30(36(45)60)11-6-18-50-42(46)47)55-40(64)33(23-26-9-4-3-5-10-26)56-41(65)34-13-8-20-57(34)35(59)24-52-37(61)29(44)22-27-14-16-28(58)17-15-27/h3-5,9-10,14-17,25,29-34,58H,6-8,11-13,18-24,44H2,1-2H3,(H2,45,60)(H,52,61)(H,53,62)(H,54,63)(H,55,64)(H,56,65)(H4,46,47,50)(H4,48,49,51)/t29-,30-,31-,32-,33-,34?/m0/s1
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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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50090004
PNG
(CHEMBL269377 | [D-Pro2] Dynorphin A (1-11)-NH2H-Ty...)
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)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C66H108N22O12/c1-5-39(4)53(61(98)84-47(21-13-31-78-66(74)75)63(100)88-33-15-23-51(88)60(97)81-44(54(69)91)18-9-10-28-67)86-56(93)46(20-12-30-77-65(72)73)82-55(92)45(19-11-29-76-64(70)71)83-57(94)48(34-38(2)3)85-58(95)49(36-40-16-7-6-8-17-40)80-52(90)37-79-59(96)50-22-14-32-87(50)62(99)43(68)35-41-24-26-42(89)27-25-41/h6-8,16-17,24-27,38-39,43-51,53,89H,5,9-15,18-23,28-37,67-68H2,1-4H3,(H2,69,91)(H,79,96)(H,80,90)(H,81,97)(H,82,92)(H,83,94)(H,84,98)(H,85,95)(H,86,93)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t39-,43-,44-,45-,46-,47-,48-,49-,50-,51+,53-/m0/s1
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65n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Human Opioid receptor kappa 1 mediated stimulation of [35S]- GTPgammaS binding in CHO cells (Agonist potency).


J Med Chem 43: 2698-702 (2000)


Article DOI: 10.1021/jm990442p
BindingDB Entry DOI: 10.7270/Q25D8SJ1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50090003
PNG
(CHEMBL405190 | Tyr-Gly-[D-Ala]-Phe-Leu-Arg-Arg-Ile...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C64H106N22O12/c1-6-37(4)51(60(97)82-46(21-14-30-76-64(72)73)61(98)86-31-15-22-49(86)59(96)79-43(52(67)89)18-10-11-27-65)85-56(93)45(20-13-29-75-63(70)71)80-55(92)44(19-12-28-74-62(68)69)81-57(94)47(32-36(2)3)84-58(95)48(34-39-16-8-7-9-17-39)83-53(90)38(5)78-50(88)35-77-54(91)42(66)33-40-23-25-41(87)26-24-40/h7-9,16-17,23-26,36-38,42-49,51,87H,6,10-15,18-22,27-35,65-66H2,1-5H3,(H2,67,89)(H,77,91)(H,78,88)(H,79,96)(H,80,92)(H,81,94)(H,82,97)(H,83,90)(H,84,95)(H,85,93)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t37-,38+,42-,43-,44-,45-,46-,47-,48-,49+,51-/m0/s1
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67n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Opioid receptor mu 1 in CHO cell membranes.


J Med Chem 43: 2698-702 (2000)


Article DOI: 10.1021/jm990442p
BindingDB Entry DOI: 10.7270/Q25D8SJ1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50128087
PNG
(CHEMBL2369395 | Tyr-Gly-Pro-Phe-Leu-Arg-Arg-Ile-Ar...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C60H96N20O11/c1-5-35(4)48(56(90)75-42(18-11-27-71-60(67)68)57(91)80-29-12-19-45(80)49(62)83)78-52(86)41(17-10-26-70-59(65)66)73-51(85)40(16-9-25-69-58(63)64)74-53(87)43(30-34(2)3)76-54(88)44(32-36-14-7-6-8-15-36)77-55(89)46-20-13-28-79(46)47(82)33-72-50(84)39(61)31-37-21-23-38(81)24-22-37/h6-8,14-15,21-24,34-35,39-46,48,81H,5,9-13,16-20,25-33,61H2,1-4H3,(H2,62,83)(H,72,84)(H,73,85)(H,74,87)(H,75,90)(H,76,88)(H,77,89)(H,78,86)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t35-,39-,40-,41-,42-,43-,44-,45+,46?,48-/m0/s1
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79n/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-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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79n/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
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