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143 similar compounds to monomer 50057381

Compile data set for download or QSAR
Wt: 1809.0
BDBM50004178
Purchase
Wt: 746.8
BDBM82078
Wt: 1228.4
BDBM82083
Wt: 1320.5
BDBM85779
Wt: 1320.5
BDBM85782
Wt: 1362.6
BDBM50019482
Wt: 1452.7
BDBM50002345
Wt: 1362.6
BDBM50002346
Wt: 1416.7
BDBM50002347
Wt: 1442.7
BDBM50002349
Wt: 1402.6
BDBM50002350
Wt: 981.1
BDBM50027808
Wt: 850.0
BDBM50033670
Wt: 1206.4
BDBM50034121
Wt: 850.0
BDBM50033675
Displayed 1 to 15 (of 143 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 97 hits for monomerid = 50004178,82078,82083,85779,85782,50019482,50002345,50002346,50002347,50002349,50002350,50027808,50033670,50034121,50033675   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002347
PNG
(CHEMBL425806 | [N-cyclopropyl methylTyr1, D-pro10]...)
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](Cc1ccc(O)cc1)NCC1CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C67H109N21O13/c1-5-40(4)55(62(98)84-47(20-13-31-77-67(73)74)63(99)88-32-14-21-52(88)61(97)85-48(64(100)101)17-9-10-28-68)87-58(94)46(19-12-30-76-66(71)72)82-57(93)45(18-11-29-75-65(69)70)83-59(95)50(33-39(2)3)86-60(96)51(35-41-15-7-6-8-16-41)81-54(91)38-79-53(90)37-80-56(92)49(78-36-43-22-23-43)34-42-24-26-44(89)27-25-42/h6-8,15-16,24-27,39-40,43,45-52,55,78,89H,5,9-14,17-23,28-38,68H2,1-4H3,(H,79,90)(H,80,92)(H,81,91)(H,82,93)(H,83,95)(H,84,98)(H,85,97)(H,86,96)(H,87,94)(H,100,101)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t40-,45-,46-,47-,48-,49-,50-,51-,52+,55-/m0/s1
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0.0200n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on binding of [3H]bremazocine to opioid receptor kappa in guinea pig cerebellum membranes


J Med Chem 35: 4638-9 (1993)


Article DOI: 10.1021/jm00102a019
BindingDB Entry DOI: 10.7270/Q2416XPM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002345
PNG
(CHEMBL407529 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Arg-ll...)
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](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C70H109N21O13/c1-5-43(4)58(65(101)87-50(25-16-34-80-70(76)77)66(102)91-35-17-26-55(91)64(100)88-51(67(103)104)22-12-13-31-71)90-61(97)49(24-15-33-79-69(74)75)85-60(96)48(23-14-32-78-68(72)73)86-62(98)53(36-42(2)3)89-63(99)54(38-44-18-8-6-9-19-44)84-57(94)41-82-56(93)40-83-59(95)52(37-45-27-29-47(92)30-28-45)81-39-46-20-10-7-11-21-46/h6-11,18-21,27-30,42-43,48-55,58,81,92H,5,12-17,22-26,31-41,71H2,1-4H3,(H,82,93)(H,83,95)(H,84,94)(H,85,96)(H,86,98)(H,87,101)(H,88,100)(H,89,99)(H,90,97)(H,103,104)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t43-,48-,49-,50-,51-,52-,53-,54-,55+,58-/m0/s1
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0.0290n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on binding of [3H]bremazocine to opioid receptor kappa in guinea pig cerebellum membranes


J Med Chem 35: 4638-9 (1993)


Article DOI: 10.1021/jm00102a019
BindingDB Entry DOI: 10.7270/Q2416XPM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002346
PNG
(CHEMBL384584 | [D-pro10]Dynorphin A(1-11))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48+,51-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on binding of [3H]bremazocine to opioid receptor kappa in guinea pig cerebellum membranes


J Med Chem 35: 4638-9 (1993)


Article DOI: 10.1021/jm00102a019
BindingDB Entry DOI: 10.7270/Q2416XPM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002346
PNG
(CHEMBL384584 | [D-pro10]Dynorphin A(1-11))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48+,51-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Affinity against Opioid receptor kappa 1 was determined by measuring the inhibition of [3H]-bremazocine binding to guinea pig cerebellar membranes


J Med Chem 40: 2733-9 (1997)


Article DOI: 10.1021/jm960747t
BindingDB Entry DOI: 10.7270/Q2D50M2D
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002350
PNG
(CHEMBL265387 | [N-allylTyr1, D-pro10]Dynorphin A(1...)
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](Cc1ccc(O)cc1)NCC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C66H107N21O13/c1-6-29-74-48(35-42-24-26-43(88)27-25-42)55(91)79-37-52(89)78-38-53(90)80-50(36-41-17-9-8-10-18-41)59(95)85-49(34-39(3)4)58(94)82-44(20-13-30-75-64(68)69)56(92)81-45(21-14-31-76-65(70)71)57(93)86-54(40(5)7-2)61(97)83-46(22-15-32-77-66(72)73)62(98)87-33-16-23-51(87)60(96)84-47(63(99)100)19-11-12-28-67/h6,8-10,17-18,24-27,39-40,44-51,54,74,88H,1,7,11-16,19-23,28-38,67H2,2-5H3,(H,78,89)(H,79,91)(H,80,90)(H,81,92)(H,82,94)(H,83,97)(H,84,96)(H,85,95)(H,86,93)(H,99,100)(H4,68,69,75)(H4,70,71,76)(H4,72,73,77)/t40-,44-,45-,46-,47-,48-,49-,50-,51+,54-/m0/s1
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0.0490n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on binding of [3H]bremazocine to opioid receptor kappa in guinea pig cerebellum membranes


J Med Chem 35: 4638-9 (1993)


Article DOI: 10.1021/jm00102a019
BindingDB Entry DOI: 10.7270/Q2416XPM
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004178
PNG
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
BindingDB Entry DOI: 10.7270/Q2NS0V9T
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004178
PNG
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor like type, human Opioid receptor like 1 expressed in membrane homogenates of COS-1 or CHO cells


J Med Chem 45: 5353-7 (2002)


Article DOI: 10.1021/jm020078l
BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004178
PNG
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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0.120n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human nociceptin opioid receptor transfected in CHO cell membranes


Bioorg Med Chem 22: 2508-16 (2014)


Article DOI: 10.1016/j.bmc.2014.02.047
BindingDB Entry DOI: 10.7270/Q2VH5QC2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019482
PNG
(DYNORPHIN A (1-11) | NH2-Tyr-Gly-Gly-D-Trp-Leu-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)=O
Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
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0.128n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]-bremazocine binding to Opioid receptor kappa 1 in guinea pig cerebellum membrane homogenates.


J Med Chem 29: 1913-7 (1986)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004178
PNG
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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0.180n/an/an/an/an/an/an/an/a



Purdue Pharma LP

Curated by ChEMBL


Assay Description
Inhibition of [3H]nociceptin binding to human Opioid receptor like 1


Bioorg Med Chem Lett 14: 5045-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.001
BindingDB Entry DOI: 10.7270/Q2TM7BV8
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004178
PNG
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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0.214n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 57: 3418-29 (2014)


Article DOI: 10.1021/jm500117r
BindingDB Entry DOI: 10.7270/Q26Q1ZS0
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50002346
PNG
(CHEMBL384584 | [D-pro10]Dynorphin A(1-11))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48+,51-/m0/s1
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0.240n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Affinity against Opioid receptor mu 1 was determined by measuring the inhibition of [3H]-DAMGO binding to rat forebrain membranes


J Med Chem 40: 2733-9 (1997)


Article DOI: 10.1021/jm960747t
BindingDB Entry DOI: 10.7270/Q2D50M2D
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50002346
PNG
(CHEMBL384584 | [D-pro10]Dynorphin A(1-11))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48+,51-/m0/s1
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0.240n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on binding of [3H]DAMGO to opioid receptor mu in guinea pig cerebellum membranes


J Med Chem 35: 4638-9 (1993)


Article DOI: 10.1021/jm00102a019
BindingDB Entry DOI: 10.7270/Q2416XPM
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
BDBM82078
PNG
(CAS_55508-42-4 | NSC_128644 | Neurotensin)
Show SMILES CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CC(N)=O)NC(=O)C(N)CCCCN)C(=O)NC(CC(C)C)C(O)=O
Show InChI InChI=1S/C36H58N8O9/c1-5-21(4)30(34(50)42-27(36(52)53)17-20(2)3)43-32(48)25(18-22-11-13-23(45)14-12-22)40-33(49)28-10-8-16-44(28)35(51)26(19-29(39)46)41-31(47)24(38)9-6-7-15-37/h11-14,20-21,24-28,30,45H,5-10,15-19,37-38H2,1-4H3,(H2,39,46)(H,40,49)(H,41,47)(H,42,50)(H,43,48)(H,52,53)
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0.25n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 300: 305-13 (2002)


Article DOI: 10.1124/jpet.300.1.305
BindingDB Entry DOI: 10.7270/Q2X34W09
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004178
PNG
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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0.390n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004178
PNG
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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0.390n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells


J Med Chem 52: 610-25 (2009)


Article DOI: 10.1021/jm7012979
BindingDB Entry DOI: 10.7270/Q29K4C5K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002346
PNG
(CHEMBL384584 | [D-pro10]Dynorphin A(1-11))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48+,51-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Affinity against Opioid receptor kappa 1 was determined by measuring the inhibition of [3H]U69,593 binding to guinea pig cerebellar membranes


J Med Chem 40: 2733-9 (1997)


Article DOI: 10.1021/jm960747t
BindingDB Entry DOI: 10.7270/Q2D50M2D
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50002346
PNG
(CHEMBL384584 | [D-pro10]Dynorphin A(1-11))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48+,51-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on binding of [3H]DPDPE to opioid receptor delta in guinea pig cerebellum membranes


J Med Chem 35: 4638-9 (1993)


Article DOI: 10.1021/jm00102a019
BindingDB Entry DOI: 10.7270/Q2416XPM
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50002346
PNG
(CHEMBL384584 | [D-pro10]Dynorphin A(1-11))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48+,51-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Affinity against Opioid receptor delta 1 was determined by measuring the inhibition of [3H]-DPDPE binding to rat forebrain membranes


J Med Chem 40: 2733-9 (1997)


Article DOI: 10.1021/jm960747t
BindingDB Entry DOI: 10.7270/Q2D50M2D
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM82083
PNG
(Alpha-Neoendorphin | CAS_69671-17-6 | CB0427223)
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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C60H89N15O13/c1-36(2)30-46(73-56(84)47(32-37-12-4-3-5-13-37)69-51(79)35-67-50(78)34-68-52(80)42(63)31-38-18-22-40(76)23-19-38)55(83)71-44(16-10-28-66-60(64)65)53(81)70-43(14-6-8-26-61)54(82)74-48(33-39-20-24-41(77)25-21-39)58(86)75-29-11-17-49(75)57(85)72-45(59(87)88)15-7-9-27-62/h3-5,12-13,18-25,36,42-49,76-77H,6-11,14-17,26-35,61-63H2,1-2H3,(H,67,78)(H,68,80)(H,69,79)(H,70,81)(H,71,83)(H,72,85)(H,73,84)(H,74,82)(H,87,88)(H4,64,65,66)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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2.15n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1007-13 (1998)


Article DOI: 10.1111/cbdd.12587
BindingDB Entry DOI: 10.7270/Q2QC022N
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50019482
PNG
(DYNORPHIN A (1-11) | NH2-Tyr-Gly-Gly-D-Trp-Leu-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)=O
Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]DAGO([[3H]-D-Ala,MePhe4,Glyol5]enkephalin) binding to mu sites in rat brain homogenates.


J Med Chem 29: 1913-7 (1986)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM82083
PNG
(Alpha-Neoendorphin | CAS_69671-17-6 | CB0427223)
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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C60H89N15O13/c1-36(2)30-46(73-56(84)47(32-37-12-4-3-5-13-37)69-51(79)35-67-50(78)34-68-52(80)42(63)31-38-18-22-40(76)23-19-38)55(83)71-44(16-10-28-66-60(64)65)53(81)70-43(14-6-8-26-61)54(82)74-48(33-39-20-24-41(77)25-21-39)58(86)75-29-11-17-49(75)57(85)72-45(59(87)88)15-7-9-27-62/h3-5,12-13,18-25,36,42-49,76-77H,6-11,14-17,26-35,61-63H2,1-2H3,(H,67,78)(H,68,80)(H,69,79)(H,70,81)(H,71,83)(H,72,85)(H,73,84)(H,74,82)(H,87,88)(H4,64,65,66)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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3.59n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1007-13 (1998)


Article DOI: 10.1111/cbdd.12587
BindingDB Entry DOI: 10.7270/Q2QC022N
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002349
PNG
(CHEMBL413160 | [N,N-diallylTyr1, D-pro10]Dynorphin...)
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](Cc1ccc(O)cc1)N(CC=C)CC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C69H111N21O13/c1-7-34-89(35-8-2)54(39-45-26-28-46(91)29-27-45)62(98)81-40-55(92)80-41-56(93)82-52(38-44-19-11-10-12-20-44)61(97)87-51(37-42(4)5)60(96)84-47(22-15-31-77-67(71)72)58(94)83-48(23-16-32-78-68(73)74)59(95)88-57(43(6)9-3)64(100)85-49(24-17-33-79-69(75)76)65(101)90-36-18-25-53(90)63(99)86-50(66(102)103)21-13-14-30-70/h7-8,10-12,19-20,26-29,42-43,47-54,57,91H,1-2,9,13-18,21-25,30-41,70H2,3-6H3,(H,80,92)(H,81,98)(H,82,93)(H,83,94)(H,84,96)(H,85,100)(H,86,99)(H,87,97)(H,88,95)(H,102,103)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t43-,47-,48-,49-,50-,51-,52-,53+,54-,57-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on binding of [3H]bremazocine to opioid receptor kappa in guinea pig cerebellum membranes


J Med Chem 35: 4638-9 (1993)


Article DOI: 10.1021/jm00102a019
BindingDB Entry DOI: 10.7270/Q2416XPM
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50034121
PNG
(CHEMBL386823 | Ile-Asn-Pro-Ile-Tyr-Arg-Leu-Arg-Tyr...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C57H91N17O12/c1-7-31(5)45(59)53(84)72-42(29-44(58)77)55(86)74-25-11-14-43(74)52(83)73-46(32(6)8-2)54(85)71-41(28-34-17-21-36(76)22-18-34)51(82)68-38(13-10-24-66-57(63)64)49(80)70-40(26-30(3)4)50(81)67-37(12-9-23-65-56(61)62)48(79)69-39(47(60)78)27-33-15-19-35(75)20-16-33/h15-22,30-32,37-43,45-46,75-76H,7-14,23-29,59H2,1-6H3,(H2,58,77)(H2,60,78)(H,67,81)(H,68,82)(H,69,79)(H,70,80)(H,71,85)(H,72,84)(H,73,83)(H4,61,62,65)(H4,63,64,66)/t31-,32-,37-,38-,39-,40-,41-,42-,43-,45-,46-/m0/s1
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5n/an/an/an/an/an/an/an/a



University of Cincinnati and VA Medical Centers

Curated by ChEMBL


Assay Description
Affinity for cloned Y1 receptor using [125I]-PYY as radioligand


J Med Chem 44: 1479-82 (2001)


Article DOI: 10.1021/jm010031k
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))
BDBM50034121
PNG
(CHEMBL386823 | Ile-Asn-Pro-Ile-Tyr-Arg-Leu-Arg-Tyr...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C57H91N17O12/c1-7-31(5)45(59)53(84)72-42(29-44(58)77)55(86)74-25-11-14-43(74)52(83)73-46(32(6)8-2)54(85)71-41(28-34-17-21-36(76)22-18-34)51(82)68-38(13-10-24-66-57(63)64)49(80)70-40(26-30(3)4)50(81)67-37(12-9-23-65-56(61)62)48(79)69-39(47(60)78)27-33-15-19-35(75)20-16-33/h15-22,30-32,37-43,45-46,75-76H,7-14,23-29,59H2,1-6H3,(H2,58,77)(H2,60,78)(H,67,81)(H,68,82)(H,69,79)(H,70,80)(H,71,85)(H,72,84)(H,73,83)(H4,61,62,65)(H4,63,64,66)/t31-,32-,37-,38-,39-,40-,41-,42-,43-,45-,46-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



University of Cincinnati and VA Medical Centers

Curated by ChEMBL


Assay Description
Affinity for cloned Y4 receptor using [125I]-PP as radioligand


J Med Chem 44: 1479-82 (2001)


Article DOI: 10.1021/jm010031k
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ
More data for this
Ligand-Target Pair
NTSR2


(MOUSE)
BDBM82078
PNG
(CAS_55508-42-4 | NSC_128644 | Neurotensin)
Show SMILES CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CC(N)=O)NC(=O)C(N)CCCCN)C(=O)NC(CC(C)C)C(O)=O
Show InChI InChI=1S/C36H58N8O9/c1-5-21(4)30(34(50)42-27(36(52)53)17-20(2)3)43-32(48)25(18-22-11-13-23(45)14-12-22)40-33(49)28-10-8-16-44(28)35(51)26(19-29(39)46)41-31(47)24(38)9-6-7-15-37/h11-14,20-21,24-28,30,45H,5-10,15-19,37-38H2,1-4H3,(H2,39,46)(H,40,49)(H,41,47)(H,42,50)(H,43,48)(H,52,53)
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7n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 300: 305-13 (2002)


Article DOI: 10.1124/jpet.300.1.305
BindingDB Entry DOI: 10.7270/Q2X34W09
More data for this
Ligand-Target Pair
NT


(GUINEA PIG)
BDBM82078
PNG
(CAS_55508-42-4 | NSC_128644 | Neurotensin)
Show SMILES CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CC(N)=O)NC(=O)C(N)CCCCN)C(=O)NC(CC(C)C)C(O)=O
Show InChI InChI=1S/C36H58N8O9/c1-5-21(4)30(34(50)42-27(36(52)53)17-20(2)3)43-32(48)25(18-22-11-13-23(45)14-12-22)40-33(49)28-10-8-16-44(28)35(51)26(19-29(39)46)41-31(47)24(38)9-6-7-15-37/h11-14,20-21,24-28,30,45H,5-10,15-19,37-38H2,1-4H3,(H2,39,46)(H,40,49)(H,41,47)(H,42,50)(H,43,48)(H,52,53)
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7.10n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Psychopharmacology (Berl) 124: 57-73 (1996)


BindingDB Entry DOI: 10.7270/Q2610XV6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM85782
PNG
([D-Ala8]Dyn A-(1-11)NH2)
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](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C)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/C60H97N21O13/c1-34(2)29-44(80-54(90)45(31-36-13-5-4-6-14-36)75-48(84)33-72-47(83)32-73-50(86)39(62)30-37-20-22-38(82)23-21-37)53(89)77-41(17-10-26-70-59(65)66)52(88)76-40(16-9-25-69-58(63)64)51(87)74-35(3)49(85)78-42(18-11-27-71-60(67)68)56(92)81-28-12-19-46(81)55(91)79-43(57(93)94)15-7-8-24-61/h4-6,13-14,20-23,34-35,39-46,82H,7-12,15-19,24-33,61-62H2,1-3H3,(H,72,83)(H,73,86)(H,74,87)(H,75,84)(H,76,88)(H,77,89)(H,78,85)(H,79,91)(H,80,90)(H,93,94)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t35-,39+,40+,41+,42+,43+,44+,45+,46+/m1/s1
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9.53n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




Chirality 13: 125-9 (2001)


Article DOI: 10.1002/1520-636X(2001)13:3
BindingDB Entry DOI: 10.7270/Q2SJ1J5H
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50002347
PNG
(CHEMBL425806 | [N-cyclopropyl methylTyr1, D-pro10]...)
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](Cc1ccc(O)cc1)NCC1CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C67H109N21O13/c1-5-40(4)55(62(98)84-47(20-13-31-77-67(73)74)63(99)88-32-14-21-52(88)61(97)85-48(64(100)101)17-9-10-28-68)87-58(94)46(19-12-30-76-66(71)72)82-57(93)45(18-11-29-75-65(69)70)83-59(95)50(33-39(2)3)86-60(96)51(35-41-15-7-6-8-16-41)81-54(91)38-79-53(90)37-80-56(92)49(78-36-43-22-23-43)34-42-24-26-44(89)27-25-42/h6-8,15-16,24-27,39-40,43,45-52,55,78,89H,5,9-14,17-23,28-38,68H2,1-4H3,(H,79,90)(H,80,92)(H,81,91)(H,82,93)(H,83,95)(H,84,98)(H,85,97)(H,86,96)(H,87,94)(H,100,101)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t40-,45-,46-,47-,48-,49-,50-,51-,52+,55-/m0/s1
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9.60n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on binding of [3H]DAMGO to opioid receptor mu in guinea pig cerebellum membranes


J Med Chem 35: 4638-9 (1993)


Article DOI: 10.1021/jm00102a019
BindingDB Entry DOI: 10.7270/Q2416XPM
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50019482
PNG
(DYNORPHIN A (1-11) | NH2-Tyr-Gly-Gly-D-Trp-Leu-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)=O
Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]DSLET([[3H]-D-Ser2,Leu5,Thr6]enkephalin binding to Opioid receptor delta 1 in rat brain homogenates.


J Med Chem 29: 1913-7 (1986)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50002350
PNG
(CHEMBL265387 | [N-allylTyr1, D-pro10]Dynorphin A(1...)
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](Cc1ccc(O)cc1)NCC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C66H107N21O13/c1-6-29-74-48(35-42-24-26-43(88)27-25-42)55(91)79-37-52(89)78-38-53(90)80-50(36-41-17-9-8-10-18-41)59(95)85-49(34-39(3)4)58(94)82-44(20-13-30-75-64(68)69)56(92)81-45(21-14-31-76-65(70)71)57(93)86-54(40(5)7-2)61(97)83-46(22-15-32-77-66(72)73)62(98)87-33-16-23-51(87)60(96)84-47(63(99)100)19-11-12-28-67/h6,8-10,17-18,24-27,39-40,44-51,54,74,88H,1,7,11-16,19-23,28-38,67H2,2-5H3,(H,78,89)(H,79,91)(H,80,90)(H,81,92)(H,82,94)(H,83,97)(H,84,96)(H,85,95)(H,86,93)(H,99,100)(H4,68,69,75)(H4,70,71,76)(H4,72,73,77)/t40-,44-,45-,46-,47-,48-,49-,50-,51+,54-/m0/s1
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11n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on binding of [3H]DAMGO to opioid receptor mu in guinea pig cerebellum membranes


J Med Chem 35: 4638-9 (1993)


Article DOI: 10.1021/jm00102a019
BindingDB Entry DOI: 10.7270/Q2416XPM
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50034121
PNG
(CHEMBL386823 | Ile-Asn-Pro-Ile-Tyr-Arg-Leu-Arg-Tyr...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C57H91N17O12/c1-7-31(5)45(59)53(84)72-42(29-44(58)77)55(86)74-25-11-14-43(74)52(83)73-46(32(6)8-2)54(85)71-41(28-34-17-21-36(76)22-18-34)51(82)68-38(13-10-24-66-57(63)64)49(80)70-40(26-30(3)4)50(81)67-37(12-9-23-65-56(61)62)48(79)69-39(47(60)78)27-33-15-19-35(75)20-16-33/h15-22,30-32,37-43,45-46,75-76H,7-14,23-29,59H2,1-6H3,(H2,58,77)(H2,60,78)(H,67,81)(H,68,82)(H,69,79)(H,70,80)(H,71,85)(H,72,84)(H,73,83)(H4,61,62,65)(H4,63,64,66)/t31-,32-,37-,38-,39-,40-,41-,42-,43-,45-,46-/m0/s1
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11.3n/an/an/an/an/an/an/an/a



University of Cincinnati and VA Medical Centers

Curated by ChEMBL


Assay Description
Affinity for cloned Y2 receptor using [125I]-PYY as radioligand


J Med Chem 44: 1479-82 (2001)


Article DOI: 10.1021/jm010031k
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50027808
PNG
((Dynorphin)2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydro...)
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+/m1/s1
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11.4n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1007-13 (1998)


Article DOI: 10.1111/cbdd.12587
BindingDB Entry DOI: 10.7270/Q2QC022N
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50002345
PNG
(CHEMBL407529 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Arg-ll...)
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](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C70H109N21O13/c1-5-43(4)58(65(101)87-50(25-16-34-80-70(76)77)66(102)91-35-17-26-55(91)64(100)88-51(67(103)104)22-12-13-31-71)90-61(97)49(24-15-33-79-69(74)75)85-60(96)48(23-14-32-78-68(72)73)86-62(98)53(36-42(2)3)89-63(99)54(38-44-18-8-6-9-19-44)84-57(94)41-82-56(93)40-83-59(95)52(37-45-27-29-47(92)30-28-45)81-39-46-20-10-7-11-21-46/h6-11,18-21,27-30,42-43,48-55,58,81,92H,5,12-17,22-26,31-41,71H2,1-4H3,(H,82,93)(H,83,95)(H,84,94)(H,85,96)(H,86,98)(H,87,101)(H,88,100)(H,89,99)(H,90,97)(H,103,104)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t43-,48-,49-,50-,51-,52-,53-,54-,55+,58-/m0/s1
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15.5n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa opioid receptor expressed in CHO cells


J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002346
PNG
(CHEMBL384584 | [D-pro10]Dynorphin A(1-11))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48+,51-/m0/s1
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23n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Affinity against Opioid receptor kappa 3 was determined by measuring the inhibition of [3H]-NalBzoH binding to guinea pig cerebellar membranes


J Med Chem 40: 2733-9 (1997)


Article DOI: 10.1021/jm960747t
BindingDB Entry DOI: 10.7270/Q2D50M2D
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50002345
PNG
(CHEMBL407529 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Arg-ll...)
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](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C70H109N21O13/c1-5-43(4)58(65(101)87-50(25-16-34-80-70(76)77)66(102)91-35-17-26-55(91)64(100)88-51(67(103)104)22-12-13-31-71)90-61(97)49(24-15-33-79-69(74)75)85-60(96)48(23-14-32-78-68(72)73)86-62(98)53(36-42(2)3)89-63(99)54(38-44-18-8-6-9-19-44)84-57(94)41-82-56(93)40-83-59(95)52(37-45-27-29-47(92)30-28-45)81-39-46-20-10-7-11-21-46/h6-11,18-21,27-30,42-43,48-55,58,81,92H,5,12-17,22-26,31-41,71H2,1-4H3,(H,82,93)(H,83,95)(H,84,94)(H,85,96)(H,86,98)(H,87,101)(H,88,100)(H,89,99)(H,90,97)(H,103,104)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t43-,48-,49-,50-,51-,52-,53-,54-,55+,58-/m0/s1
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31n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on binding of [3H]DAMGO to opioid receptor mu in guinea pig cerebellum membranes


J Med Chem 35: 4638-9 (1993)


Article DOI: 10.1021/jm00102a019
BindingDB Entry DOI: 10.7270/Q2416XPM
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50002349
PNG
(CHEMBL413160 | [N,N-diallylTyr1, D-pro10]Dynorphin...)
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](Cc1ccc(O)cc1)N(CC=C)CC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C69H111N21O13/c1-7-34-89(35-8-2)54(39-45-26-28-46(91)29-27-45)62(98)81-40-55(92)80-41-56(93)82-52(38-44-19-11-10-12-20-44)61(97)87-51(37-42(4)5)60(96)84-47(22-15-31-77-67(71)72)58(94)83-48(23-16-32-78-68(73)74)59(95)88-57(43(6)9-3)64(100)85-49(24-17-33-79-69(75)76)65(101)90-36-18-25-53(90)63(99)86-50(66(102)103)21-13-14-30-70/h7-8,10-12,19-20,26-29,42-43,47-54,57,91H,1-2,9,13-18,21-25,30-41,70H2,3-6H3,(H,80,92)(H,81,98)(H,82,93)(H,83,94)(H,84,96)(H,85,100)(H,86,99)(H,87,97)(H,88,95)(H,102,103)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t43-,47-,48-,49-,50-,51-,52-,53+,54-,57-/m0/s1
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32n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on binding of [3H]DAMGO to opioid receptor mu in guinea pig cerebellum membranes


J Med Chem 35: 4638-9 (1993)


Article DOI: 10.1021/jm00102a019
BindingDB Entry DOI: 10.7270/Q2416XPM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50027808
PNG
((Dynorphin)2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydro...)
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+/m1/s1
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39.8n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1007-13 (1998)


Article DOI: 10.1111/cbdd.12587
BindingDB Entry DOI: 10.7270/Q2QC022N
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM85779
PNG
([D-Phe4, D-Ala8]Dyn A-(1-11)NH2)
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](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C)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/C60H97N21O13/c1-34(2)29-44(80-54(90)45(31-36-13-5-4-6-14-36)75-48(84)33-72-47(83)32-73-50(86)39(62)30-37-20-22-38(82)23-21-37)53(89)77-41(17-10-26-70-59(65)66)52(88)76-40(16-9-25-69-58(63)64)51(87)74-35(3)49(85)78-42(18-11-27-71-60(67)68)56(92)81-28-12-19-46(81)55(91)79-43(57(93)94)15-7-8-24-61/h4-6,13-14,20-23,34-35,39-46,82H,7-12,15-19,24-33,61-62H2,1-3H3,(H,72,83)(H,73,86)(H,74,87)(H,75,84)(H,76,88)(H,77,89)(H,78,85)(H,79,91)(H,80,90)(H,93,94)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t35-,39+,40+,41+,42+,43+,44+,45-,46+/m1/s1
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88.2n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




Chirality 13: 125-9 (2001)


Article DOI: 10.1002/1520-636X(2001)13:3
BindingDB Entry DOI: 10.7270/Q2SJ1J5H
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50027808
PNG
((Dynorphin)2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydro...)
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+/m1/s1
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124n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69,593 from Opioid receptor kappa 1 in guinea pig cerebellar.


J Med Chem 43: 2992-3004 (2000)


Article DOI: 10.1021/jm990356p
BindingDB Entry DOI: 10.7270/Q2862H5C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50004178
PNG
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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147n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
BindingDB Entry DOI: 10.7270/Q2NS0V9T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50002349
PNG
(CHEMBL413160 | [N,N-diallylTyr1, D-pro10]Dynorphin...)
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](Cc1ccc(O)cc1)N(CC=C)CC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C69H111N21O13/c1-7-34-89(35-8-2)54(39-45-26-28-46(91)29-27-45)62(98)81-40-55(92)80-41-56(93)82-52(38-44-19-11-10-12-20-44)61(97)87-51(37-42(4)5)60(96)84-47(22-15-31-77-67(71)72)58(94)83-48(23-16-32-78-68(73)74)59(95)88-57(43(6)9-3)64(100)85-49(24-17-33-79-69(75)76)65(101)90-36-18-25-53(90)63(99)86-50(66(102)103)21-13-14-30-70/h7-8,10-12,19-20,26-29,42-43,47-54,57,91H,1-2,9,13-18,21-25,30-41,70H2,3-6H3,(H,80,92)(H,81,98)(H,82,93)(H,83,94)(H,84,96)(H,85,100)(H,86,99)(H,87,97)(H,88,95)(H,102,103)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t43-,47-,48-,49-,50-,51-,52-,53+,54-,57-/m0/s1
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149n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on binding of [3H]DPDPE to opioid receptor delta in guinea pig cerebellum membranes


J Med Chem 35: 4638-9 (1993)


Article DOI: 10.1021/jm00102a019
BindingDB Entry DOI: 10.7270/Q2416XPM
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50002345
PNG
(CHEMBL407529 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Arg-ll...)
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](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C70H109N21O13/c1-5-43(4)58(65(101)87-50(25-16-34-80-70(76)77)66(102)91-35-17-26-55(91)64(100)88-51(67(103)104)22-12-13-31-71)90-61(97)49(24-15-33-79-69(74)75)85-60(96)48(23-14-32-78-68(72)73)86-62(98)53(36-42(2)3)89-63(99)54(38-44-18-8-6-9-19-44)84-57(94)41-82-56(93)40-83-59(95)52(37-45-27-29-47(92)30-28-45)81-39-46-20-10-7-11-21-46/h6-11,18-21,27-30,42-43,48-55,58,81,92H,5,12-17,22-26,31-41,71H2,1-4H3,(H,82,93)(H,83,95)(H,84,94)(H,85,96)(H,86,98)(H,87,101)(H,88,100)(H,89,99)(H,90,97)(H,103,104)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t43-,48-,49-,50-,51-,52-,53-,54-,55+,58-/m0/s1
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159n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in CHO cells


J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50002345
PNG
(CHEMBL407529 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Arg-ll...)
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](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C70H109N21O13/c1-5-43(4)58(65(101)87-50(25-16-34-80-70(76)77)66(102)91-35-17-26-55(91)64(100)88-51(67(103)104)22-12-13-31-71)90-61(97)49(24-15-33-79-69(74)75)85-60(96)48(23-14-32-78-68(72)73)86-62(98)53(36-42(2)3)89-63(99)54(38-44-18-8-6-9-19-44)84-57(94)41-82-56(93)40-83-59(95)52(37-45-27-29-47(92)30-28-45)81-39-46-20-10-7-11-21-46/h6-11,18-21,27-30,42-43,48-55,58,81,92H,5,12-17,22-26,31-41,71H2,1-4H3,(H,82,93)(H,83,95)(H,84,94)(H,85,96)(H,86,98)(H,87,101)(H,88,100)(H,89,99)(H,90,97)(H,103,104)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t43-,48-,49-,50-,51-,52-,53-,54-,55+,58-/m0/s1
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176n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on binding of [3H]DPDPE to opioid receptor delta in guinea pig cerebellum membranes


J Med Chem 35: 4638-9 (1993)


Article DOI: 10.1021/jm00102a019
BindingDB Entry DOI: 10.7270/Q2416XPM
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(MOUSE)
BDBM82083
PNG
(Alpha-Neoendorphin | CAS_69671-17-6 | CB0427223)
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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C60H89N15O13/c1-36(2)30-46(73-56(84)47(32-37-12-4-3-5-13-37)69-51(79)35-67-50(78)34-68-52(80)42(63)31-38-18-22-40(76)23-19-38)55(83)71-44(16-10-28-66-60(64)65)53(81)70-43(14-6-8-26-61)54(82)74-48(33-39-20-24-41(77)25-21-39)58(86)75-29-11-17-49(75)57(85)72-45(59(87)88)15-7-9-27-62/h3-5,12-13,18-25,36,42-49,76-77H,6-11,14-17,26-35,61-63H2,1-2H3,(H,67,78)(H,68,80)(H,69,79)(H,70,81)(H,71,83)(H,72,85)(H,73,84)(H,74,82)(H,87,88)(H4,64,65,66)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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192n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Pharmacol Rev 53: 381-415 (2001)


BindingDB Entry DOI: 10.7270/Q2QJ7FWB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027808
PNG
((Dynorphin)2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydro...)
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+/m1/s1
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241n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Tested for binding affinity by [3H]diprenorphine displacement for Opioid receptor delta 1 are carried on crude membrane fractions obtained from the w...


J Med Chem 43: 2992-3004 (2000)


Article DOI: 10.1021/jm990356p
BindingDB Entry DOI: 10.7270/Q2862H5C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50004178
PNG
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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270n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor type, human Opioid receptor mu 1 expressed in membrane homogenates of COS-1 or CHO cells


J Med Chem 45: 5353-7 (2002)


Article DOI: 10.1021/jm020078l
BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50004178
PNG
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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437n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
BindingDB Entry DOI: 10.7270/Q2NS0V9T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50002350
PNG
(CHEMBL265387 | [N-allylTyr1, D-pro10]Dynorphin A(1...)
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](Cc1ccc(O)cc1)NCC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C66H107N21O13/c1-6-29-74-48(35-42-24-26-43(88)27-25-42)55(91)79-37-52(89)78-38-53(90)80-50(36-41-17-9-8-10-18-41)59(95)85-49(34-39(3)4)58(94)82-44(20-13-30-75-64(68)69)56(92)81-45(21-14-31-76-65(70)71)57(93)86-54(40(5)7-2)61(97)83-46(22-15-32-77-66(72)73)62(98)87-33-16-23-51(87)60(96)84-47(63(99)100)19-11-12-28-67/h6,8-10,17-18,24-27,39-40,44-51,54,74,88H,1,7,11-16,19-23,28-38,67H2,2-5H3,(H,78,89)(H,79,91)(H,80,90)(H,81,92)(H,82,94)(H,83,97)(H,84,96)(H,85,95)(H,86,93)(H,99,100)(H4,68,69,75)(H4,70,71,76)(H4,72,73,77)/t40-,44-,45-,46-,47-,48-,49-,50-,51+,54-/m0/s1
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449n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on binding of [3H]DPDPE to opioid receptor delta in guinea pig cerebellum membranes


J Med Chem 35: 4638-9 (1993)


Article DOI: 10.1021/jm00102a019
BindingDB Entry DOI: 10.7270/Q2416XPM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50002347
PNG
(CHEMBL425806 | [N-cyclopropyl methylTyr1, D-pro10]...)
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](Cc1ccc(O)cc1)NCC1CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C67H109N21O13/c1-5-40(4)55(62(98)84-47(20-13-31-77-67(73)74)63(99)88-32-14-21-52(88)61(97)85-48(64(100)101)17-9-10-28-68)87-58(94)46(19-12-30-76-66(71)72)82-57(93)45(18-11-29-75-65(69)70)83-59(95)50(33-39(2)3)86-60(96)51(35-41-15-7-6-8-16-41)81-54(91)38-79-53(90)37-80-56(92)49(78-36-43-22-23-43)34-42-24-26-44(89)27-25-42/h6-8,15-16,24-27,39-40,43,45-52,55,78,89H,5,9-14,17-23,28-38,68H2,1-4H3,(H,79,90)(H,80,92)(H,81,91)(H,82,93)(H,83,95)(H,84,98)(H,85,97)(H,86,96)(H,87,94)(H,100,101)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t40-,45-,46-,47-,48-,49-,50-,51-,52+,55-/m0/s1
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Article
PubMed
558n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on binding of [3H]DPDPE to opioid receptor delta in guinea pig cerebellum membranes


J Med Chem 35: 4638-9 (1993)


Article DOI: 10.1021/jm00102a019
BindingDB Entry DOI: 10.7270/Q2416XPM
More data for this
Ligand-Target Pair
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