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PubMed code 2876099

Compile data set for download or QSAR
Found 51 hits of Enzyme Inhibition Constant Data   
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


(Cavia porcellus (domestic guinea pig))
BDBM50019484
PNG
(CHEMBL384584 | NH2-Tyr-D-Trp-Gly-Phe-Leu-Arg-Arg-D...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48+,51-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0320n/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)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019480
PNG
(CHEMBL2373009 | NH2-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-D-...)
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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:4.4,76.79,51.52,94.98,wD:90.95,62.63,40.41,8.16,27.28,(-1.12,-19.2,;-1.46,-17.7,;-2.93,-17.24,;-.32,-16.66,;-.66,-15.15,;.47,-14.11,;1.94,-14.57,;2.28,-16.07,;3.07,-13.52,;2.73,-12.02,;1.26,-11.56,;.92,-10.06,;-.55,-9.6,;-1.68,-10.65,;-1.34,-12.15,;.13,-12.61,;4.54,-13.98,;5.67,-12.93,;5.33,-11.43,;7.14,-13.39,;8.27,-12.35,;9.74,-12.8,;10.08,-14.3,;10.87,-11.76,;12.34,-12.21,;13.48,-11.17,;13.14,-9.67,;14.95,-11.63,;15.29,-13.13,;16.08,-10.58,;17.55,-11.04,;18.68,-9.99,;20.15,-10.45,;20.49,-11.95,;21.96,-12.41,;19.36,-13,;17.89,-12.54,;-2.13,-14.7,;-2.47,-13.19,;-3.27,-15.74,;-4.74,-15.28,;-5.08,-13.78,;-3.94,-12.74,;-4.28,-11.23,;-3.15,-10.19,;-3.49,-8.69,;-2.36,-7.64,;-4.96,-8.23,;-5.87,-16.33,;-5.53,-17.83,;-7.34,-15.87,;-8.47,-16.92,;-8.13,-18.42,;-9.26,-19.46,;-8.92,-20.97,;-10.05,-22.01,;-9.71,-23.51,;-10.84,-24.56,;-8.24,-23.97,;-9.94,-16.46,;-10.28,-14.96,;-11.07,-17.5,;-12.54,-17.05,;-13.67,-18.09,;-15.14,-17.64,;-15.64,-16.18,;-17.18,-16.2,;-17.64,-17.67,;-19.03,-18.31,;-19.18,-19.84,;-17.92,-20.73,;-16.52,-20.09,;-16.38,-18.56,;-12.88,-15.55,;-14.35,-15.09,;-11.75,-14.5,;-12.09,-13,;-13.56,-12.54,;-13.9,-11.04,;-15.37,-10.58,;-15.71,-9.08,;-17.18,-8.62,;-17.52,-7.12,;-18.31,-9.67,;-10.96,-11.95,;-9.49,-12.41,;-11.3,-10.45,;-12.71,-9.84,;-12.57,-8.31,;-11.07,-7.97,;-10.28,-9.29,;-8.75,-9.43,;-8.1,-10.83,;-7.86,-8.18,;-6.33,-8.32,;-5.44,-7.06,;-3.9,-7.2,;-3.01,-5.95,;-1.48,-6.09,;-.59,-4.83,;-5.68,-9.72,;-6.57,-10.98,;-4.15,-9.86,)|
Show InChI InChI=1S/C68H102N22O13/c1-39(2)32-51(88-61(98)52(34-40-14-4-3-5-15-40)83-56(93)38-81-55(92)37-82-57(94)45(70)33-41-23-25-43(91)26-24-41)60(97)85-47(19-10-28-77-66(71)72)58(95)84-48(20-11-29-78-67(73)74)59(96)89-53(35-42-36-80-46-17-7-6-16-44(42)46)62(99)86-49(21-12-30-79-68(75)76)64(101)90-31-13-22-54(90)63(100)87-50(65(102)103)18-8-9-27-69/h3-7,14-17,23-26,36,39,45,47-54,80,91H,8-13,18-22,27-35,37-38,69-70H2,1-2H3,(H,81,92)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,100)(H,88,98)(H,89,96)(H,102,103)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t45-,47-,48-,49-,50-,51-,52-,53+,54+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0490n/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)

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

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
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)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019481
PNG
(CHEMBL2028997 | NH2-Tyr-Gly-Gly-Phe-D-Trp-Arg-Arg-...)
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)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C99H154N30O24/c1-7-55(6)81(128-86(142)66(28-18-40-111-98(106)107)117-83(139)65(27-17-39-110-97(104)105)119-88(144)70(44-54(4)5)124-89(145)71(46-56-21-9-8-10-22-56)116-78(133)52-114-77(132)51-115-82(138)61(102)45-57-31-33-59(130)34-32-57)94(150)121-67(29-19-41-112-99(108)109)95(151)129-42-20-30-75(129)93(149)120-64(26-14-16-38-101)85(141)123-69(43-53(2)3)87(143)118-63(25-13-15-37-100)84(140)125-72(47-58-50-113-62-24-12-11-23-60(58)62)90(146)127-74(49-80(136)137)92(148)126-73(48-76(103)131)91(147)122-68(96(152)153)35-36-79(134)135/h8-12,21-24,31-34,50,53-55,61,63-75,81,113,130H,7,13-20,25-30,35-49,51-52,100-102H2,1-6H3,(H2,103,131)(H,114,132)(H,115,138)(H,116,133)(H,117,139)(H,118,143)(H,119,144)(H,120,149)(H,121,150)(H,122,147)(H,123,141)(H,124,145)(H,125,140)(H,126,148)(H,127,146)(H,128,142)(H,134,135)(H,136,137)(H,152,153)(H4,104,105,110)(H4,106,107,111)(H4,108,109,112)/t55-,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.230n/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)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50019480
PNG
(CHEMBL2373009 | NH2-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-D-...)
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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:4.4,76.79,51.52,94.98,wD:90.95,62.63,40.41,8.16,27.28,(-1.12,-19.2,;-1.46,-17.7,;-2.93,-17.24,;-.32,-16.66,;-.66,-15.15,;.47,-14.11,;1.94,-14.57,;2.28,-16.07,;3.07,-13.52,;2.73,-12.02,;1.26,-11.56,;.92,-10.06,;-.55,-9.6,;-1.68,-10.65,;-1.34,-12.15,;.13,-12.61,;4.54,-13.98,;5.67,-12.93,;5.33,-11.43,;7.14,-13.39,;8.27,-12.35,;9.74,-12.8,;10.08,-14.3,;10.87,-11.76,;12.34,-12.21,;13.48,-11.17,;13.14,-9.67,;14.95,-11.63,;15.29,-13.13,;16.08,-10.58,;17.55,-11.04,;18.68,-9.99,;20.15,-10.45,;20.49,-11.95,;21.96,-12.41,;19.36,-13,;17.89,-12.54,;-2.13,-14.7,;-2.47,-13.19,;-3.27,-15.74,;-4.74,-15.28,;-5.08,-13.78,;-3.94,-12.74,;-4.28,-11.23,;-3.15,-10.19,;-3.49,-8.69,;-2.36,-7.64,;-4.96,-8.23,;-5.87,-16.33,;-5.53,-17.83,;-7.34,-15.87,;-8.47,-16.92,;-8.13,-18.42,;-9.26,-19.46,;-8.92,-20.97,;-10.05,-22.01,;-9.71,-23.51,;-10.84,-24.56,;-8.24,-23.97,;-9.94,-16.46,;-10.28,-14.96,;-11.07,-17.5,;-12.54,-17.05,;-13.67,-18.09,;-15.14,-17.64,;-15.64,-16.18,;-17.18,-16.2,;-17.64,-17.67,;-19.03,-18.31,;-19.18,-19.84,;-17.92,-20.73,;-16.52,-20.09,;-16.38,-18.56,;-12.88,-15.55,;-14.35,-15.09,;-11.75,-14.5,;-12.09,-13,;-13.56,-12.54,;-13.9,-11.04,;-15.37,-10.58,;-15.71,-9.08,;-17.18,-8.62,;-17.52,-7.12,;-18.31,-9.67,;-10.96,-11.95,;-9.49,-12.41,;-11.3,-10.45,;-12.71,-9.84,;-12.57,-8.31,;-11.07,-7.97,;-10.28,-9.29,;-8.75,-9.43,;-8.1,-10.83,;-7.86,-8.18,;-6.33,-8.32,;-5.44,-7.06,;-3.9,-7.2,;-3.01,-5.95,;-1.48,-6.09,;-.59,-4.83,;-5.68,-9.72,;-6.57,-10.98,;-4.15,-9.86,)|
Show InChI InChI=1S/C68H102N22O13/c1-39(2)32-51(88-61(98)52(34-40-14-4-3-5-15-40)83-56(93)38-81-55(92)37-82-57(94)45(70)33-41-23-25-43(91)26-24-41)60(97)85-47(19-10-28-77-66(71)72)58(95)84-48(20-11-29-78-67(73)74)59(96)89-53(35-42-36-80-46-17-7-6-16-44(42)46)62(99)86-49(21-12-30-79-68(75)76)64(101)90-31-13-22-54(90)63(100)87-50(65(102)103)18-8-9-27-69/h3-7,14-17,23-26,36,39,45,47-54,80,91H,8-13,18-22,27-35,37-38,69-70H2,1-2H3,(H,81,92)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,100)(H,88,98)(H,89,96)(H,102,103)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t45-,47-,48-,49-,50-,51-,52-,53+,54+/m0/s1
PDB

Reactome pathway
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
0.580n/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)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50019481
PNG
(CHEMBL2028997 | NH2-Tyr-Gly-Gly-Phe-D-Trp-Arg-Arg-...)
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)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C99H154N30O24/c1-7-55(6)81(128-86(142)66(28-18-40-111-98(106)107)117-83(139)65(27-17-39-110-97(104)105)119-88(144)70(44-54(4)5)124-89(145)71(46-56-21-9-8-10-22-56)116-78(133)52-114-77(132)51-115-82(138)61(102)45-57-31-33-59(130)34-32-57)94(150)121-67(29-19-41-112-99(108)109)95(151)129-42-20-30-75(129)93(149)120-64(26-14-16-38-101)85(141)123-69(43-53(2)3)87(143)118-63(25-13-15-37-100)84(140)125-72(47-58-50-113-62-24-12-11-23-60(58)62)90(146)127-74(49-80(136)137)92(148)126-73(48-76(103)131)91(147)122-68(96(152)153)35-36-79(134)135/h8-12,21-24,31-34,50,53-55,61,63-75,81,113,130H,7,13-20,25-30,35-49,51-52,100-102H2,1-6H3,(H2,103,131)(H,114,132)(H,115,138)(H,116,133)(H,117,139)(H,118,143)(H,119,144)(H,120,149)(H,121,150)(H,122,147)(H,123,141)(H,124,145)(H,125,140)(H,126,148)(H,127,146)(H,128,142)(H,134,135)(H,136,137)(H,152,153)(H4,104,105,110)(H4,106,107,111)(H4,108,109,112)/t55-,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/m0/s1
PDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.60n/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)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50019484
PNG
(CHEMBL384584 | NH2-Tyr-D-Trp-Gly-Phe-Leu-Arg-Arg-D...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=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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2n/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)

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 |r|
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)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50019480
PNG
(CHEMBL2373009 | NH2-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-D-...)
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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:4.4,76.79,51.52,94.98,wD:90.95,62.63,40.41,8.16,27.28,(-1.12,-19.2,;-1.46,-17.7,;-2.93,-17.24,;-.32,-16.66,;-.66,-15.15,;.47,-14.11,;1.94,-14.57,;2.28,-16.07,;3.07,-13.52,;2.73,-12.02,;1.26,-11.56,;.92,-10.06,;-.55,-9.6,;-1.68,-10.65,;-1.34,-12.15,;.13,-12.61,;4.54,-13.98,;5.67,-12.93,;5.33,-11.43,;7.14,-13.39,;8.27,-12.35,;9.74,-12.8,;10.08,-14.3,;10.87,-11.76,;12.34,-12.21,;13.48,-11.17,;13.14,-9.67,;14.95,-11.63,;15.29,-13.13,;16.08,-10.58,;17.55,-11.04,;18.68,-9.99,;20.15,-10.45,;20.49,-11.95,;21.96,-12.41,;19.36,-13,;17.89,-12.54,;-2.13,-14.7,;-2.47,-13.19,;-3.27,-15.74,;-4.74,-15.28,;-5.08,-13.78,;-3.94,-12.74,;-4.28,-11.23,;-3.15,-10.19,;-3.49,-8.69,;-2.36,-7.64,;-4.96,-8.23,;-5.87,-16.33,;-5.53,-17.83,;-7.34,-15.87,;-8.47,-16.92,;-8.13,-18.42,;-9.26,-19.46,;-8.92,-20.97,;-10.05,-22.01,;-9.71,-23.51,;-10.84,-24.56,;-8.24,-23.97,;-9.94,-16.46,;-10.28,-14.96,;-11.07,-17.5,;-12.54,-17.05,;-13.67,-18.09,;-15.14,-17.64,;-15.64,-16.18,;-17.18,-16.2,;-17.64,-17.67,;-19.03,-18.31,;-19.18,-19.84,;-17.92,-20.73,;-16.52,-20.09,;-16.38,-18.56,;-12.88,-15.55,;-14.35,-15.09,;-11.75,-14.5,;-12.09,-13,;-13.56,-12.54,;-13.9,-11.04,;-15.37,-10.58,;-15.71,-9.08,;-17.18,-8.62,;-17.52,-7.12,;-18.31,-9.67,;-10.96,-11.95,;-9.49,-12.41,;-11.3,-10.45,;-12.71,-9.84,;-12.57,-8.31,;-11.07,-7.97,;-10.28,-9.29,;-8.75,-9.43,;-8.1,-10.83,;-7.86,-8.18,;-6.33,-8.32,;-5.44,-7.06,;-3.9,-7.2,;-3.01,-5.95,;-1.48,-6.09,;-.59,-4.83,;-5.68,-9.72,;-6.57,-10.98,;-4.15,-9.86,)|
Show InChI InChI=1S/C68H102N22O13/c1-39(2)32-51(88-61(98)52(34-40-14-4-3-5-15-40)83-56(93)38-81-55(92)37-82-57(94)45(70)33-41-23-25-43(91)26-24-41)60(97)85-47(19-10-28-77-66(71)72)58(95)84-48(20-11-29-78-67(73)74)59(96)89-53(35-42-36-80-46-17-7-6-16-44(42)46)62(99)86-49(21-12-30-79-68(75)76)64(101)90-31-13-22-54(90)63(100)87-50(65(102)103)18-8-9-27-69/h3-7,14-17,23-26,36,39,45,47-54,80,91H,8-13,18-22,27-35,37-38,69-70H2,1-2H3,(H,81,92)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,100)(H,88,98)(H,89,96)(H,102,103)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t45-,47-,48-,49-,50-,51-,52-,53+,54+/m0/s1
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5.40n/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)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50019481
PNG
(CHEMBL2028997 | NH2-Tyr-Gly-Gly-Phe-D-Trp-Arg-Arg-...)
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)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C99H154N30O24/c1-7-55(6)81(128-86(142)66(28-18-40-111-98(106)107)117-83(139)65(27-17-39-110-97(104)105)119-88(144)70(44-54(4)5)124-89(145)71(46-56-21-9-8-10-22-56)116-78(133)52-114-77(132)51-115-82(138)61(102)45-57-31-33-59(130)34-32-57)94(150)121-67(29-19-41-112-99(108)109)95(151)129-42-20-30-75(129)93(149)120-64(26-14-16-38-101)85(141)123-69(43-53(2)3)87(143)118-63(25-13-15-37-100)84(140)125-72(47-58-50-113-62-24-12-11-23-60(58)62)90(146)127-74(49-80(136)137)92(148)126-73(48-76(103)131)91(147)122-68(96(152)153)35-36-79(134)135/h8-12,21-24,31-34,50,53-55,61,63-75,81,113,130H,7,13-20,25-30,35-49,51-52,100-102H2,1-6H3,(H2,103,131)(H,114,132)(H,115,138)(H,116,133)(H,117,139)(H,118,143)(H,119,144)(H,120,149)(H,121,150)(H,122,147)(H,123,141)(H,124,145)(H,125,140)(H,126,148)(H,127,146)(H,128,142)(H,134,135)(H,136,137)(H,152,153)(H4,104,105,110)(H4,106,107,111)(H4,108,109,112)/t55-,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/m0/s1
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6.30n/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)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50019484
PNG
(CHEMBL384584 | NH2-Tyr-D-Trp-Gly-Phe-Leu-Arg-Arg-D...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=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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7.5n/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)

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 |r|
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)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50452250
PNG
(CHEMBL2373014)
Show SMILES NCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |wU:16.24,41.51,5.5,wD:9.8,63.78,27.40,52.62,77.90,96.102,(25.1,-5.27,;24.22,-6.52,;22.68,-6.38,;21.79,-7.64,;20.26,-7.5,;19.37,-8.75,;17.84,-8.61,;16.95,-9.87,;17.59,-11.27,;15.41,-9.73,;14.63,-8.41,;13.12,-8.74,;12.98,-10.28,;14.4,-10.89,;14.74,-12.39,;16.21,-12.85,;13.61,-13.43,;12.14,-12.98,;11.8,-11.47,;10.33,-11.02,;9.99,-9.51,;8.52,-9.06,;8.18,-7.56,;7.38,-10.1,;13.95,-14.94,;12.81,-15.98,;11.34,-15.52,;13.15,-17.48,;12.02,-18.53,;10.55,-18.07,;10.06,-16.61,;8.52,-16.63,;8.06,-18.1,;6.66,-18.75,;6.52,-20.28,;7.78,-21.17,;9.18,-20.53,;9.32,-18.99,;14.62,-17.94,;15.76,-16.9,;15.42,-15.39,;17.23,-17.35,;17.57,-18.85,;16.43,-19.9,;16.77,-21.4,;15.64,-22.45,;15.98,-23.95,;14.85,-24.99,;17.45,-24.41,;18.36,-16.31,;19.83,-16.76,;20.17,-18.27,;20.96,-15.72,;20.62,-14.22,;21.75,-13.17,;21.41,-11.67,;22.54,-10.63,;22.2,-9.12,;23.33,-8.08,;20.73,-8.67,;22.43,-16.18,;23.56,-15.13,;23.22,-13.63,;25.03,-15.59,;25.37,-17.09,;24.24,-18.14,;22.73,-17.83,;21.98,-19.18,;23.02,-20.31,;22.88,-21.84,;24.14,-22.73,;25.54,-22.09,;25.68,-20.55,;24.42,-19.67,;26.16,-14.54,;27.63,-15,;27.97,-16.5,;28.76,-13.96,;28.43,-12.45,;26.95,-12,;25.82,-13.04,;24.35,-12.58,;24.01,-11.08,;25.14,-10.04,;26.62,-10.49,;30.23,-14.41,;31.37,-13.37,;31.03,-11.87,;32.84,-13.83,;33.97,-12.78,;35.44,-13.24,;35.78,-14.74,;36.57,-12.19,;38.04,-12.65,;39.17,-11.6,;38.83,-10.1,;40.64,-12.06,;40.98,-13.56,;41.77,-11.02,;43.24,-11.47,;44.38,-10.43,;45.85,-10.89,;46.19,-12.39,;47.66,-12.85,;45.05,-13.43,;43.58,-12.98,;20.01,-10.15,;19.13,-11.41,;21.55,-10.29,)|
Show InChI InChI=1S/C73H101N23O13/c74-29-9-8-20-55(70(108)109)93-68(106)59-24-13-33-96(59)69(107)54(23-12-32-84-73(80)81)92-67(105)58(37-45-39-86-51-19-7-5-17-48(45)51)94-64(102)53(22-11-31-83-72(78)79)90-63(101)52(21-10-30-82-71(76)77)91-66(104)57(36-44-38-85-50-18-6-4-16-47(44)50)95-65(103)56(35-42-14-2-1-3-15-42)89-61(99)41-87-60(98)40-88-62(100)49(75)34-43-25-27-46(97)28-26-43/h1-7,14-19,25-28,38-39,49,52-59,85-86,97H,8-13,20-24,29-37,40-41,74-75H2,(H,87,98)(H,88,100)(H,89,99)(H,90,101)(H,91,104)(H,92,105)(H,93,106)(H,94,102)(H,95,103)(H,108,109)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t49-,52-,53-,54-,55-,56-,57+,58+,59+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
20n/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)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50452248
PNG
(CHEMBL3037891)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:100.107,4.4,72.75,86.91,61.64,19.20,wD:50.53,104.110,8.8,37.40,(29.76,-16.76,;29.43,-15.26,;27.96,-14.79,;30.57,-14.22,;30.25,-12.72,;31.39,-11.68,;32.85,-12.15,;33.18,-13.66,;33.99,-11.12,;33.67,-9.61,;32.2,-9.14,;31.87,-7.64,;30.41,-7.17,;29.27,-8.2,;29.59,-9.71,;31.06,-10.18,;35.46,-11.59,;36.6,-10.55,;36.27,-9.05,;38.07,-11.02,;39.21,-9.99,;40.67,-10.46,;41.15,-11.92,;42.69,-11.92,;43.16,-10.45,;44.57,-9.82,;44.72,-8.29,;43.48,-7.39,;42.07,-8.02,;41.92,-9.55,;38.39,-12.53,;37.25,-13.56,;35.79,-13.09,;37.58,-15.07,;36.44,-16.1,;36.76,-17.61,;38.23,-18.08,;35.62,-18.64,;34.16,-18.17,;35.95,-20.15,;34.81,-21.18,;35.13,-22.69,;33.99,-23.72,;32.53,-23.25,;31.39,-24.29,;32.2,-21.75,;33.34,-20.71,;28.78,-12.25,;28.45,-10.74,;27.64,-13.28,;26.17,-12.81,;25.85,-11.31,;26.99,-10.27,;26.66,-8.77,;25.19,-8.3,;24.87,-6.79,;26.01,-5.76,;23.4,-6.32,;25.03,-13.85,;25.36,-15.35,;23.56,-13.38,;22.42,-14.41,;22.75,-15.92,;21.61,-16.95,;21.94,-18.46,;20.8,-19.49,;21.12,-21,;19.98,-22.03,;22.59,-21.47,;20.96,-13.94,;20.63,-12.44,;19.82,-14.98,;18.35,-14.51,;18.51,-12.97,;17.26,-12.07,;15.79,-12.55,;14.88,-11.31,;15.78,-10.06,;15.46,-8.56,;16.6,-7.52,;18.07,-7.99,;18.39,-9.5,;17.25,-10.53,;17.21,-15.54,;17.54,-17.05,;15.74,-15.07,;14.6,-16.1,;14.93,-17.61,;13.79,-18.64,;14.11,-20.15,;12.97,-21.18,;13.3,-22.69,;12.16,-23.72,;14.77,-23.16,;13.14,-15.63,;12,-16.67,;12.81,-14.13,;13.84,-12.98,;13.06,-11.65,;11.56,-11.98,;11.4,-13.51,;10.07,-14.28,;10.08,-15.82,;8.73,-13.52,;7.4,-14.29,;6.07,-13.53,;4.74,-14.3,;3.4,-13.54,;2.07,-14.31,;.73,-13.55,;7.41,-15.83,;8.75,-16.6,;6.08,-16.61,)|
Show InChI InChI=1S/C77H109N23O13/c1-44(2)36-59(97-69(107)60(38-45-16-4-3-5-17-45)98-70(108)61(39-47-41-89-53-20-8-6-18-50(47)53)92-64(102)43-91-65(103)52(79)37-46-27-29-49(101)30-28-46)68(106)94-55(23-12-32-86-75(80)81)66(104)93-56(24-13-33-87-76(82)83)67(105)99-62(40-48-42-90-54-21-9-7-19-51(48)54)71(109)95-57(25-14-34-88-77(84)85)73(111)100-35-15-26-63(100)72(110)96-58(74(112)113)22-10-11-31-78/h3-9,16-21,27-30,41-42,44,52,55-63,89-90,101H,10-15,22-26,31-40,43,78-79H2,1-2H3,(H,91,103)(H,92,102)(H,93,104)(H,94,106)(H,95,109)(H,96,110)(H,97,107)(H,98,108)(H,99,105)(H,112,113)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t52-,55-,56-,57-,58-,59-,60-,61+,62+,63+/m0/s1
PDB

UniProtKB/SwissProt

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20n/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)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50452250
PNG
(CHEMBL2373014)
Show SMILES NCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |wU:16.24,41.51,5.5,wD:9.8,63.78,27.40,52.62,77.90,96.102,(25.1,-5.27,;24.22,-6.52,;22.68,-6.38,;21.79,-7.64,;20.26,-7.5,;19.37,-8.75,;17.84,-8.61,;16.95,-9.87,;17.59,-11.27,;15.41,-9.73,;14.63,-8.41,;13.12,-8.74,;12.98,-10.28,;14.4,-10.89,;14.74,-12.39,;16.21,-12.85,;13.61,-13.43,;12.14,-12.98,;11.8,-11.47,;10.33,-11.02,;9.99,-9.51,;8.52,-9.06,;8.18,-7.56,;7.38,-10.1,;13.95,-14.94,;12.81,-15.98,;11.34,-15.52,;13.15,-17.48,;12.02,-18.53,;10.55,-18.07,;10.06,-16.61,;8.52,-16.63,;8.06,-18.1,;6.66,-18.75,;6.52,-20.28,;7.78,-21.17,;9.18,-20.53,;9.32,-18.99,;14.62,-17.94,;15.76,-16.9,;15.42,-15.39,;17.23,-17.35,;17.57,-18.85,;16.43,-19.9,;16.77,-21.4,;15.64,-22.45,;15.98,-23.95,;14.85,-24.99,;17.45,-24.41,;18.36,-16.31,;19.83,-16.76,;20.17,-18.27,;20.96,-15.72,;20.62,-14.22,;21.75,-13.17,;21.41,-11.67,;22.54,-10.63,;22.2,-9.12,;23.33,-8.08,;20.73,-8.67,;22.43,-16.18,;23.56,-15.13,;23.22,-13.63,;25.03,-15.59,;25.37,-17.09,;24.24,-18.14,;22.73,-17.83,;21.98,-19.18,;23.02,-20.31,;22.88,-21.84,;24.14,-22.73,;25.54,-22.09,;25.68,-20.55,;24.42,-19.67,;26.16,-14.54,;27.63,-15,;27.97,-16.5,;28.76,-13.96,;28.43,-12.45,;26.95,-12,;25.82,-13.04,;24.35,-12.58,;24.01,-11.08,;25.14,-10.04,;26.62,-10.49,;30.23,-14.41,;31.37,-13.37,;31.03,-11.87,;32.84,-13.83,;33.97,-12.78,;35.44,-13.24,;35.78,-14.74,;36.57,-12.19,;38.04,-12.65,;39.17,-11.6,;38.83,-10.1,;40.64,-12.06,;40.98,-13.56,;41.77,-11.02,;43.24,-11.47,;44.38,-10.43,;45.85,-10.89,;46.19,-12.39,;47.66,-12.85,;45.05,-13.43,;43.58,-12.98,;20.01,-10.15,;19.13,-11.41,;21.55,-10.29,)|
Show InChI InChI=1S/C73H101N23O13/c74-29-9-8-20-55(70(108)109)93-68(106)59-24-13-33-96(59)69(107)54(23-12-32-84-73(80)81)92-67(105)58(37-45-39-86-51-19-7-5-17-48(45)51)94-64(102)53(22-11-31-83-72(78)79)90-63(101)52(21-10-30-82-71(76)77)91-66(104)57(36-44-38-85-50-18-6-4-16-47(44)50)95-65(103)56(35-42-14-2-1-3-15-42)89-61(99)41-87-60(98)40-88-62(100)49(75)34-43-25-27-46(97)28-26-43/h1-7,14-19,25-28,38-39,49,52-59,85-86,97H,8-13,20-24,29-37,40-41,74-75H2,(H,87,98)(H,88,100)(H,89,99)(H,90,101)(H,91,104)(H,92,105)(H,93,106)(H,94,102)(H,95,103)(H,108,109)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t49-,52-,53-,54-,55-,56-,57+,58+,59+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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21n/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)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019487
PNG
(CHEMBL2373013 | NH2-Tyr-D-Trp-Gly-D-Trp-Leu-Arg-Ar...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:103.111,4.4,26.40,89.95,64.68,8.8,wD:75.79,53.57,107.114,40.44,(34.18,-21.17,;33.84,-19.67,;32.37,-19.21,;34.97,-18.62,;34.63,-17.12,;35.76,-16.08,;37.23,-16.53,;37.57,-18.04,;38.36,-15.49,;38.02,-13.99,;36.55,-13.53,;35.32,-14.45,;34.06,-13.56,;34.52,-12.09,;33.73,-10.77,;34.49,-9.42,;36.03,-9.4,;36.81,-10.73,;36.06,-12.07,;39.83,-15.95,;40.97,-14.9,;40.63,-13.4,;42.44,-15.36,;43.57,-14.31,;45.04,-14.77,;45.38,-16.27,;46.17,-13.73,;45.83,-12.22,;44.36,-11.77,;43.12,-12.69,;41.87,-11.8,;42.32,-10.33,;41.54,-9,;42.29,-7.66,;43.83,-7.64,;44.62,-8.96,;43.86,-10.31,;47.64,-14.18,;48.77,-13.14,;48.43,-11.64,;50.24,-13.59,;50.58,-15.1,;51.37,-12.55,;52.84,-13.01,;53.97,-11.96,;55.44,-12.42,;55.78,-13.92,;57.25,-14.38,;54.65,-14.97,;53.18,-14.51,;33.16,-16.66,;32.82,-15.16,;32.03,-17.71,;30.56,-17.25,;30.22,-15.75,;31.35,-14.7,;31.01,-13.2,;32.14,-12.16,;31.8,-10.66,;32.93,-9.61,;30.33,-10.2,;29.43,-18.3,;29.77,-19.8,;27.96,-17.84,;26.83,-18.88,;27.16,-20.39,;26.03,-21.43,;26.37,-22.93,;25.24,-23.98,;25.58,-25.48,;24.45,-26.53,;27.05,-25.94,;25.35,-18.43,;25.02,-16.93,;24.22,-19.47,;22.75,-19.02,;21.62,-20.06,;20.15,-19.6,;19.66,-18.14,;18.12,-18.16,;17.66,-19.63,;16.26,-20.28,;16.12,-21.81,;17.38,-22.7,;18.78,-22.06,;18.92,-20.52,;22.41,-17.51,;20.94,-17.06,;23.54,-16.47,;23.21,-14.97,;21.73,-14.51,;21.4,-13.01,;19.92,-12.55,;19.59,-11.05,;18.11,-10.59,;17.78,-9.09,;16.98,-11.64,;24.34,-13.92,;24,-12.42,;25.81,-14.38,;26.3,-15.84,;27.84,-15.82,;28.3,-14.35,;27.04,-13.46,;27.02,-11.92,;25.68,-11.16,;28.35,-11.13,;28.33,-9.59,;29.65,-8.8,;29.63,-7.26,;30.95,-6.48,;30.93,-4.94,;32.26,-4.15,;26.98,-8.84,;25.66,-9.62,;26.96,-7.3,)|
Show InChI InChI=1S/C79H110N24O13/c1-44(2)35-61(101-72(111)63(38-47-41-92-55-19-7-4-16-51(47)55)95-66(105)43-94-68(107)62(37-46-40-91-54-18-6-3-15-50(46)54)100-67(106)53(81)36-45-26-28-49(104)29-27-45)71(110)97-57(22-11-31-88-77(82)83)69(108)96-58(23-12-32-89-78(84)85)70(109)102-64(39-48-42-93-56-20-8-5-17-52(48)56)73(112)98-59(24-13-33-90-79(86)87)75(114)103-34-14-25-65(103)74(113)99-60(76(115)116)21-9-10-30-80/h3-8,15-20,26-29,40-42,44,53,57-65,91-93,104H,9-14,21-25,30-39,43,80-81H2,1-2H3,(H,94,107)(H,95,105)(H,96,108)(H,97,110)(H,98,112)(H,99,113)(H,100,106)(H,101,111)(H,102,109)(H,115,116)(H4,82,83,88)(H4,84,85,89)(H4,86,87,90)/t53-,57-,58-,59-,60-,61-,62+,63+,64+,65+/m0/s1
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
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UniChem
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24n/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)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50019487
PNG
(CHEMBL2373013 | NH2-Tyr-D-Trp-Gly-D-Trp-Leu-Arg-Ar...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:103.111,4.4,26.40,89.95,64.68,8.8,wD:75.79,53.57,107.114,40.44,(34.18,-21.17,;33.84,-19.67,;32.37,-19.21,;34.97,-18.62,;34.63,-17.12,;35.76,-16.08,;37.23,-16.53,;37.57,-18.04,;38.36,-15.49,;38.02,-13.99,;36.55,-13.53,;35.32,-14.45,;34.06,-13.56,;34.52,-12.09,;33.73,-10.77,;34.49,-9.42,;36.03,-9.4,;36.81,-10.73,;36.06,-12.07,;39.83,-15.95,;40.97,-14.9,;40.63,-13.4,;42.44,-15.36,;43.57,-14.31,;45.04,-14.77,;45.38,-16.27,;46.17,-13.73,;45.83,-12.22,;44.36,-11.77,;43.12,-12.69,;41.87,-11.8,;42.32,-10.33,;41.54,-9,;42.29,-7.66,;43.83,-7.64,;44.62,-8.96,;43.86,-10.31,;47.64,-14.18,;48.77,-13.14,;48.43,-11.64,;50.24,-13.59,;50.58,-15.1,;51.37,-12.55,;52.84,-13.01,;53.97,-11.96,;55.44,-12.42,;55.78,-13.92,;57.25,-14.38,;54.65,-14.97,;53.18,-14.51,;33.16,-16.66,;32.82,-15.16,;32.03,-17.71,;30.56,-17.25,;30.22,-15.75,;31.35,-14.7,;31.01,-13.2,;32.14,-12.16,;31.8,-10.66,;32.93,-9.61,;30.33,-10.2,;29.43,-18.3,;29.77,-19.8,;27.96,-17.84,;26.83,-18.88,;27.16,-20.39,;26.03,-21.43,;26.37,-22.93,;25.24,-23.98,;25.58,-25.48,;24.45,-26.53,;27.05,-25.94,;25.35,-18.43,;25.02,-16.93,;24.22,-19.47,;22.75,-19.02,;21.62,-20.06,;20.15,-19.6,;19.66,-18.14,;18.12,-18.16,;17.66,-19.63,;16.26,-20.28,;16.12,-21.81,;17.38,-22.7,;18.78,-22.06,;18.92,-20.52,;22.41,-17.51,;20.94,-17.06,;23.54,-16.47,;23.21,-14.97,;21.73,-14.51,;21.4,-13.01,;19.92,-12.55,;19.59,-11.05,;18.11,-10.59,;17.78,-9.09,;16.98,-11.64,;24.34,-13.92,;24,-12.42,;25.81,-14.38,;26.3,-15.84,;27.84,-15.82,;28.3,-14.35,;27.04,-13.46,;27.02,-11.92,;25.68,-11.16,;28.35,-11.13,;28.33,-9.59,;29.65,-8.8,;29.63,-7.26,;30.95,-6.48,;30.93,-4.94,;32.26,-4.15,;26.98,-8.84,;25.66,-9.62,;26.96,-7.3,)|
Show InChI InChI=1S/C79H110N24O13/c1-44(2)35-61(101-72(111)63(38-47-41-92-55-19-7-4-16-51(47)55)95-66(105)43-94-68(107)62(37-46-40-91-54-18-6-3-15-50(46)54)100-67(106)53(81)36-45-26-28-49(104)29-27-45)71(110)97-57(22-11-31-88-77(82)83)69(108)96-58(23-12-32-89-78(84)85)70(109)102-64(39-48-42-93-56-20-8-5-17-52(48)56)73(112)98-59(24-13-33-90-79(86)87)75(114)103-34-14-25-65(103)74(113)99-60(76(115)116)21-9-10-30-80/h3-8,15-20,26-29,40-42,44,53,57-65,91-93,104H,9-14,21-25,30-39,43,80-81H2,1-2H3,(H,94,107)(H,95,105)(H,96,108)(H,97,110)(H,98,112)(H,99,113)(H,100,106)(H,101,111)(H,102,109)(H,115,116)(H4,82,83,88)(H4,84,85,89)(H4,86,87,90)/t53-,57-,58-,59-,60-,61-,62+,63+,64+,65+/m0/s1
PDB

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52n/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)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019483
PNG
(CHEMBL2373008 | NH2-Tyr-Gly-D-Trp-Phe-Leu-Arg-Arg-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:4.4,79.83,54.56,8.8,97.102,wD:93.99,65.67,43.45,30.32,(24.46,-20.68,;24.12,-19.17,;22.65,-18.72,;25.25,-18.13,;24.92,-16.63,;26.05,-15.58,;27.52,-16.04,;27.86,-17.54,;28.65,-14.99,;28.31,-13.49,;26.84,-13.03,;25.6,-13.95,;24.35,-13.07,;24.8,-11.59,;24.02,-10.27,;24.77,-8.93,;26.31,-8.91,;27.1,-10.23,;26.34,-11.58,;30.12,-15.45,;31.25,-14.41,;30.91,-12.9,;32.72,-14.86,;33.85,-13.82,;35.32,-14.27,;35.66,-15.78,;36.45,-13.23,;37.92,-13.69,;39.06,-12.64,;38.72,-11.14,;40.53,-13.1,;40.87,-14.6,;41.66,-12.05,;43.13,-12.51,;44.26,-11.47,;45.73,-11.92,;46.07,-13.43,;47.54,-13.88,;44.94,-14.47,;43.47,-14.01,;23.44,-16.17,;23.11,-14.67,;22.31,-17.21,;20.84,-16.76,;20.5,-15.25,;21.64,-14.21,;21.3,-12.71,;22.43,-11.66,;22.09,-10.16,;23.22,-9.12,;20.62,-9.7,;19.71,-17.8,;20.05,-19.3,;18.24,-17.34,;17.11,-18.39,;17.45,-19.89,;16.32,-20.94,;16.66,-22.44,;15.53,-23.48,;15.87,-24.99,;14.73,-26.03,;17.34,-25.44,;15.64,-17.93,;15.3,-16.43,;14.51,-18.98,;13.04,-18.52,;11.91,-19.56,;10.44,-19.11,;9.94,-17.65,;8.4,-17.67,;7.94,-19.14,;6.55,-19.78,;6.4,-21.32,;7.66,-22.21,;9.06,-21.56,;9.2,-20.03,;12.7,-17.02,;11.23,-16.56,;13.83,-15.97,;13.49,-14.47,;12.02,-14.01,;11.68,-12.51,;10.21,-12.05,;9.87,-10.55,;8.4,-10.09,;8.06,-8.59,;7.27,-11.14,;14.62,-13.43,;16.09,-13.88,;14.28,-11.92,;12.87,-11.31,;13.01,-9.78,;14.51,-9.44,;15.3,-10.77,;16.83,-10.91,;17.48,-12.31,;17.72,-9.65,;19.25,-9.79,;20.14,-8.53,;21.68,-8.68,;22.57,-7.42,;24.1,-7.56,;24.99,-6.3,;19.9,-11.19,;19.01,-12.45,;21.43,-11.33,)|
Show InChI InChI=1S/C70H103N23O13/c1-39(2)31-53(91-63(101)54(33-41-35-82-47-15-5-3-13-44(41)47)86-58(96)38-84-57(95)37-85-59(97)46(72)32-40-22-24-43(94)25-23-40)62(100)88-49(18-9-27-79-68(73)74)60(98)87-50(19-10-28-80-69(75)76)61(99)92-55(34-42-36-83-48-16-6-4-14-45(42)48)64(102)89-51(20-11-29-81-70(77)78)66(104)93-30-12-21-56(93)65(103)90-52(67(105)106)17-7-8-26-71/h3-6,13-16,22-25,35-36,39,46,49-56,82-83,94H,7-12,17-21,26-34,37-38,71-72H2,1-2H3,(H,84,95)(H,85,97)(H,86,96)(H,87,98)(H,88,100)(H,89,102)(H,90,103)(H,91,101)(H,92,99)(H,105,106)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t46-,49-,50-,51-,52-,53-,54+,55+,56+/m0/s1
PDB

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73n/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)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50452249
PNG
(CHEMBL2373012)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:72.75,4.4,86.91,61.64,104.110,wD:100.107,23.36,50.53,8.16,37.40,(25.09,-20.82,;25.59,-19.36,;24.58,-18.2,;27.1,-19.07,;27.61,-17.61,;29.12,-17.32,;30.13,-18.49,;29.62,-19.94,;31.64,-18.2,;32.14,-16.74,;31.14,-15.58,;31.64,-14.12,;30.63,-12.96,;29.12,-13.25,;28.62,-14.7,;29.62,-15.87,;32.65,-19.36,;34.16,-19.07,;34.66,-17.61,;35.17,-20.23,;36.68,-19.94,;37.69,-21.11,;37.18,-22.56,;39.2,-20.82,;40.21,-21.98,;39.7,-23.44,;38.23,-23.88,;38.2,-25.42,;39.66,-25.93,;40.26,-27.35,;41.78,-27.54,;42.71,-26.31,;42.11,-24.89,;40.59,-24.7,;39.7,-19.36,;38.7,-18.2,;37.18,-18.49,;39.2,-16.74,;40.71,-16.45,;38.19,-15.58,;38.7,-14.12,;37.69,-12.96,;38.19,-11.5,;39.7,-11.21,;40.21,-9.76,;40.71,-12.38,;40.21,-13.83,;26.6,-16.45,;27.1,-15,;25.09,-16.74,;24.08,-15.58,;24.58,-14.12,;26.09,-13.83,;26.6,-12.38,;28.11,-12.09,;28.62,-10.63,;30.13,-10.34,;27.61,-9.47,;22.57,-15.87,;22.06,-17.32,;21.56,-14.7,;20.05,-15,;19.54,-16.45,;18.03,-16.74,;17.53,-18.2,;16.01,-18.49,;15.51,-19.94,;14,-20.23,;16.52,-21.11,;19.04,-13.83,;19.54,-12.38,;17.53,-14.12,;16.52,-12.96,;17.02,-11.5,;16.01,-10.34,;14.48,-10.47,;13.88,-9.05,;15.04,-8.04,;15.07,-6.5,;16.42,-5.76,;17.74,-6.56,;17.71,-8.1,;16.36,-8.84,;15,-13.25,;14.5,-14.7,;14,-12.09,;12.48,-12.38,;11.98,-13.83,;10.47,-14.12,;9.96,-15.58,;8.45,-15.87,;7.95,-17.32,;6.44,-17.61,;8.96,-18.49,;11.48,-11.21,;11.98,-9.76,;9.96,-11.5,;9.31,-12.9,;7.78,-12.71,;7.49,-11.19,;8.84,-10.45,;9.03,-8.92,;10.45,-8.32,;7.8,-7.99,;7.99,-6.47,;6.76,-5.54,;6.95,-4.01,;5.73,-3.08,;5.92,-1.55,;4.69,-.62,;9.41,-5.87,;10.64,-6.8,;9.6,-4.34,)|
Show InChI InChI=1S/C77H109N23O13/c1-44(2)36-59(98-70(108)60(38-45-16-4-3-5-17-45)92-64(102)43-91-66(104)61(39-47-41-89-53-20-8-6-18-50(47)53)97-65(103)52(79)37-46-27-29-49(101)30-28-46)69(107)94-55(23-12-32-86-75(80)81)67(105)93-56(24-13-33-87-76(82)83)68(106)99-62(40-48-42-90-54-21-9-7-19-51(48)54)71(109)95-57(25-14-34-88-77(84)85)73(111)100-35-15-26-63(100)72(110)96-58(74(112)113)22-10-11-31-78/h3-9,16-21,27-30,41-42,44,52,55-63,89-90,101H,10-15,22-26,31-40,43,78-79H2,1-2H3,(H,91,104)(H,92,102)(H,93,105)(H,94,107)(H,95,109)(H,96,110)(H,97,103)(H,98,108)(H,99,106)(H,112,113)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t52-,55-,56-,57-,58-,59-,60-,61+,62+,63+/m0/s1
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103n/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)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50019487
PNG
(CHEMBL2373013 | NH2-Tyr-D-Trp-Gly-D-Trp-Leu-Arg-Ar...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:103.111,4.4,26.40,89.95,64.68,8.8,wD:75.79,53.57,107.114,40.44,(34.18,-21.17,;33.84,-19.67,;32.37,-19.21,;34.97,-18.62,;34.63,-17.12,;35.76,-16.08,;37.23,-16.53,;37.57,-18.04,;38.36,-15.49,;38.02,-13.99,;36.55,-13.53,;35.32,-14.45,;34.06,-13.56,;34.52,-12.09,;33.73,-10.77,;34.49,-9.42,;36.03,-9.4,;36.81,-10.73,;36.06,-12.07,;39.83,-15.95,;40.97,-14.9,;40.63,-13.4,;42.44,-15.36,;43.57,-14.31,;45.04,-14.77,;45.38,-16.27,;46.17,-13.73,;45.83,-12.22,;44.36,-11.77,;43.12,-12.69,;41.87,-11.8,;42.32,-10.33,;41.54,-9,;42.29,-7.66,;43.83,-7.64,;44.62,-8.96,;43.86,-10.31,;47.64,-14.18,;48.77,-13.14,;48.43,-11.64,;50.24,-13.59,;50.58,-15.1,;51.37,-12.55,;52.84,-13.01,;53.97,-11.96,;55.44,-12.42,;55.78,-13.92,;57.25,-14.38,;54.65,-14.97,;53.18,-14.51,;33.16,-16.66,;32.82,-15.16,;32.03,-17.71,;30.56,-17.25,;30.22,-15.75,;31.35,-14.7,;31.01,-13.2,;32.14,-12.16,;31.8,-10.66,;32.93,-9.61,;30.33,-10.2,;29.43,-18.3,;29.77,-19.8,;27.96,-17.84,;26.83,-18.88,;27.16,-20.39,;26.03,-21.43,;26.37,-22.93,;25.24,-23.98,;25.58,-25.48,;24.45,-26.53,;27.05,-25.94,;25.35,-18.43,;25.02,-16.93,;24.22,-19.47,;22.75,-19.02,;21.62,-20.06,;20.15,-19.6,;19.66,-18.14,;18.12,-18.16,;17.66,-19.63,;16.26,-20.28,;16.12,-21.81,;17.38,-22.7,;18.78,-22.06,;18.92,-20.52,;22.41,-17.51,;20.94,-17.06,;23.54,-16.47,;23.21,-14.97,;21.73,-14.51,;21.4,-13.01,;19.92,-12.55,;19.59,-11.05,;18.11,-10.59,;17.78,-9.09,;16.98,-11.64,;24.34,-13.92,;24,-12.42,;25.81,-14.38,;26.3,-15.84,;27.84,-15.82,;28.3,-14.35,;27.04,-13.46,;27.02,-11.92,;25.68,-11.16,;28.35,-11.13,;28.33,-9.59,;29.65,-8.8,;29.63,-7.26,;30.95,-6.48,;30.93,-4.94,;32.26,-4.15,;26.98,-8.84,;25.66,-9.62,;26.96,-7.3,)|
Show InChI InChI=1S/C79H110N24O13/c1-44(2)35-61(101-72(111)63(38-47-41-92-55-19-7-4-16-51(47)55)95-66(105)43-94-68(107)62(37-46-40-91-54-18-6-3-15-50(46)54)100-67(106)53(81)36-45-26-28-49(104)29-27-45)71(110)97-57(22-11-31-88-77(82)83)69(108)96-58(23-12-32-89-78(84)85)70(109)102-64(39-48-42-93-56-20-8-5-17-52(48)56)73(112)98-59(24-13-33-90-79(86)87)75(114)103-34-14-25-65(103)74(113)99-60(76(115)116)21-9-10-30-80/h3-8,15-20,26-29,40-42,44,53,57-65,91-93,104H,9-14,21-25,30-39,43,80-81H2,1-2H3,(H,94,107)(H,95,105)(H,96,108)(H,97,110)(H,98,112)(H,99,113)(H,100,106)(H,101,111)(H,102,109)(H,115,116)(H4,82,83,88)(H4,84,85,89)(H4,86,87,90)/t53-,57-,58-,59-,60-,61-,62+,63+,64+,65+/m0/s1
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134n/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)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50019483
PNG
(CHEMBL2373008 | NH2-Tyr-Gly-D-Trp-Phe-Leu-Arg-Arg-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:4.4,79.83,54.56,8.8,97.102,wD:93.99,65.67,43.45,30.32,(24.46,-20.68,;24.12,-19.17,;22.65,-18.72,;25.25,-18.13,;24.92,-16.63,;26.05,-15.58,;27.52,-16.04,;27.86,-17.54,;28.65,-14.99,;28.31,-13.49,;26.84,-13.03,;25.6,-13.95,;24.35,-13.07,;24.8,-11.59,;24.02,-10.27,;24.77,-8.93,;26.31,-8.91,;27.1,-10.23,;26.34,-11.58,;30.12,-15.45,;31.25,-14.41,;30.91,-12.9,;32.72,-14.86,;33.85,-13.82,;35.32,-14.27,;35.66,-15.78,;36.45,-13.23,;37.92,-13.69,;39.06,-12.64,;38.72,-11.14,;40.53,-13.1,;40.87,-14.6,;41.66,-12.05,;43.13,-12.51,;44.26,-11.47,;45.73,-11.92,;46.07,-13.43,;47.54,-13.88,;44.94,-14.47,;43.47,-14.01,;23.44,-16.17,;23.11,-14.67,;22.31,-17.21,;20.84,-16.76,;20.5,-15.25,;21.64,-14.21,;21.3,-12.71,;22.43,-11.66,;22.09,-10.16,;23.22,-9.12,;20.62,-9.7,;19.71,-17.8,;20.05,-19.3,;18.24,-17.34,;17.11,-18.39,;17.45,-19.89,;16.32,-20.94,;16.66,-22.44,;15.53,-23.48,;15.87,-24.99,;14.73,-26.03,;17.34,-25.44,;15.64,-17.93,;15.3,-16.43,;14.51,-18.98,;13.04,-18.52,;11.91,-19.56,;10.44,-19.11,;9.94,-17.65,;8.4,-17.67,;7.94,-19.14,;6.55,-19.78,;6.4,-21.32,;7.66,-22.21,;9.06,-21.56,;9.2,-20.03,;12.7,-17.02,;11.23,-16.56,;13.83,-15.97,;13.49,-14.47,;12.02,-14.01,;11.68,-12.51,;10.21,-12.05,;9.87,-10.55,;8.4,-10.09,;8.06,-8.59,;7.27,-11.14,;14.62,-13.43,;16.09,-13.88,;14.28,-11.92,;12.87,-11.31,;13.01,-9.78,;14.51,-9.44,;15.3,-10.77,;16.83,-10.91,;17.48,-12.31,;17.72,-9.65,;19.25,-9.79,;20.14,-8.53,;21.68,-8.68,;22.57,-7.42,;24.1,-7.56,;24.99,-6.3,;19.9,-11.19,;19.01,-12.45,;21.43,-11.33,)|
Show InChI InChI=1S/C70H103N23O13/c1-39(2)31-53(91-63(101)54(33-41-35-82-47-15-5-3-13-44(41)47)86-58(96)38-84-57(95)37-85-59(97)46(72)32-40-22-24-43(94)25-23-40)62(100)88-49(18-9-27-79-68(73)74)60(98)87-50(19-10-28-80-69(75)76)61(99)92-55(34-42-36-83-48-16-6-4-14-45(42)48)64(102)89-51(20-11-29-81-70(77)78)66(104)93-30-12-21-56(93)65(103)90-52(67(105)106)17-7-8-26-71/h3-6,13-16,22-25,35-36,39,46,49-56,82-83,94H,7-12,17-21,26-34,37-38,71-72H2,1-2H3,(H,84,95)(H,85,97)(H,86,96)(H,87,98)(H,88,100)(H,89,102)(H,90,103)(H,91,101)(H,92,99)(H,105,106)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t46-,49-,50-,51-,52-,53-,54+,55+,56+/m0/s1
PDB

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142n/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)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50452249
PNG
(CHEMBL2373012)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:72.75,4.4,86.91,61.64,104.110,wD:100.107,23.36,50.53,8.16,37.40,(25.09,-20.82,;25.59,-19.36,;24.58,-18.2,;27.1,-19.07,;27.61,-17.61,;29.12,-17.32,;30.13,-18.49,;29.62,-19.94,;31.64,-18.2,;32.14,-16.74,;31.14,-15.58,;31.64,-14.12,;30.63,-12.96,;29.12,-13.25,;28.62,-14.7,;29.62,-15.87,;32.65,-19.36,;34.16,-19.07,;34.66,-17.61,;35.17,-20.23,;36.68,-19.94,;37.69,-21.11,;37.18,-22.56,;39.2,-20.82,;40.21,-21.98,;39.7,-23.44,;38.23,-23.88,;38.2,-25.42,;39.66,-25.93,;40.26,-27.35,;41.78,-27.54,;42.71,-26.31,;42.11,-24.89,;40.59,-24.7,;39.7,-19.36,;38.7,-18.2,;37.18,-18.49,;39.2,-16.74,;40.71,-16.45,;38.19,-15.58,;38.7,-14.12,;37.69,-12.96,;38.19,-11.5,;39.7,-11.21,;40.21,-9.76,;40.71,-12.38,;40.21,-13.83,;26.6,-16.45,;27.1,-15,;25.09,-16.74,;24.08,-15.58,;24.58,-14.12,;26.09,-13.83,;26.6,-12.38,;28.11,-12.09,;28.62,-10.63,;30.13,-10.34,;27.61,-9.47,;22.57,-15.87,;22.06,-17.32,;21.56,-14.7,;20.05,-15,;19.54,-16.45,;18.03,-16.74,;17.53,-18.2,;16.01,-18.49,;15.51,-19.94,;14,-20.23,;16.52,-21.11,;19.04,-13.83,;19.54,-12.38,;17.53,-14.12,;16.52,-12.96,;17.02,-11.5,;16.01,-10.34,;14.48,-10.47,;13.88,-9.05,;15.04,-8.04,;15.07,-6.5,;16.42,-5.76,;17.74,-6.56,;17.71,-8.1,;16.36,-8.84,;15,-13.25,;14.5,-14.7,;14,-12.09,;12.48,-12.38,;11.98,-13.83,;10.47,-14.12,;9.96,-15.58,;8.45,-15.87,;7.95,-17.32,;6.44,-17.61,;8.96,-18.49,;11.48,-11.21,;11.98,-9.76,;9.96,-11.5,;9.31,-12.9,;7.78,-12.71,;7.49,-11.19,;8.84,-10.45,;9.03,-8.92,;10.45,-8.32,;7.8,-7.99,;7.99,-6.47,;6.76,-5.54,;6.95,-4.01,;5.73,-3.08,;5.92,-1.55,;4.69,-.62,;9.41,-5.87,;10.64,-6.8,;9.6,-4.34,)|
Show InChI InChI=1S/C77H109N23O13/c1-44(2)36-59(98-70(108)60(38-45-16-4-3-5-17-45)92-64(102)43-91-66(104)61(39-47-41-89-53-20-8-6-18-50(47)53)97-65(103)52(79)37-46-27-29-49(101)30-28-46)69(107)94-55(23-12-32-86-75(80)81)67(105)93-56(24-13-33-87-76(82)83)68(106)99-62(40-48-42-90-54-21-9-7-19-51(48)54)71(109)95-57(25-14-34-88-77(84)85)73(111)100-35-15-26-63(100)72(110)96-58(74(112)113)22-10-11-31-78/h3-9,16-21,27-30,41-42,44,52,55-63,89-90,101H,10-15,22-26,31-40,43,78-79H2,1-2H3,(H,91,104)(H,92,102)(H,93,105)(H,94,107)(H,95,109)(H,96,110)(H,97,103)(H,98,108)(H,99,106)(H,112,113)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t52-,55-,56-,57-,58-,59-,60-,61+,62+,63+/m0/s1
PDB

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153n/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)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50452250
PNG
(CHEMBL2373014)
Show SMILES NCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |wU:16.24,41.51,5.5,wD:9.8,63.78,27.40,52.62,77.90,96.102,(25.1,-5.27,;24.22,-6.52,;22.68,-6.38,;21.79,-7.64,;20.26,-7.5,;19.37,-8.75,;17.84,-8.61,;16.95,-9.87,;17.59,-11.27,;15.41,-9.73,;14.63,-8.41,;13.12,-8.74,;12.98,-10.28,;14.4,-10.89,;14.74,-12.39,;16.21,-12.85,;13.61,-13.43,;12.14,-12.98,;11.8,-11.47,;10.33,-11.02,;9.99,-9.51,;8.52,-9.06,;8.18,-7.56,;7.38,-10.1,;13.95,-14.94,;12.81,-15.98,;11.34,-15.52,;13.15,-17.48,;12.02,-18.53,;10.55,-18.07,;10.06,-16.61,;8.52,-16.63,;8.06,-18.1,;6.66,-18.75,;6.52,-20.28,;7.78,-21.17,;9.18,-20.53,;9.32,-18.99,;14.62,-17.94,;15.76,-16.9,;15.42,-15.39,;17.23,-17.35,;17.57,-18.85,;16.43,-19.9,;16.77,-21.4,;15.64,-22.45,;15.98,-23.95,;14.85,-24.99,;17.45,-24.41,;18.36,-16.31,;19.83,-16.76,;20.17,-18.27,;20.96,-15.72,;20.62,-14.22,;21.75,-13.17,;21.41,-11.67,;22.54,-10.63,;22.2,-9.12,;23.33,-8.08,;20.73,-8.67,;22.43,-16.18,;23.56,-15.13,;23.22,-13.63,;25.03,-15.59,;25.37,-17.09,;24.24,-18.14,;22.73,-17.83,;21.98,-19.18,;23.02,-20.31,;22.88,-21.84,;24.14,-22.73,;25.54,-22.09,;25.68,-20.55,;24.42,-19.67,;26.16,-14.54,;27.63,-15,;27.97,-16.5,;28.76,-13.96,;28.43,-12.45,;26.95,-12,;25.82,-13.04,;24.35,-12.58,;24.01,-11.08,;25.14,-10.04,;26.62,-10.49,;30.23,-14.41,;31.37,-13.37,;31.03,-11.87,;32.84,-13.83,;33.97,-12.78,;35.44,-13.24,;35.78,-14.74,;36.57,-12.19,;38.04,-12.65,;39.17,-11.6,;38.83,-10.1,;40.64,-12.06,;40.98,-13.56,;41.77,-11.02,;43.24,-11.47,;44.38,-10.43,;45.85,-10.89,;46.19,-12.39,;47.66,-12.85,;45.05,-13.43,;43.58,-12.98,;20.01,-10.15,;19.13,-11.41,;21.55,-10.29,)|
Show InChI InChI=1S/C73H101N23O13/c74-29-9-8-20-55(70(108)109)93-68(106)59-24-13-33-96(59)69(107)54(23-12-32-84-73(80)81)92-67(105)58(37-45-39-86-51-19-7-5-17-48(45)51)94-64(102)53(22-11-31-83-72(78)79)90-63(101)52(21-10-30-82-71(76)77)91-66(104)57(36-44-38-85-50-18-6-4-16-47(44)50)95-65(103)56(35-42-14-2-1-3-15-42)89-61(99)41-87-60(98)40-88-62(100)49(75)34-43-25-27-46(97)28-26-43/h1-7,14-19,25-28,38-39,49,52-59,85-86,97H,8-13,20-24,29-37,40-41,74-75H2,(H,87,98)(H,88,100)(H,89,99)(H,90,101)(H,91,104)(H,92,105)(H,93,106)(H,94,102)(H,95,103)(H,108,109)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t49-,52-,53-,54-,55-,56-,57+,58+,59+/m0/s1
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303n/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)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50452248
PNG
(CHEMBL3037891)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:100.107,4.4,72.75,86.91,61.64,19.20,wD:50.53,104.110,8.8,37.40,(29.76,-16.76,;29.43,-15.26,;27.96,-14.79,;30.57,-14.22,;30.25,-12.72,;31.39,-11.68,;32.85,-12.15,;33.18,-13.66,;33.99,-11.12,;33.67,-9.61,;32.2,-9.14,;31.87,-7.64,;30.41,-7.17,;29.27,-8.2,;29.59,-9.71,;31.06,-10.18,;35.46,-11.59,;36.6,-10.55,;36.27,-9.05,;38.07,-11.02,;39.21,-9.99,;40.67,-10.46,;41.15,-11.92,;42.69,-11.92,;43.16,-10.45,;44.57,-9.82,;44.72,-8.29,;43.48,-7.39,;42.07,-8.02,;41.92,-9.55,;38.39,-12.53,;37.25,-13.56,;35.79,-13.09,;37.58,-15.07,;36.44,-16.1,;36.76,-17.61,;38.23,-18.08,;35.62,-18.64,;34.16,-18.17,;35.95,-20.15,;34.81,-21.18,;35.13,-22.69,;33.99,-23.72,;32.53,-23.25,;31.39,-24.29,;32.2,-21.75,;33.34,-20.71,;28.78,-12.25,;28.45,-10.74,;27.64,-13.28,;26.17,-12.81,;25.85,-11.31,;26.99,-10.27,;26.66,-8.77,;25.19,-8.3,;24.87,-6.79,;26.01,-5.76,;23.4,-6.32,;25.03,-13.85,;25.36,-15.35,;23.56,-13.38,;22.42,-14.41,;22.75,-15.92,;21.61,-16.95,;21.94,-18.46,;20.8,-19.49,;21.12,-21,;19.98,-22.03,;22.59,-21.47,;20.96,-13.94,;20.63,-12.44,;19.82,-14.98,;18.35,-14.51,;18.51,-12.97,;17.26,-12.07,;15.79,-12.55,;14.88,-11.31,;15.78,-10.06,;15.46,-8.56,;16.6,-7.52,;18.07,-7.99,;18.39,-9.5,;17.25,-10.53,;17.21,-15.54,;17.54,-17.05,;15.74,-15.07,;14.6,-16.1,;14.93,-17.61,;13.79,-18.64,;14.11,-20.15,;12.97,-21.18,;13.3,-22.69,;12.16,-23.72,;14.77,-23.16,;13.14,-15.63,;12,-16.67,;12.81,-14.13,;13.84,-12.98,;13.06,-11.65,;11.56,-11.98,;11.4,-13.51,;10.07,-14.28,;10.08,-15.82,;8.73,-13.52,;7.4,-14.29,;6.07,-13.53,;4.74,-14.3,;3.4,-13.54,;2.07,-14.31,;.73,-13.55,;7.41,-15.83,;8.75,-16.6,;6.08,-16.61,)|
Show InChI InChI=1S/C77H109N23O13/c1-44(2)36-59(97-69(107)60(38-45-16-4-3-5-17-45)98-70(108)61(39-47-41-89-53-20-8-6-18-50(47)53)92-64(102)43-91-65(103)52(79)37-46-27-29-49(101)30-28-46)68(106)94-55(23-12-32-86-75(80)81)66(104)93-56(24-13-33-87-76(82)83)67(105)99-62(40-48-42-90-54-21-9-7-19-51(48)54)71(109)95-57(25-14-34-88-77(84)85)73(111)100-35-15-26-63(100)72(110)96-58(74(112)113)22-10-11-31-78/h3-9,16-21,27-30,41-42,44,52,55-63,89-90,101H,10-15,22-26,31-40,43,78-79H2,1-2H3,(H,91,103)(H,92,102)(H,93,104)(H,94,106)(H,95,109)(H,96,110)(H,97,107)(H,98,108)(H,99,105)(H,112,113)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t52-,55-,56-,57-,58-,59-,60-,61+,62+,63+/m0/s1
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327n/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)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50452249
PNG
(CHEMBL2373012)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:72.75,4.4,86.91,61.64,104.110,wD:100.107,23.36,50.53,8.16,37.40,(25.09,-20.82,;25.59,-19.36,;24.58,-18.2,;27.1,-19.07,;27.61,-17.61,;29.12,-17.32,;30.13,-18.49,;29.62,-19.94,;31.64,-18.2,;32.14,-16.74,;31.14,-15.58,;31.64,-14.12,;30.63,-12.96,;29.12,-13.25,;28.62,-14.7,;29.62,-15.87,;32.65,-19.36,;34.16,-19.07,;34.66,-17.61,;35.17,-20.23,;36.68,-19.94,;37.69,-21.11,;37.18,-22.56,;39.2,-20.82,;40.21,-21.98,;39.7,-23.44,;38.23,-23.88,;38.2,-25.42,;39.66,-25.93,;40.26,-27.35,;41.78,-27.54,;42.71,-26.31,;42.11,-24.89,;40.59,-24.7,;39.7,-19.36,;38.7,-18.2,;37.18,-18.49,;39.2,-16.74,;40.71,-16.45,;38.19,-15.58,;38.7,-14.12,;37.69,-12.96,;38.19,-11.5,;39.7,-11.21,;40.21,-9.76,;40.71,-12.38,;40.21,-13.83,;26.6,-16.45,;27.1,-15,;25.09,-16.74,;24.08,-15.58,;24.58,-14.12,;26.09,-13.83,;26.6,-12.38,;28.11,-12.09,;28.62,-10.63,;30.13,-10.34,;27.61,-9.47,;22.57,-15.87,;22.06,-17.32,;21.56,-14.7,;20.05,-15,;19.54,-16.45,;18.03,-16.74,;17.53,-18.2,;16.01,-18.49,;15.51,-19.94,;14,-20.23,;16.52,-21.11,;19.04,-13.83,;19.54,-12.38,;17.53,-14.12,;16.52,-12.96,;17.02,-11.5,;16.01,-10.34,;14.48,-10.47,;13.88,-9.05,;15.04,-8.04,;15.07,-6.5,;16.42,-5.76,;17.74,-6.56,;17.71,-8.1,;16.36,-8.84,;15,-13.25,;14.5,-14.7,;14,-12.09,;12.48,-12.38,;11.98,-13.83,;10.47,-14.12,;9.96,-15.58,;8.45,-15.87,;7.95,-17.32,;6.44,-17.61,;8.96,-18.49,;11.48,-11.21,;11.98,-9.76,;9.96,-11.5,;9.31,-12.9,;7.78,-12.71,;7.49,-11.19,;8.84,-10.45,;9.03,-8.92,;10.45,-8.32,;7.8,-7.99,;7.99,-6.47,;6.76,-5.54,;6.95,-4.01,;5.73,-3.08,;5.92,-1.55,;4.69,-.62,;9.41,-5.87,;10.64,-6.8,;9.6,-4.34,)|
Show InChI InChI=1S/C77H109N23O13/c1-44(2)36-59(98-70(108)60(38-45-16-4-3-5-17-45)92-64(102)43-91-66(104)61(39-47-41-89-53-20-8-6-18-50(47)53)97-65(103)52(79)37-46-27-29-49(101)30-28-46)69(107)94-55(23-12-32-86-75(80)81)67(105)93-56(24-13-33-87-76(82)83)68(106)99-62(40-48-42-90-54-21-9-7-19-51(48)54)71(109)95-57(25-14-34-88-77(84)85)73(111)100-35-15-26-63(100)72(110)96-58(74(112)113)22-10-11-31-78/h3-9,16-21,27-30,41-42,44,52,55-63,89-90,101H,10-15,22-26,31-40,43,78-79H2,1-2H3,(H,91,104)(H,92,102)(H,93,105)(H,94,107)(H,95,109)(H,96,110)(H,97,103)(H,98,108)(H,99,106)(H,112,113)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t52-,55-,56-,57-,58-,59-,60-,61+,62+,63+/m0/s1
PDB

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561n/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)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50019483
PNG
(CHEMBL2373008 | NH2-Tyr-Gly-D-Trp-Phe-Leu-Arg-Arg-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:4.4,79.83,54.56,8.8,97.102,wD:93.99,65.67,43.45,30.32,(24.46,-20.68,;24.12,-19.17,;22.65,-18.72,;25.25,-18.13,;24.92,-16.63,;26.05,-15.58,;27.52,-16.04,;27.86,-17.54,;28.65,-14.99,;28.31,-13.49,;26.84,-13.03,;25.6,-13.95,;24.35,-13.07,;24.8,-11.59,;24.02,-10.27,;24.77,-8.93,;26.31,-8.91,;27.1,-10.23,;26.34,-11.58,;30.12,-15.45,;31.25,-14.41,;30.91,-12.9,;32.72,-14.86,;33.85,-13.82,;35.32,-14.27,;35.66,-15.78,;36.45,-13.23,;37.92,-13.69,;39.06,-12.64,;38.72,-11.14,;40.53,-13.1,;40.87,-14.6,;41.66,-12.05,;43.13,-12.51,;44.26,-11.47,;45.73,-11.92,;46.07,-13.43,;47.54,-13.88,;44.94,-14.47,;43.47,-14.01,;23.44,-16.17,;23.11,-14.67,;22.31,-17.21,;20.84,-16.76,;20.5,-15.25,;21.64,-14.21,;21.3,-12.71,;22.43,-11.66,;22.09,-10.16,;23.22,-9.12,;20.62,-9.7,;19.71,-17.8,;20.05,-19.3,;18.24,-17.34,;17.11,-18.39,;17.45,-19.89,;16.32,-20.94,;16.66,-22.44,;15.53,-23.48,;15.87,-24.99,;14.73,-26.03,;17.34,-25.44,;15.64,-17.93,;15.3,-16.43,;14.51,-18.98,;13.04,-18.52,;11.91,-19.56,;10.44,-19.11,;9.94,-17.65,;8.4,-17.67,;7.94,-19.14,;6.55,-19.78,;6.4,-21.32,;7.66,-22.21,;9.06,-21.56,;9.2,-20.03,;12.7,-17.02,;11.23,-16.56,;13.83,-15.97,;13.49,-14.47,;12.02,-14.01,;11.68,-12.51,;10.21,-12.05,;9.87,-10.55,;8.4,-10.09,;8.06,-8.59,;7.27,-11.14,;14.62,-13.43,;16.09,-13.88,;14.28,-11.92,;12.87,-11.31,;13.01,-9.78,;14.51,-9.44,;15.3,-10.77,;16.83,-10.91,;17.48,-12.31,;17.72,-9.65,;19.25,-9.79,;20.14,-8.53,;21.68,-8.68,;22.57,-7.42,;24.1,-7.56,;24.99,-6.3,;19.9,-11.19,;19.01,-12.45,;21.43,-11.33,)|
Show InChI InChI=1S/C70H103N23O13/c1-39(2)31-53(91-63(101)54(33-41-35-82-47-15-5-3-13-44(41)47)86-58(96)38-84-57(95)37-85-59(97)46(72)32-40-22-24-43(94)25-23-40)62(100)88-49(18-9-27-79-68(73)74)60(98)87-50(19-10-28-80-69(75)76)61(99)92-55(34-42-36-83-48-16-6-4-14-45(42)48)64(102)89-51(20-11-29-81-70(77)78)66(104)93-30-12-21-56(93)65(103)90-52(67(105)106)17-7-8-26-71/h3-6,13-16,22-25,35-36,39,46,49-56,82-83,94H,7-12,17-21,26-34,37-38,71-72H2,1-2H3,(H,84,95)(H,85,97)(H,86,96)(H,87,98)(H,88,100)(H,89,102)(H,90,103)(H,91,101)(H,92,99)(H,105,106)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t46-,49-,50-,51-,52-,53-,54+,55+,56+/m0/s1
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631n/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)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50452248
PNG
(CHEMBL3037891)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:100.107,4.4,72.75,86.91,61.64,19.20,wD:50.53,104.110,8.8,37.40,(29.76,-16.76,;29.43,-15.26,;27.96,-14.79,;30.57,-14.22,;30.25,-12.72,;31.39,-11.68,;32.85,-12.15,;33.18,-13.66,;33.99,-11.12,;33.67,-9.61,;32.2,-9.14,;31.87,-7.64,;30.41,-7.17,;29.27,-8.2,;29.59,-9.71,;31.06,-10.18,;35.46,-11.59,;36.6,-10.55,;36.27,-9.05,;38.07,-11.02,;39.21,-9.99,;40.67,-10.46,;41.15,-11.92,;42.69,-11.92,;43.16,-10.45,;44.57,-9.82,;44.72,-8.29,;43.48,-7.39,;42.07,-8.02,;41.92,-9.55,;38.39,-12.53,;37.25,-13.56,;35.79,-13.09,;37.58,-15.07,;36.44,-16.1,;36.76,-17.61,;38.23,-18.08,;35.62,-18.64,;34.16,-18.17,;35.95,-20.15,;34.81,-21.18,;35.13,-22.69,;33.99,-23.72,;32.53,-23.25,;31.39,-24.29,;32.2,-21.75,;33.34,-20.71,;28.78,-12.25,;28.45,-10.74,;27.64,-13.28,;26.17,-12.81,;25.85,-11.31,;26.99,-10.27,;26.66,-8.77,;25.19,-8.3,;24.87,-6.79,;26.01,-5.76,;23.4,-6.32,;25.03,-13.85,;25.36,-15.35,;23.56,-13.38,;22.42,-14.41,;22.75,-15.92,;21.61,-16.95,;21.94,-18.46,;20.8,-19.49,;21.12,-21,;19.98,-22.03,;22.59,-21.47,;20.96,-13.94,;20.63,-12.44,;19.82,-14.98,;18.35,-14.51,;18.51,-12.97,;17.26,-12.07,;15.79,-12.55,;14.88,-11.31,;15.78,-10.06,;15.46,-8.56,;16.6,-7.52,;18.07,-7.99,;18.39,-9.5,;17.25,-10.53,;17.21,-15.54,;17.54,-17.05,;15.74,-15.07,;14.6,-16.1,;14.93,-17.61,;13.79,-18.64,;14.11,-20.15,;12.97,-21.18,;13.3,-22.69,;12.16,-23.72,;14.77,-23.16,;13.14,-15.63,;12,-16.67,;12.81,-14.13,;13.84,-12.98,;13.06,-11.65,;11.56,-11.98,;11.4,-13.51,;10.07,-14.28,;10.08,-15.82,;8.73,-13.52,;7.4,-14.29,;6.07,-13.53,;4.74,-14.3,;3.4,-13.54,;2.07,-14.31,;.73,-13.55,;7.41,-15.83,;8.75,-16.6,;6.08,-16.61,)|
Show InChI InChI=1S/C77H109N23O13/c1-44(2)36-59(97-69(107)60(38-45-16-4-3-5-17-45)98-70(108)61(39-47-41-89-53-20-8-6-18-50(47)53)92-64(102)43-91-65(103)52(79)37-46-27-29-49(101)30-28-46)68(106)94-55(23-12-32-86-75(80)81)66(104)93-56(24-13-33-87-76(82)83)67(105)99-62(40-48-42-90-54-21-9-7-19-51(48)54)71(109)95-57(25-14-34-88-77(84)85)73(111)100-35-15-26-63(100)72(110)96-58(74(112)113)22-10-11-31-78/h3-9,16-21,27-30,41-42,44,52,55-63,89-90,101H,10-15,22-26,31-40,43,78-79H2,1-2H3,(H,91,103)(H,92,102)(H,93,104)(H,94,106)(H,95,109)(H,96,110)(H,97,107)(H,98,108)(H,99,105)(H,112,113)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t52-,55-,56-,57-,58-,59-,60-,61+,62+,63+/m0/s1
PDB

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1.04E+3n/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)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50019481
PNG
(CHEMBL2028997 | NH2-Tyr-Gly-Gly-Phe-D-Trp-Arg-Arg-...)
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)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C99H154N30O24/c1-7-55(6)81(128-86(142)66(28-18-40-111-98(106)107)117-83(139)65(27-17-39-110-97(104)105)119-88(144)70(44-54(4)5)124-89(145)71(46-56-21-9-8-10-22-56)116-78(133)52-114-77(132)51-115-82(138)61(102)45-57-31-33-59(130)34-32-57)94(150)121-67(29-19-41-112-99(108)109)95(151)129-42-20-30-75(129)93(149)120-64(26-14-16-38-101)85(141)123-69(43-53(2)3)87(143)118-63(25-13-15-37-100)84(140)125-72(47-58-50-113-62-24-12-11-23-60(58)62)90(146)127-74(49-80(136)137)92(148)126-73(48-76(103)131)91(147)122-68(96(152)153)35-36-79(134)135/h8-12,21-24,31-34,50,53-55,61,63-75,81,113,130H,7,13-20,25-30,35-49,51-52,100-102H2,1-6H3,(H2,103,131)(H,114,132)(H,115,138)(H,116,133)(H,117,139)(H,118,143)(H,119,144)(H,120,149)(H,121,150)(H,122,147)(H,123,141)(H,124,145)(H,125,140)(H,126,148)(H,127,146)(H,128,142)(H,134,135)(H,136,137)(H,152,153)(H4,104,105,110)(H4,106,107,111)(H4,108,109,112)/t55-,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/m0/s1
UniProtKB/SwissProt

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n/an/a 0.280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor mu 1 in guinea pig ileum.


J Med Chem 29: 1913-7 (1986)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50019480
PNG
(CHEMBL2373009 | NH2-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-D-...)
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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:4.4,76.79,51.52,94.98,wD:90.95,62.63,40.41,8.16,27.28,(-1.12,-19.2,;-1.46,-17.7,;-2.93,-17.24,;-.32,-16.66,;-.66,-15.15,;.47,-14.11,;1.94,-14.57,;2.28,-16.07,;3.07,-13.52,;2.73,-12.02,;1.26,-11.56,;.92,-10.06,;-.55,-9.6,;-1.68,-10.65,;-1.34,-12.15,;.13,-12.61,;4.54,-13.98,;5.67,-12.93,;5.33,-11.43,;7.14,-13.39,;8.27,-12.35,;9.74,-12.8,;10.08,-14.3,;10.87,-11.76,;12.34,-12.21,;13.48,-11.17,;13.14,-9.67,;14.95,-11.63,;15.29,-13.13,;16.08,-10.58,;17.55,-11.04,;18.68,-9.99,;20.15,-10.45,;20.49,-11.95,;21.96,-12.41,;19.36,-13,;17.89,-12.54,;-2.13,-14.7,;-2.47,-13.19,;-3.27,-15.74,;-4.74,-15.28,;-5.08,-13.78,;-3.94,-12.74,;-4.28,-11.23,;-3.15,-10.19,;-3.49,-8.69,;-2.36,-7.64,;-4.96,-8.23,;-5.87,-16.33,;-5.53,-17.83,;-7.34,-15.87,;-8.47,-16.92,;-8.13,-18.42,;-9.26,-19.46,;-8.92,-20.97,;-10.05,-22.01,;-9.71,-23.51,;-10.84,-24.56,;-8.24,-23.97,;-9.94,-16.46,;-10.28,-14.96,;-11.07,-17.5,;-12.54,-17.05,;-13.67,-18.09,;-15.14,-17.64,;-15.64,-16.18,;-17.18,-16.2,;-17.64,-17.67,;-19.03,-18.31,;-19.18,-19.84,;-17.92,-20.73,;-16.52,-20.09,;-16.38,-18.56,;-12.88,-15.55,;-14.35,-15.09,;-11.75,-14.5,;-12.09,-13,;-13.56,-12.54,;-13.9,-11.04,;-15.37,-10.58,;-15.71,-9.08,;-17.18,-8.62,;-17.52,-7.12,;-18.31,-9.67,;-10.96,-11.95,;-9.49,-12.41,;-11.3,-10.45,;-12.71,-9.84,;-12.57,-8.31,;-11.07,-7.97,;-10.28,-9.29,;-8.75,-9.43,;-8.1,-10.83,;-7.86,-8.18,;-6.33,-8.32,;-5.44,-7.06,;-3.9,-7.2,;-3.01,-5.95,;-1.48,-6.09,;-.59,-4.83,;-5.68,-9.72,;-6.57,-10.98,;-4.15,-9.86,)|
Show InChI InChI=1S/C68H102N22O13/c1-39(2)32-51(88-61(98)52(34-40-14-4-3-5-15-40)83-56(93)38-81-55(92)37-82-57(94)45(70)33-41-23-25-43(91)26-24-41)60(97)85-47(19-10-28-77-66(71)72)58(95)84-48(20-11-29-78-67(73)74)59(96)89-53(35-42-36-80-46-17-7-6-16-44(42)46)62(99)86-49(21-12-30-79-68(75)76)64(101)90-31-13-22-54(90)63(100)87-50(65(102)103)18-8-9-27-69/h3-7,14-17,23-26,36,39,45,47-54,80,91H,8-13,18-22,27-35,37-38,69-70H2,1-2H3,(H,81,92)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,100)(H,88,98)(H,89,96)(H,102,103)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t45-,47-,48-,49-,50-,51-,52-,53+,54+/m0/s1
UniProtKB/SwissProt

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n/an/a 2.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor mu 1 in guinea pig ileum.


J Med Chem 29: 1913-7 (1986)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(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 |r|
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
UniProtKB/SwissProt

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n/an/a 2.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor mu 1 in guinea pig ileum.


J Med Chem 29: 1913-7 (1986)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50019481
PNG
(CHEMBL2028997 | NH2-Tyr-Gly-Gly-Phe-D-Trp-Arg-Arg-...)
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)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C99H154N30O24/c1-7-55(6)81(128-86(142)66(28-18-40-111-98(106)107)117-83(139)65(27-17-39-110-97(104)105)119-88(144)70(44-54(4)5)124-89(145)71(46-56-21-9-8-10-22-56)116-78(133)52-114-77(132)51-115-82(138)61(102)45-57-31-33-59(130)34-32-57)94(150)121-67(29-19-41-112-99(108)109)95(151)129-42-20-30-75(129)93(149)120-64(26-14-16-38-101)85(141)123-69(43-53(2)3)87(143)118-63(25-13-15-37-100)84(140)125-72(47-58-50-113-62-24-12-11-23-60(58)62)90(146)127-74(49-80(136)137)92(148)126-73(48-76(103)131)91(147)122-68(96(152)153)35-36-79(134)135/h8-12,21-24,31-34,50,53-55,61,63-75,81,113,130H,7,13-20,25-30,35-49,51-52,100-102H2,1-6H3,(H2,103,131)(H,114,132)(H,115,138)(H,116,133)(H,117,139)(H,118,143)(H,119,144)(H,120,149)(H,121,150)(H,122,147)(H,123,141)(H,124,145)(H,125,140)(H,126,148)(H,127,146)(H,128,142)(H,134,135)(H,136,137)(H,152,153)(H4,104,105,110)(H4,106,107,111)(H4,108,109,112)/t55-,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor kappa 1 in rabbit vas deferens.


J Med Chem 29: 1913-7 (1986)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50019484
PNG
(CHEMBL384584 | NH2-Tyr-D-Trp-Gly-Phe-Leu-Arg-Arg-D...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=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
UniProtKB/SwissProt

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n/an/a 3.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor mu 1 in guinea pig ileum.


J Med Chem 29: 1913-7 (1986)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50019484
PNG
(CHEMBL384584 | NH2-Tyr-D-Trp-Gly-Phe-Leu-Arg-Arg-D...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48+,51-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor kappa 1 in rabbit vas deferens.


J Med Chem 29: 1913-7 (1986)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


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



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor kappa 1 in rabbit vas deferens.


J Med Chem 29: 1913-7 (1986)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50019480
PNG
(CHEMBL2373009 | NH2-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-D-...)
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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:4.4,76.79,51.52,94.98,wD:90.95,62.63,40.41,8.16,27.28,(-1.12,-19.2,;-1.46,-17.7,;-2.93,-17.24,;-.32,-16.66,;-.66,-15.15,;.47,-14.11,;1.94,-14.57,;2.28,-16.07,;3.07,-13.52,;2.73,-12.02,;1.26,-11.56,;.92,-10.06,;-.55,-9.6,;-1.68,-10.65,;-1.34,-12.15,;.13,-12.61,;4.54,-13.98,;5.67,-12.93,;5.33,-11.43,;7.14,-13.39,;8.27,-12.35,;9.74,-12.8,;10.08,-14.3,;10.87,-11.76,;12.34,-12.21,;13.48,-11.17,;13.14,-9.67,;14.95,-11.63,;15.29,-13.13,;16.08,-10.58,;17.55,-11.04,;18.68,-9.99,;20.15,-10.45,;20.49,-11.95,;21.96,-12.41,;19.36,-13,;17.89,-12.54,;-2.13,-14.7,;-2.47,-13.19,;-3.27,-15.74,;-4.74,-15.28,;-5.08,-13.78,;-3.94,-12.74,;-4.28,-11.23,;-3.15,-10.19,;-3.49,-8.69,;-2.36,-7.64,;-4.96,-8.23,;-5.87,-16.33,;-5.53,-17.83,;-7.34,-15.87,;-8.47,-16.92,;-8.13,-18.42,;-9.26,-19.46,;-8.92,-20.97,;-10.05,-22.01,;-9.71,-23.51,;-10.84,-24.56,;-8.24,-23.97,;-9.94,-16.46,;-10.28,-14.96,;-11.07,-17.5,;-12.54,-17.05,;-13.67,-18.09,;-15.14,-17.64,;-15.64,-16.18,;-17.18,-16.2,;-17.64,-17.67,;-19.03,-18.31,;-19.18,-19.84,;-17.92,-20.73,;-16.52,-20.09,;-16.38,-18.56,;-12.88,-15.55,;-14.35,-15.09,;-11.75,-14.5,;-12.09,-13,;-13.56,-12.54,;-13.9,-11.04,;-15.37,-10.58,;-15.71,-9.08,;-17.18,-8.62,;-17.52,-7.12,;-18.31,-9.67,;-10.96,-11.95,;-9.49,-12.41,;-11.3,-10.45,;-12.71,-9.84,;-12.57,-8.31,;-11.07,-7.97,;-10.28,-9.29,;-8.75,-9.43,;-8.1,-10.83,;-7.86,-8.18,;-6.33,-8.32,;-5.44,-7.06,;-3.9,-7.2,;-3.01,-5.95,;-1.48,-6.09,;-.59,-4.83,;-5.68,-9.72,;-6.57,-10.98,;-4.15,-9.86,)|
Show InChI InChI=1S/C68H102N22O13/c1-39(2)32-51(88-61(98)52(34-40-14-4-3-5-15-40)83-56(93)38-81-55(92)37-82-57(94)45(70)33-41-23-25-43(91)26-24-41)60(97)85-47(19-10-28-77-66(71)72)58(95)84-48(20-11-29-78-67(73)74)59(96)89-53(35-42-36-80-46-17-7-6-16-44(42)46)62(99)86-49(21-12-30-79-68(75)76)64(101)90-31-13-22-54(90)63(100)87-50(65(102)103)18-8-9-27-69/h3-7,14-17,23-26,36,39,45,47-54,80,91H,8-13,18-22,27-35,37-38,69-70H2,1-2H3,(H,81,92)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,100)(H,88,98)(H,89,96)(H,102,103)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t45-,47-,48-,49-,50-,51-,52-,53+,54+/m0/s1
PDB

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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor kappa 1 in rabbit vas deferens.


J Med Chem 29: 1913-7 (1986)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50452250
PNG
(CHEMBL2373014)
Show SMILES NCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |wU:16.24,41.51,5.5,wD:9.8,63.78,27.40,52.62,77.90,96.102,(25.1,-5.27,;24.22,-6.52,;22.68,-6.38,;21.79,-7.64,;20.26,-7.5,;19.37,-8.75,;17.84,-8.61,;16.95,-9.87,;17.59,-11.27,;15.41,-9.73,;14.63,-8.41,;13.12,-8.74,;12.98,-10.28,;14.4,-10.89,;14.74,-12.39,;16.21,-12.85,;13.61,-13.43,;12.14,-12.98,;11.8,-11.47,;10.33,-11.02,;9.99,-9.51,;8.52,-9.06,;8.18,-7.56,;7.38,-10.1,;13.95,-14.94,;12.81,-15.98,;11.34,-15.52,;13.15,-17.48,;12.02,-18.53,;10.55,-18.07,;10.06,-16.61,;8.52,-16.63,;8.06,-18.1,;6.66,-18.75,;6.52,-20.28,;7.78,-21.17,;9.18,-20.53,;9.32,-18.99,;14.62,-17.94,;15.76,-16.9,;15.42,-15.39,;17.23,-17.35,;17.57,-18.85,;16.43,-19.9,;16.77,-21.4,;15.64,-22.45,;15.98,-23.95,;14.85,-24.99,;17.45,-24.41,;18.36,-16.31,;19.83,-16.76,;20.17,-18.27,;20.96,-15.72,;20.62,-14.22,;21.75,-13.17,;21.41,-11.67,;22.54,-10.63,;22.2,-9.12,;23.33,-8.08,;20.73,-8.67,;22.43,-16.18,;23.56,-15.13,;23.22,-13.63,;25.03,-15.59,;25.37,-17.09,;24.24,-18.14,;22.73,-17.83,;21.98,-19.18,;23.02,-20.31,;22.88,-21.84,;24.14,-22.73,;25.54,-22.09,;25.68,-20.55,;24.42,-19.67,;26.16,-14.54,;27.63,-15,;27.97,-16.5,;28.76,-13.96,;28.43,-12.45,;26.95,-12,;25.82,-13.04,;24.35,-12.58,;24.01,-11.08,;25.14,-10.04,;26.62,-10.49,;30.23,-14.41,;31.37,-13.37,;31.03,-11.87,;32.84,-13.83,;33.97,-12.78,;35.44,-13.24,;35.78,-14.74,;36.57,-12.19,;38.04,-12.65,;39.17,-11.6,;38.83,-10.1,;40.64,-12.06,;40.98,-13.56,;41.77,-11.02,;43.24,-11.47,;44.38,-10.43,;45.85,-10.89,;46.19,-12.39,;47.66,-12.85,;45.05,-13.43,;43.58,-12.98,;20.01,-10.15,;19.13,-11.41,;21.55,-10.29,)|
Show InChI InChI=1S/C73H101N23O13/c74-29-9-8-20-55(70(108)109)93-68(106)59-24-13-33-96(59)69(107)54(23-12-32-84-73(80)81)92-67(105)58(37-45-39-86-51-19-7-5-17-48(45)51)94-64(102)53(22-11-31-83-72(78)79)90-63(101)52(21-10-30-82-71(76)77)91-66(104)57(36-44-38-85-50-18-6-4-16-47(44)50)95-65(103)56(35-42-14-2-1-3-15-42)89-61(99)41-87-60(98)40-88-62(100)49(75)34-43-25-27-46(97)28-26-43/h1-7,14-19,25-28,38-39,49,52-59,85-86,97H,8-13,20-24,29-37,40-41,74-75H2,(H,87,98)(H,88,100)(H,89,99)(H,90,101)(H,91,104)(H,92,105)(H,93,106)(H,94,102)(H,95,103)(H,108,109)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t49-,52-,53-,54-,55-,56-,57+,58+,59+/m0/s1
UniProtKB/SwissProt

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n/an/a 69n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor mu 1 in guinea pig ileum.


J Med Chem 29: 1913-7 (1986)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50452248
PNG
(CHEMBL3037891)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:100.107,4.4,72.75,86.91,61.64,19.20,wD:50.53,104.110,8.8,37.40,(29.76,-16.76,;29.43,-15.26,;27.96,-14.79,;30.57,-14.22,;30.25,-12.72,;31.39,-11.68,;32.85,-12.15,;33.18,-13.66,;33.99,-11.12,;33.67,-9.61,;32.2,-9.14,;31.87,-7.64,;30.41,-7.17,;29.27,-8.2,;29.59,-9.71,;31.06,-10.18,;35.46,-11.59,;36.6,-10.55,;36.27,-9.05,;38.07,-11.02,;39.21,-9.99,;40.67,-10.46,;41.15,-11.92,;42.69,-11.92,;43.16,-10.45,;44.57,-9.82,;44.72,-8.29,;43.48,-7.39,;42.07,-8.02,;41.92,-9.55,;38.39,-12.53,;37.25,-13.56,;35.79,-13.09,;37.58,-15.07,;36.44,-16.1,;36.76,-17.61,;38.23,-18.08,;35.62,-18.64,;34.16,-18.17,;35.95,-20.15,;34.81,-21.18,;35.13,-22.69,;33.99,-23.72,;32.53,-23.25,;31.39,-24.29,;32.2,-21.75,;33.34,-20.71,;28.78,-12.25,;28.45,-10.74,;27.64,-13.28,;26.17,-12.81,;25.85,-11.31,;26.99,-10.27,;26.66,-8.77,;25.19,-8.3,;24.87,-6.79,;26.01,-5.76,;23.4,-6.32,;25.03,-13.85,;25.36,-15.35,;23.56,-13.38,;22.42,-14.41,;22.75,-15.92,;21.61,-16.95,;21.94,-18.46,;20.8,-19.49,;21.12,-21,;19.98,-22.03,;22.59,-21.47,;20.96,-13.94,;20.63,-12.44,;19.82,-14.98,;18.35,-14.51,;18.51,-12.97,;17.26,-12.07,;15.79,-12.55,;14.88,-11.31,;15.78,-10.06,;15.46,-8.56,;16.6,-7.52,;18.07,-7.99,;18.39,-9.5,;17.25,-10.53,;17.21,-15.54,;17.54,-17.05,;15.74,-15.07,;14.6,-16.1,;14.93,-17.61,;13.79,-18.64,;14.11,-20.15,;12.97,-21.18,;13.3,-22.69,;12.16,-23.72,;14.77,-23.16,;13.14,-15.63,;12,-16.67,;12.81,-14.13,;13.84,-12.98,;13.06,-11.65,;11.56,-11.98,;11.4,-13.51,;10.07,-14.28,;10.08,-15.82,;8.73,-13.52,;7.4,-14.29,;6.07,-13.53,;4.74,-14.3,;3.4,-13.54,;2.07,-14.31,;.73,-13.55,;7.41,-15.83,;8.75,-16.6,;6.08,-16.61,)|
Show InChI InChI=1S/C77H109N23O13/c1-44(2)36-59(97-69(107)60(38-45-16-4-3-5-17-45)98-70(108)61(39-47-41-89-53-20-8-6-18-50(47)53)92-64(102)43-91-65(103)52(79)37-46-27-29-49(101)30-28-46)68(106)94-55(23-12-32-86-75(80)81)66(104)93-56(24-13-33-87-76(82)83)67(105)99-62(40-48-42-90-54-21-9-7-19-51(48)54)71(109)95-57(25-14-34-88-77(84)85)73(111)100-35-15-26-63(100)72(110)96-58(74(112)113)22-10-11-31-78/h3-9,16-21,27-30,41-42,44,52,55-63,89-90,101H,10-15,22-26,31-40,43,78-79H2,1-2H3,(H,91,103)(H,92,102)(H,93,104)(H,94,106)(H,95,109)(H,96,110)(H,97,107)(H,98,108)(H,99,105)(H,112,113)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t52-,55-,56-,57-,58-,59-,60-,61+,62+,63+/m0/s1
UniProtKB/SwissProt

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n/an/a 222n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor mu 1 in guinea pig ileum.


J Med Chem 29: 1913-7 (1986)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50019481
PNG
(CHEMBL2028997 | NH2-Tyr-Gly-Gly-Phe-D-Trp-Arg-Arg-...)
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)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C99H154N30O24/c1-7-55(6)81(128-86(142)66(28-18-40-111-98(106)107)117-83(139)65(27-17-39-110-97(104)105)119-88(144)70(44-54(4)5)124-89(145)71(46-56-21-9-8-10-22-56)116-78(133)52-114-77(132)51-115-82(138)61(102)45-57-31-33-59(130)34-32-57)94(150)121-67(29-19-41-112-99(108)109)95(151)129-42-20-30-75(129)93(149)120-64(26-14-16-38-101)85(141)123-69(43-53(2)3)87(143)118-63(25-13-15-37-100)84(140)125-72(47-58-50-113-62-24-12-11-23-60(58)62)90(146)127-74(49-80(136)137)92(148)126-73(48-76(103)131)91(147)122-68(96(152)153)35-36-79(134)135/h8-12,21-24,31-34,50,53-55,61,63-75,81,113,130H,7,13-20,25-30,35-49,51-52,100-102H2,1-6H3,(H2,103,131)(H,114,132)(H,115,138)(H,116,133)(H,117,139)(H,118,143)(H,119,144)(H,120,149)(H,121,150)(H,122,147)(H,123,141)(H,124,145)(H,125,140)(H,126,148)(H,127,146)(H,128,142)(H,134,135)(H,136,137)(H,152,153)(H4,104,105,110)(H4,106,107,111)(H4,108,109,112)/t55-,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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n/an/a 262n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor delta 1 in hamster vas deferens.


J Med Chem 29: 1913-7 (1986)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


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

Reactome pathway
KEGG

UniProtKB/SwissProt

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n/an/a 284n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor delta 1 in hamster vas deferens.


J Med Chem 29: 1913-7 (1986)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50019480
PNG
(CHEMBL2373009 | NH2-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-D-...)
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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:4.4,76.79,51.52,94.98,wD:90.95,62.63,40.41,8.16,27.28,(-1.12,-19.2,;-1.46,-17.7,;-2.93,-17.24,;-.32,-16.66,;-.66,-15.15,;.47,-14.11,;1.94,-14.57,;2.28,-16.07,;3.07,-13.52,;2.73,-12.02,;1.26,-11.56,;.92,-10.06,;-.55,-9.6,;-1.68,-10.65,;-1.34,-12.15,;.13,-12.61,;4.54,-13.98,;5.67,-12.93,;5.33,-11.43,;7.14,-13.39,;8.27,-12.35,;9.74,-12.8,;10.08,-14.3,;10.87,-11.76,;12.34,-12.21,;13.48,-11.17,;13.14,-9.67,;14.95,-11.63,;15.29,-13.13,;16.08,-10.58,;17.55,-11.04,;18.68,-9.99,;20.15,-10.45,;20.49,-11.95,;21.96,-12.41,;19.36,-13,;17.89,-12.54,;-2.13,-14.7,;-2.47,-13.19,;-3.27,-15.74,;-4.74,-15.28,;-5.08,-13.78,;-3.94,-12.74,;-4.28,-11.23,;-3.15,-10.19,;-3.49,-8.69,;-2.36,-7.64,;-4.96,-8.23,;-5.87,-16.33,;-5.53,-17.83,;-7.34,-15.87,;-8.47,-16.92,;-8.13,-18.42,;-9.26,-19.46,;-8.92,-20.97,;-10.05,-22.01,;-9.71,-23.51,;-10.84,-24.56,;-8.24,-23.97,;-9.94,-16.46,;-10.28,-14.96,;-11.07,-17.5,;-12.54,-17.05,;-13.67,-18.09,;-15.14,-17.64,;-15.64,-16.18,;-17.18,-16.2,;-17.64,-17.67,;-19.03,-18.31,;-19.18,-19.84,;-17.92,-20.73,;-16.52,-20.09,;-16.38,-18.56,;-12.88,-15.55,;-14.35,-15.09,;-11.75,-14.5,;-12.09,-13,;-13.56,-12.54,;-13.9,-11.04,;-15.37,-10.58,;-15.71,-9.08,;-17.18,-8.62,;-17.52,-7.12,;-18.31,-9.67,;-10.96,-11.95,;-9.49,-12.41,;-11.3,-10.45,;-12.71,-9.84,;-12.57,-8.31,;-11.07,-7.97,;-10.28,-9.29,;-8.75,-9.43,;-8.1,-10.83,;-7.86,-8.18,;-6.33,-8.32,;-5.44,-7.06,;-3.9,-7.2,;-3.01,-5.95,;-1.48,-6.09,;-.59,-4.83,;-5.68,-9.72,;-6.57,-10.98,;-4.15,-9.86,)|
Show InChI InChI=1S/C68H102N22O13/c1-39(2)32-51(88-61(98)52(34-40-14-4-3-5-15-40)83-56(93)38-81-55(92)37-82-57(94)45(70)33-41-23-25-43(91)26-24-41)60(97)85-47(19-10-28-77-66(71)72)58(95)84-48(20-11-29-78-67(73)74)59(96)89-53(35-42-36-80-46-17-7-6-16-44(42)46)62(99)86-49(21-12-30-79-68(75)76)64(101)90-31-13-22-54(90)63(100)87-50(65(102)103)18-8-9-27-69/h3-7,14-17,23-26,36,39,45,47-54,80,91H,8-13,18-22,27-35,37-38,69-70H2,1-2H3,(H,81,92)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,100)(H,88,98)(H,89,96)(H,102,103)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t45-,47-,48-,49-,50-,51-,52-,53+,54+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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n/an/a 717n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor delta 1 in hamster vas deferens.


J Med Chem 29: 1913-7 (1986)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50019484
PNG
(CHEMBL384584 | NH2-Tyr-D-Trp-Gly-Phe-Leu-Arg-Arg-D...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48+,51-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
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n/an/a 929n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor delta 1 in hamster vas deferens.


J Med Chem 29: 1913-7 (1986)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50019487
PNG
(CHEMBL2373013 | NH2-Tyr-D-Trp-Gly-D-Trp-Leu-Arg-Ar...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:103.111,4.4,26.40,89.95,64.68,8.8,wD:75.79,53.57,107.114,40.44,(34.18,-21.17,;33.84,-19.67,;32.37,-19.21,;34.97,-18.62,;34.63,-17.12,;35.76,-16.08,;37.23,-16.53,;37.57,-18.04,;38.36,-15.49,;38.02,-13.99,;36.55,-13.53,;35.32,-14.45,;34.06,-13.56,;34.52,-12.09,;33.73,-10.77,;34.49,-9.42,;36.03,-9.4,;36.81,-10.73,;36.06,-12.07,;39.83,-15.95,;40.97,-14.9,;40.63,-13.4,;42.44,-15.36,;43.57,-14.31,;45.04,-14.77,;45.38,-16.27,;46.17,-13.73,;45.83,-12.22,;44.36,-11.77,;43.12,-12.69,;41.87,-11.8,;42.32,-10.33,;41.54,-9,;42.29,-7.66,;43.83,-7.64,;44.62,-8.96,;43.86,-10.31,;47.64,-14.18,;48.77,-13.14,;48.43,-11.64,;50.24,-13.59,;50.58,-15.1,;51.37,-12.55,;52.84,-13.01,;53.97,-11.96,;55.44,-12.42,;55.78,-13.92,;57.25,-14.38,;54.65,-14.97,;53.18,-14.51,;33.16,-16.66,;32.82,-15.16,;32.03,-17.71,;30.56,-17.25,;30.22,-15.75,;31.35,-14.7,;31.01,-13.2,;32.14,-12.16,;31.8,-10.66,;32.93,-9.61,;30.33,-10.2,;29.43,-18.3,;29.77,-19.8,;27.96,-17.84,;26.83,-18.88,;27.16,-20.39,;26.03,-21.43,;26.37,-22.93,;25.24,-23.98,;25.58,-25.48,;24.45,-26.53,;27.05,-25.94,;25.35,-18.43,;25.02,-16.93,;24.22,-19.47,;22.75,-19.02,;21.62,-20.06,;20.15,-19.6,;19.66,-18.14,;18.12,-18.16,;17.66,-19.63,;16.26,-20.28,;16.12,-21.81,;17.38,-22.7,;18.78,-22.06,;18.92,-20.52,;22.41,-17.51,;20.94,-17.06,;23.54,-16.47,;23.21,-14.97,;21.73,-14.51,;21.4,-13.01,;19.92,-12.55,;19.59,-11.05,;18.11,-10.59,;17.78,-9.09,;16.98,-11.64,;24.34,-13.92,;24,-12.42,;25.81,-14.38,;26.3,-15.84,;27.84,-15.82,;28.3,-14.35,;27.04,-13.46,;27.02,-11.92,;25.68,-11.16,;28.35,-11.13,;28.33,-9.59,;29.65,-8.8,;29.63,-7.26,;30.95,-6.48,;30.93,-4.94,;32.26,-4.15,;26.98,-8.84,;25.66,-9.62,;26.96,-7.3,)|
Show InChI InChI=1S/C79H110N24O13/c1-44(2)35-61(101-72(111)63(38-47-41-92-55-19-7-4-16-51(47)55)95-66(105)43-94-68(107)62(37-46-40-91-54-18-6-3-15-50(46)54)100-67(106)53(81)36-45-26-28-49(104)29-27-45)71(110)97-57(22-11-31-88-77(82)83)69(108)96-58(23-12-32-89-78(84)85)70(109)102-64(39-48-42-93-56-20-8-5-17-52(48)56)73(112)98-59(24-13-33-90-79(86)87)75(114)103-34-14-25-65(103)74(113)99-60(76(115)116)21-9-10-30-80/h3-8,15-20,26-29,40-42,44,53,57-65,91-93,104H,9-14,21-25,30-39,43,80-81H2,1-2H3,(H,94,107)(H,95,105)(H,96,108)(H,97,110)(H,98,112)(H,99,113)(H,100,106)(H,101,111)(H,102,109)(H,115,116)(H4,82,83,88)(H4,84,85,89)(H4,86,87,90)/t53-,57-,58-,59-,60-,61-,62+,63+,64+,65+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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n/an/a 2.72E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor delta 1 in hamster vas deferens.


J Med Chem 29: 1913-7 (1986)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50452250
PNG
(CHEMBL2373014)
Show SMILES NCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |wU:16.24,41.51,5.5,wD:9.8,63.78,27.40,52.62,77.90,96.102,(25.1,-5.27,;24.22,-6.52,;22.68,-6.38,;21.79,-7.64,;20.26,-7.5,;19.37,-8.75,;17.84,-8.61,;16.95,-9.87,;17.59,-11.27,;15.41,-9.73,;14.63,-8.41,;13.12,-8.74,;12.98,-10.28,;14.4,-10.89,;14.74,-12.39,;16.21,-12.85,;13.61,-13.43,;12.14,-12.98,;11.8,-11.47,;10.33,-11.02,;9.99,-9.51,;8.52,-9.06,;8.18,-7.56,;7.38,-10.1,;13.95,-14.94,;12.81,-15.98,;11.34,-15.52,;13.15,-17.48,;12.02,-18.53,;10.55,-18.07,;10.06,-16.61,;8.52,-16.63,;8.06,-18.1,;6.66,-18.75,;6.52,-20.28,;7.78,-21.17,;9.18,-20.53,;9.32,-18.99,;14.62,-17.94,;15.76,-16.9,;15.42,-15.39,;17.23,-17.35,;17.57,-18.85,;16.43,-19.9,;16.77,-21.4,;15.64,-22.45,;15.98,-23.95,;14.85,-24.99,;17.45,-24.41,;18.36,-16.31,;19.83,-16.76,;20.17,-18.27,;20.96,-15.72,;20.62,-14.22,;21.75,-13.17,;21.41,-11.67,;22.54,-10.63,;22.2,-9.12,;23.33,-8.08,;20.73,-8.67,;22.43,-16.18,;23.56,-15.13,;23.22,-13.63,;25.03,-15.59,;25.37,-17.09,;24.24,-18.14,;22.73,-17.83,;21.98,-19.18,;23.02,-20.31,;22.88,-21.84,;24.14,-22.73,;25.54,-22.09,;25.68,-20.55,;24.42,-19.67,;26.16,-14.54,;27.63,-15,;27.97,-16.5,;28.76,-13.96,;28.43,-12.45,;26.95,-12,;25.82,-13.04,;24.35,-12.58,;24.01,-11.08,;25.14,-10.04,;26.62,-10.49,;30.23,-14.41,;31.37,-13.37,;31.03,-11.87,;32.84,-13.83,;33.97,-12.78,;35.44,-13.24,;35.78,-14.74,;36.57,-12.19,;38.04,-12.65,;39.17,-11.6,;38.83,-10.1,;40.64,-12.06,;40.98,-13.56,;41.77,-11.02,;43.24,-11.47,;44.38,-10.43,;45.85,-10.89,;46.19,-12.39,;47.66,-12.85,;45.05,-13.43,;43.58,-12.98,;20.01,-10.15,;19.13,-11.41,;21.55,-10.29,)|
Show InChI InChI=1S/C73H101N23O13/c74-29-9-8-20-55(70(108)109)93-68(106)59-24-13-33-96(59)69(107)54(23-12-32-84-73(80)81)92-67(105)58(37-45-39-86-51-19-7-5-17-48(45)51)94-64(102)53(22-11-31-83-72(78)79)90-63(101)52(21-10-30-82-71(76)77)91-66(104)57(36-44-38-85-50-18-6-4-16-47(44)50)95-65(103)56(35-42-14-2-1-3-15-42)89-61(99)41-87-60(98)40-88-62(100)49(75)34-43-25-27-46(97)28-26-43/h1-7,14-19,25-28,38-39,49,52-59,85-86,97H,8-13,20-24,29-37,40-41,74-75H2,(H,87,98)(H,88,100)(H,89,99)(H,90,101)(H,91,104)(H,92,105)(H,93,106)(H,94,102)(H,95,103)(H,108,109)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t49-,52-,53-,54-,55-,56-,57+,58+,59+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
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n/an/a 4.32E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor delta 1 in hamster vas deferens.


J Med Chem 29: 1913-7 (1986)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50452249
PNG
(CHEMBL2373012)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:72.75,4.4,86.91,61.64,104.110,wD:100.107,23.36,50.53,8.16,37.40,(25.09,-20.82,;25.59,-19.36,;24.58,-18.2,;27.1,-19.07,;27.61,-17.61,;29.12,-17.32,;30.13,-18.49,;29.62,-19.94,;31.64,-18.2,;32.14,-16.74,;31.14,-15.58,;31.64,-14.12,;30.63,-12.96,;29.12,-13.25,;28.62,-14.7,;29.62,-15.87,;32.65,-19.36,;34.16,-19.07,;34.66,-17.61,;35.17,-20.23,;36.68,-19.94,;37.69,-21.11,;37.18,-22.56,;39.2,-20.82,;40.21,-21.98,;39.7,-23.44,;38.23,-23.88,;38.2,-25.42,;39.66,-25.93,;40.26,-27.35,;41.78,-27.54,;42.71,-26.31,;42.11,-24.89,;40.59,-24.7,;39.7,-19.36,;38.7,-18.2,;37.18,-18.49,;39.2,-16.74,;40.71,-16.45,;38.19,-15.58,;38.7,-14.12,;37.69,-12.96,;38.19,-11.5,;39.7,-11.21,;40.21,-9.76,;40.71,-12.38,;40.21,-13.83,;26.6,-16.45,;27.1,-15,;25.09,-16.74,;24.08,-15.58,;24.58,-14.12,;26.09,-13.83,;26.6,-12.38,;28.11,-12.09,;28.62,-10.63,;30.13,-10.34,;27.61,-9.47,;22.57,-15.87,;22.06,-17.32,;21.56,-14.7,;20.05,-15,;19.54,-16.45,;18.03,-16.74,;17.53,-18.2,;16.01,-18.49,;15.51,-19.94,;14,-20.23,;16.52,-21.11,;19.04,-13.83,;19.54,-12.38,;17.53,-14.12,;16.52,-12.96,;17.02,-11.5,;16.01,-10.34,;14.48,-10.47,;13.88,-9.05,;15.04,-8.04,;15.07,-6.5,;16.42,-5.76,;17.74,-6.56,;17.71,-8.1,;16.36,-8.84,;15,-13.25,;14.5,-14.7,;14,-12.09,;12.48,-12.38,;11.98,-13.83,;10.47,-14.12,;9.96,-15.58,;8.45,-15.87,;7.95,-17.32,;6.44,-17.61,;8.96,-18.49,;11.48,-11.21,;11.98,-9.76,;9.96,-11.5,;9.31,-12.9,;7.78,-12.71,;7.49,-11.19,;8.84,-10.45,;9.03,-8.92,;10.45,-8.32,;7.8,-7.99,;7.99,-6.47,;6.76,-5.54,;6.95,-4.01,;5.73,-3.08,;5.92,-1.55,;4.69,-.62,;9.41,-5.87,;10.64,-6.8,;9.6,-4.34,)|
Show InChI InChI=1S/C77H109N23O13/c1-44(2)36-59(98-70(108)60(38-45-16-4-3-5-17-45)92-64(102)43-91-66(104)61(39-47-41-89-53-20-8-6-18-50(47)53)97-65(103)52(79)37-46-27-29-49(101)30-28-46)69(107)94-55(23-12-32-86-75(80)81)67(105)93-56(24-13-33-87-76(82)83)68(106)99-62(40-48-42-90-54-21-9-7-19-51(48)54)71(109)95-57(25-14-34-88-77(84)85)73(111)100-35-15-26-63(100)72(110)96-58(74(112)113)22-10-11-31-78/h3-9,16-21,27-30,41-42,44,52,55-63,89-90,101H,10-15,22-26,31-40,43,78-79H2,1-2H3,(H,91,104)(H,92,102)(H,93,105)(H,94,107)(H,95,109)(H,96,110)(H,97,103)(H,98,108)(H,99,106)(H,112,113)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t52-,55-,56-,57-,58-,59-,60-,61+,62+,63+/m0/s1
UniProtKB/SwissProt

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PC cid
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UniChem
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n/an/a 8.89E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor mu 1 in guinea pig ileum.


J Med Chem 29: 1913-7 (1986)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50019487
PNG
(CHEMBL2373013 | NH2-Tyr-D-Trp-Gly-D-Trp-Leu-Arg-Ar...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:103.111,4.4,26.40,89.95,64.68,8.8,wD:75.79,53.57,107.114,40.44,(34.18,-21.17,;33.84,-19.67,;32.37,-19.21,;34.97,-18.62,;34.63,-17.12,;35.76,-16.08,;37.23,-16.53,;37.57,-18.04,;38.36,-15.49,;38.02,-13.99,;36.55,-13.53,;35.32,-14.45,;34.06,-13.56,;34.52,-12.09,;33.73,-10.77,;34.49,-9.42,;36.03,-9.4,;36.81,-10.73,;36.06,-12.07,;39.83,-15.95,;40.97,-14.9,;40.63,-13.4,;42.44,-15.36,;43.57,-14.31,;45.04,-14.77,;45.38,-16.27,;46.17,-13.73,;45.83,-12.22,;44.36,-11.77,;43.12,-12.69,;41.87,-11.8,;42.32,-10.33,;41.54,-9,;42.29,-7.66,;43.83,-7.64,;44.62,-8.96,;43.86,-10.31,;47.64,-14.18,;48.77,-13.14,;48.43,-11.64,;50.24,-13.59,;50.58,-15.1,;51.37,-12.55,;52.84,-13.01,;53.97,-11.96,;55.44,-12.42,;55.78,-13.92,;57.25,-14.38,;54.65,-14.97,;53.18,-14.51,;33.16,-16.66,;32.82,-15.16,;32.03,-17.71,;30.56,-17.25,;30.22,-15.75,;31.35,-14.7,;31.01,-13.2,;32.14,-12.16,;31.8,-10.66,;32.93,-9.61,;30.33,-10.2,;29.43,-18.3,;29.77,-19.8,;27.96,-17.84,;26.83,-18.88,;27.16,-20.39,;26.03,-21.43,;26.37,-22.93,;25.24,-23.98,;25.58,-25.48,;24.45,-26.53,;27.05,-25.94,;25.35,-18.43,;25.02,-16.93,;24.22,-19.47,;22.75,-19.02,;21.62,-20.06,;20.15,-19.6,;19.66,-18.14,;18.12,-18.16,;17.66,-19.63,;16.26,-20.28,;16.12,-21.81,;17.38,-22.7,;18.78,-22.06,;18.92,-20.52,;22.41,-17.51,;20.94,-17.06,;23.54,-16.47,;23.21,-14.97,;21.73,-14.51,;21.4,-13.01,;19.92,-12.55,;19.59,-11.05,;18.11,-10.59,;17.78,-9.09,;16.98,-11.64,;24.34,-13.92,;24,-12.42,;25.81,-14.38,;26.3,-15.84,;27.84,-15.82,;28.3,-14.35,;27.04,-13.46,;27.02,-11.92,;25.68,-11.16,;28.35,-11.13,;28.33,-9.59,;29.65,-8.8,;29.63,-7.26,;30.95,-6.48,;30.93,-4.94,;32.26,-4.15,;26.98,-8.84,;25.66,-9.62,;26.96,-7.3,)|
Show InChI InChI=1S/C79H110N24O13/c1-44(2)35-61(101-72(111)63(38-47-41-92-55-19-7-4-16-51(47)55)95-66(105)43-94-68(107)62(37-46-40-91-54-18-6-3-15-50(46)54)100-67(106)53(81)36-45-26-28-49(104)29-27-45)71(110)97-57(22-11-31-88-77(82)83)69(108)96-58(23-12-32-89-78(84)85)70(109)102-64(39-48-42-93-56-20-8-5-17-52(48)56)73(112)98-59(24-13-33-90-79(86)87)75(114)103-34-14-25-65(103)74(113)99-60(76(115)116)21-9-10-30-80/h3-8,15-20,26-29,40-42,44,53,57-65,91-93,104H,9-14,21-25,30-39,43,80-81H2,1-2H3,(H,94,107)(H,95,105)(H,96,108)(H,97,110)(H,98,112)(H,99,113)(H,100,106)(H,101,111)(H,102,109)(H,115,116)(H4,82,83,88)(H4,84,85,89)(H4,86,87,90)/t53-,57-,58-,59-,60-,61-,62+,63+,64+,65+/m0/s1
UniProtKB/SwissProt

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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor mu 1 in guinea pig ileum.


J Med Chem 29: 1913-7 (1986)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50452248
PNG
(CHEMBL3037891)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:100.107,4.4,72.75,86.91,61.64,19.20,wD:50.53,104.110,8.8,37.40,(29.76,-16.76,;29.43,-15.26,;27.96,-14.79,;30.57,-14.22,;30.25,-12.72,;31.39,-11.68,;32.85,-12.15,;33.18,-13.66,;33.99,-11.12,;33.67,-9.61,;32.2,-9.14,;31.87,-7.64,;30.41,-7.17,;29.27,-8.2,;29.59,-9.71,;31.06,-10.18,;35.46,-11.59,;36.6,-10.55,;36.27,-9.05,;38.07,-11.02,;39.21,-9.99,;40.67,-10.46,;41.15,-11.92,;42.69,-11.92,;43.16,-10.45,;44.57,-9.82,;44.72,-8.29,;43.48,-7.39,;42.07,-8.02,;41.92,-9.55,;38.39,-12.53,;37.25,-13.56,;35.79,-13.09,;37.58,-15.07,;36.44,-16.1,;36.76,-17.61,;38.23,-18.08,;35.62,-18.64,;34.16,-18.17,;35.95,-20.15,;34.81,-21.18,;35.13,-22.69,;33.99,-23.72,;32.53,-23.25,;31.39,-24.29,;32.2,-21.75,;33.34,-20.71,;28.78,-12.25,;28.45,-10.74,;27.64,-13.28,;26.17,-12.81,;25.85,-11.31,;26.99,-10.27,;26.66,-8.77,;25.19,-8.3,;24.87,-6.79,;26.01,-5.76,;23.4,-6.32,;25.03,-13.85,;25.36,-15.35,;23.56,-13.38,;22.42,-14.41,;22.75,-15.92,;21.61,-16.95,;21.94,-18.46,;20.8,-19.49,;21.12,-21,;19.98,-22.03,;22.59,-21.47,;20.96,-13.94,;20.63,-12.44,;19.82,-14.98,;18.35,-14.51,;18.51,-12.97,;17.26,-12.07,;15.79,-12.55,;14.88,-11.31,;15.78,-10.06,;15.46,-8.56,;16.6,-7.52,;18.07,-7.99,;18.39,-9.5,;17.25,-10.53,;17.21,-15.54,;17.54,-17.05,;15.74,-15.07,;14.6,-16.1,;14.93,-17.61,;13.79,-18.64,;14.11,-20.15,;12.97,-21.18,;13.3,-22.69,;12.16,-23.72,;14.77,-23.16,;13.14,-15.63,;12,-16.67,;12.81,-14.13,;13.84,-12.98,;13.06,-11.65,;11.56,-11.98,;11.4,-13.51,;10.07,-14.28,;10.08,-15.82,;8.73,-13.52,;7.4,-14.29,;6.07,-13.53,;4.74,-14.3,;3.4,-13.54,;2.07,-14.31,;.73,-13.55,;7.41,-15.83,;8.75,-16.6,;6.08,-16.61,)|
Show InChI InChI=1S/C77H109N23O13/c1-44(2)36-59(97-69(107)60(38-45-16-4-3-5-17-45)98-70(108)61(39-47-41-89-53-20-8-6-18-50(47)53)92-64(102)43-91-65(103)52(79)37-46-27-29-49(101)30-28-46)68(106)94-55(23-12-32-86-75(80)81)66(104)93-56(24-13-33-87-76(82)83)67(105)99-62(40-48-42-90-54-21-9-7-19-51(48)54)71(109)95-57(25-14-34-88-77(84)85)73(111)100-35-15-26-63(100)72(110)96-58(74(112)113)22-10-11-31-78/h3-9,16-21,27-30,41-42,44,52,55-63,89-90,101H,10-15,22-26,31-40,43,78-79H2,1-2H3,(H,91,103)(H,92,102)(H,93,104)(H,94,106)(H,95,109)(H,96,110)(H,97,107)(H,98,108)(H,99,105)(H,112,113)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t52-,55-,56-,57-,58-,59-,60-,61+,62+,63+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor kappa 1 in rabbit vas deferens.


J Med Chem 29: 1913-7 (1986)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50019483
PNG
(CHEMBL2373008 | NH2-Tyr-Gly-D-Trp-Phe-Leu-Arg-Arg-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:4.4,79.83,54.56,8.8,97.102,wD:93.99,65.67,43.45,30.32,(24.46,-20.68,;24.12,-19.17,;22.65,-18.72,;25.25,-18.13,;24.92,-16.63,;26.05,-15.58,;27.52,-16.04,;27.86,-17.54,;28.65,-14.99,;28.31,-13.49,;26.84,-13.03,;25.6,-13.95,;24.35,-13.07,;24.8,-11.59,;24.02,-10.27,;24.77,-8.93,;26.31,-8.91,;27.1,-10.23,;26.34,-11.58,;30.12,-15.45,;31.25,-14.41,;30.91,-12.9,;32.72,-14.86,;33.85,-13.82,;35.32,-14.27,;35.66,-15.78,;36.45,-13.23,;37.92,-13.69,;39.06,-12.64,;38.72,-11.14,;40.53,-13.1,;40.87,-14.6,;41.66,-12.05,;43.13,-12.51,;44.26,-11.47,;45.73,-11.92,;46.07,-13.43,;47.54,-13.88,;44.94,-14.47,;43.47,-14.01,;23.44,-16.17,;23.11,-14.67,;22.31,-17.21,;20.84,-16.76,;20.5,-15.25,;21.64,-14.21,;21.3,-12.71,;22.43,-11.66,;22.09,-10.16,;23.22,-9.12,;20.62,-9.7,;19.71,-17.8,;20.05,-19.3,;18.24,-17.34,;17.11,-18.39,;17.45,-19.89,;16.32,-20.94,;16.66,-22.44,;15.53,-23.48,;15.87,-24.99,;14.73,-26.03,;17.34,-25.44,;15.64,-17.93,;15.3,-16.43,;14.51,-18.98,;13.04,-18.52,;11.91,-19.56,;10.44,-19.11,;9.94,-17.65,;8.4,-17.67,;7.94,-19.14,;6.55,-19.78,;6.4,-21.32,;7.66,-22.21,;9.06,-21.56,;9.2,-20.03,;12.7,-17.02,;11.23,-16.56,;13.83,-15.97,;13.49,-14.47,;12.02,-14.01,;11.68,-12.51,;10.21,-12.05,;9.87,-10.55,;8.4,-10.09,;8.06,-8.59,;7.27,-11.14,;14.62,-13.43,;16.09,-13.88,;14.28,-11.92,;12.87,-11.31,;13.01,-9.78,;14.51,-9.44,;15.3,-10.77,;16.83,-10.91,;17.48,-12.31,;17.72,-9.65,;19.25,-9.79,;20.14,-8.53,;21.68,-8.68,;22.57,-7.42,;24.1,-7.56,;24.99,-6.3,;19.9,-11.19,;19.01,-12.45,;21.43,-11.33,)|
Show InChI InChI=1S/C70H103N23O13/c1-39(2)31-53(91-63(101)54(33-41-35-82-47-15-5-3-13-44(41)47)86-58(96)38-84-57(95)37-85-59(97)46(72)32-40-22-24-43(94)25-23-40)62(100)88-49(18-9-27-79-68(73)74)60(98)87-50(19-10-28-80-69(75)76)61(99)92-55(34-42-36-83-48-16-6-4-14-45(42)48)64(102)89-51(20-11-29-81-70(77)78)66(104)93-30-12-21-56(93)65(103)90-52(67(105)106)17-7-8-26-71/h3-6,13-16,22-25,35-36,39,46,49-56,82-83,94H,7-12,17-21,26-34,37-38,71-72H2,1-2H3,(H,84,95)(H,85,97)(H,86,96)(H,87,98)(H,88,100)(H,89,102)(H,90,103)(H,91,101)(H,92,99)(H,105,106)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t46-,49-,50-,51-,52-,53-,54+,55+,56+/m0/s1
UniProtKB/SwissProt

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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor mu 1 in guinea pig ileum.


J Med Chem 29: 1913-7 (1986)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50452249
PNG
(CHEMBL2373012)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:72.75,4.4,86.91,61.64,104.110,wD:100.107,23.36,50.53,8.16,37.40,(25.09,-20.82,;25.59,-19.36,;24.58,-18.2,;27.1,-19.07,;27.61,-17.61,;29.12,-17.32,;30.13,-18.49,;29.62,-19.94,;31.64,-18.2,;32.14,-16.74,;31.14,-15.58,;31.64,-14.12,;30.63,-12.96,;29.12,-13.25,;28.62,-14.7,;29.62,-15.87,;32.65,-19.36,;34.16,-19.07,;34.66,-17.61,;35.17,-20.23,;36.68,-19.94,;37.69,-21.11,;37.18,-22.56,;39.2,-20.82,;40.21,-21.98,;39.7,-23.44,;38.23,-23.88,;38.2,-25.42,;39.66,-25.93,;40.26,-27.35,;41.78,-27.54,;42.71,-26.31,;42.11,-24.89,;40.59,-24.7,;39.7,-19.36,;38.7,-18.2,;37.18,-18.49,;39.2,-16.74,;40.71,-16.45,;38.19,-15.58,;38.7,-14.12,;37.69,-12.96,;38.19,-11.5,;39.7,-11.21,;40.21,-9.76,;40.71,-12.38,;40.21,-13.83,;26.6,-16.45,;27.1,-15,;25.09,-16.74,;24.08,-15.58,;24.58,-14.12,;26.09,-13.83,;26.6,-12.38,;28.11,-12.09,;28.62,-10.63,;30.13,-10.34,;27.61,-9.47,;22.57,-15.87,;22.06,-17.32,;21.56,-14.7,;20.05,-15,;19.54,-16.45,;18.03,-16.74,;17.53,-18.2,;16.01,-18.49,;15.51,-19.94,;14,-20.23,;16.52,-21.11,;19.04,-13.83,;19.54,-12.38,;17.53,-14.12,;16.52,-12.96,;17.02,-11.5,;16.01,-10.34,;14.48,-10.47,;13.88,-9.05,;15.04,-8.04,;15.07,-6.5,;16.42,-5.76,;17.74,-6.56,;17.71,-8.1,;16.36,-8.84,;15,-13.25,;14.5,-14.7,;14,-12.09,;12.48,-12.38,;11.98,-13.83,;10.47,-14.12,;9.96,-15.58,;8.45,-15.87,;7.95,-17.32,;6.44,-17.61,;8.96,-18.49,;11.48,-11.21,;11.98,-9.76,;9.96,-11.5,;9.31,-12.9,;7.78,-12.71,;7.49,-11.19,;8.84,-10.45,;9.03,-8.92,;10.45,-8.32,;7.8,-7.99,;7.99,-6.47,;6.76,-5.54,;6.95,-4.01,;5.73,-3.08,;5.92,-1.55,;4.69,-.62,;9.41,-5.87,;10.64,-6.8,;9.6,-4.34,)|
Show InChI InChI=1S/C77H109N23O13/c1-44(2)36-59(98-70(108)60(38-45-16-4-3-5-17-45)92-64(102)43-91-66(104)61(39-47-41-89-53-20-8-6-18-50(47)53)97-65(103)52(79)37-46-27-29-49(101)30-28-46)69(107)94-55(23-12-32-86-75(80)81)67(105)93-56(24-13-33-87-76(82)83)68(106)99-62(40-48-42-90-54-21-9-7-19-51(48)54)71(109)95-57(25-14-34-88-77(84)85)73(111)100-35-15-26-63(100)72(110)96-58(74(112)113)22-10-11-31-78/h3-9,16-21,27-30,41-42,44,52,55-63,89-90,101H,10-15,22-26,31-40,43,78-79H2,1-2H3,(H,91,104)(H,92,102)(H,93,105)(H,94,107)(H,95,109)(H,96,110)(H,97,103)(H,98,108)(H,99,106)(H,112,113)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t52-,55-,56-,57-,58-,59-,60-,61+,62+,63+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor kappa 1 in rabbit vas deferens.


J Med Chem 29: 1913-7 (1986)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50452250
PNG
(CHEMBL2373014)
Show SMILES NCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |wU:16.24,41.51,5.5,wD:9.8,63.78,27.40,52.62,77.90,96.102,(25.1,-5.27,;24.22,-6.52,;22.68,-6.38,;21.79,-7.64,;20.26,-7.5,;19.37,-8.75,;17.84,-8.61,;16.95,-9.87,;17.59,-11.27,;15.41,-9.73,;14.63,-8.41,;13.12,-8.74,;12.98,-10.28,;14.4,-10.89,;14.74,-12.39,;16.21,-12.85,;13.61,-13.43,;12.14,-12.98,;11.8,-11.47,;10.33,-11.02,;9.99,-9.51,;8.52,-9.06,;8.18,-7.56,;7.38,-10.1,;13.95,-14.94,;12.81,-15.98,;11.34,-15.52,;13.15,-17.48,;12.02,-18.53,;10.55,-18.07,;10.06,-16.61,;8.52,-16.63,;8.06,-18.1,;6.66,-18.75,;6.52,-20.28,;7.78,-21.17,;9.18,-20.53,;9.32,-18.99,;14.62,-17.94,;15.76,-16.9,;15.42,-15.39,;17.23,-17.35,;17.57,-18.85,;16.43,-19.9,;16.77,-21.4,;15.64,-22.45,;15.98,-23.95,;14.85,-24.99,;17.45,-24.41,;18.36,-16.31,;19.83,-16.76,;20.17,-18.27,;20.96,-15.72,;20.62,-14.22,;21.75,-13.17,;21.41,-11.67,;22.54,-10.63,;22.2,-9.12,;23.33,-8.08,;20.73,-8.67,;22.43,-16.18,;23.56,-15.13,;23.22,-13.63,;25.03,-15.59,;25.37,-17.09,;24.24,-18.14,;22.73,-17.83,;21.98,-19.18,;23.02,-20.31,;22.88,-21.84,;24.14,-22.73,;25.54,-22.09,;25.68,-20.55,;24.42,-19.67,;26.16,-14.54,;27.63,-15,;27.97,-16.5,;28.76,-13.96,;28.43,-12.45,;26.95,-12,;25.82,-13.04,;24.35,-12.58,;24.01,-11.08,;25.14,-10.04,;26.62,-10.49,;30.23,-14.41,;31.37,-13.37,;31.03,-11.87,;32.84,-13.83,;33.97,-12.78,;35.44,-13.24,;35.78,-14.74,;36.57,-12.19,;38.04,-12.65,;39.17,-11.6,;38.83,-10.1,;40.64,-12.06,;40.98,-13.56,;41.77,-11.02,;43.24,-11.47,;44.38,-10.43,;45.85,-10.89,;46.19,-12.39,;47.66,-12.85,;45.05,-13.43,;43.58,-12.98,;20.01,-10.15,;19.13,-11.41,;21.55,-10.29,)|
Show InChI InChI=1S/C73H101N23O13/c74-29-9-8-20-55(70(108)109)93-68(106)59-24-13-33-96(59)69(107)54(23-12-32-84-73(80)81)92-67(105)58(37-45-39-86-51-19-7-5-17-48(45)51)94-64(102)53(22-11-31-83-72(78)79)90-63(101)52(21-10-30-82-71(76)77)91-66(104)57(36-44-38-85-50-18-6-4-16-47(44)50)95-65(103)56(35-42-14-2-1-3-15-42)89-61(99)41-87-60(98)40-88-62(100)49(75)34-43-25-27-46(97)28-26-43/h1-7,14-19,25-28,38-39,49,52-59,85-86,97H,8-13,20-24,29-37,40-41,74-75H2,(H,87,98)(H,88,100)(H,89,99)(H,90,101)(H,91,104)(H,92,105)(H,93,106)(H,94,102)(H,95,103)(H,108,109)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t49-,52-,53-,54-,55-,56-,57+,58+,59+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor kappa 1 in rabbit vas deferens.


J Med Chem 29: 1913-7 (1986)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50019483
PNG
(CHEMBL2373008 | NH2-Tyr-Gly-D-Trp-Phe-Leu-Arg-Arg-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:4.4,79.83,54.56,8.8,97.102,wD:93.99,65.67,43.45,30.32,(24.46,-20.68,;24.12,-19.17,;22.65,-18.72,;25.25,-18.13,;24.92,-16.63,;26.05,-15.58,;27.52,-16.04,;27.86,-17.54,;28.65,-14.99,;28.31,-13.49,;26.84,-13.03,;25.6,-13.95,;24.35,-13.07,;24.8,-11.59,;24.02,-10.27,;24.77,-8.93,;26.31,-8.91,;27.1,-10.23,;26.34,-11.58,;30.12,-15.45,;31.25,-14.41,;30.91,-12.9,;32.72,-14.86,;33.85,-13.82,;35.32,-14.27,;35.66,-15.78,;36.45,-13.23,;37.92,-13.69,;39.06,-12.64,;38.72,-11.14,;40.53,-13.1,;40.87,-14.6,;41.66,-12.05,;43.13,-12.51,;44.26,-11.47,;45.73,-11.92,;46.07,-13.43,;47.54,-13.88,;44.94,-14.47,;43.47,-14.01,;23.44,-16.17,;23.11,-14.67,;22.31,-17.21,;20.84,-16.76,;20.5,-15.25,;21.64,-14.21,;21.3,-12.71,;22.43,-11.66,;22.09,-10.16,;23.22,-9.12,;20.62,-9.7,;19.71,-17.8,;20.05,-19.3,;18.24,-17.34,;17.11,-18.39,;17.45,-19.89,;16.32,-20.94,;16.66,-22.44,;15.53,-23.48,;15.87,-24.99,;14.73,-26.03,;17.34,-25.44,;15.64,-17.93,;15.3,-16.43,;14.51,-18.98,;13.04,-18.52,;11.91,-19.56,;10.44,-19.11,;9.94,-17.65,;8.4,-17.67,;7.94,-19.14,;6.55,-19.78,;6.4,-21.32,;7.66,-22.21,;9.06,-21.56,;9.2,-20.03,;12.7,-17.02,;11.23,-16.56,;13.83,-15.97,;13.49,-14.47,;12.02,-14.01,;11.68,-12.51,;10.21,-12.05,;9.87,-10.55,;8.4,-10.09,;8.06,-8.59,;7.27,-11.14,;14.62,-13.43,;16.09,-13.88,;14.28,-11.92,;12.87,-11.31,;13.01,-9.78,;14.51,-9.44,;15.3,-10.77,;16.83,-10.91,;17.48,-12.31,;17.72,-9.65,;19.25,-9.79,;20.14,-8.53,;21.68,-8.68,;22.57,-7.42,;24.1,-7.56,;24.99,-6.3,;19.9,-11.19,;19.01,-12.45,;21.43,-11.33,)|
Show InChI InChI=1S/C70H103N23O13/c1-39(2)31-53(91-63(101)54(33-41-35-82-47-15-5-3-13-44(41)47)86-58(96)38-84-57(95)37-85-59(97)46(72)32-40-22-24-43(94)25-23-40)62(100)88-49(18-9-27-79-68(73)74)60(98)87-50(19-10-28-80-69(75)76)61(99)92-55(34-42-36-83-48-16-6-4-14-45(42)48)64(102)89-51(20-11-29-81-70(77)78)66(104)93-30-12-21-56(93)65(103)90-52(67(105)106)17-7-8-26-71/h3-6,13-16,22-25,35-36,39,46,49-56,82-83,94H,7-12,17-21,26-34,37-38,71-72H2,1-2H3,(H,84,95)(H,85,97)(H,86,96)(H,87,98)(H,88,100)(H,89,102)(H,90,103)(H,91,101)(H,92,99)(H,105,106)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t46-,49-,50-,51-,52-,53-,54+,55+,56+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor kappa 1 in rabbit vas deferens.


J Med Chem 29: 1913-7 (1986)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50019487
PNG
(CHEMBL2373013 | NH2-Tyr-D-Trp-Gly-D-Trp-Leu-Arg-Ar...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:103.111,4.4,26.40,89.95,64.68,8.8,wD:75.79,53.57,107.114,40.44,(34.18,-21.17,;33.84,-19.67,;32.37,-19.21,;34.97,-18.62,;34.63,-17.12,;35.76,-16.08,;37.23,-16.53,;37.57,-18.04,;38.36,-15.49,;38.02,-13.99,;36.55,-13.53,;35.32,-14.45,;34.06,-13.56,;34.52,-12.09,;33.73,-10.77,;34.49,-9.42,;36.03,-9.4,;36.81,-10.73,;36.06,-12.07,;39.83,-15.95,;40.97,-14.9,;40.63,-13.4,;42.44,-15.36,;43.57,-14.31,;45.04,-14.77,;45.38,-16.27,;46.17,-13.73,;45.83,-12.22,;44.36,-11.77,;43.12,-12.69,;41.87,-11.8,;42.32,-10.33,;41.54,-9,;42.29,-7.66,;43.83,-7.64,;44.62,-8.96,;43.86,-10.31,;47.64,-14.18,;48.77,-13.14,;48.43,-11.64,;50.24,-13.59,;50.58,-15.1,;51.37,-12.55,;52.84,-13.01,;53.97,-11.96,;55.44,-12.42,;55.78,-13.92,;57.25,-14.38,;54.65,-14.97,;53.18,-14.51,;33.16,-16.66,;32.82,-15.16,;32.03,-17.71,;30.56,-17.25,;30.22,-15.75,;31.35,-14.7,;31.01,-13.2,;32.14,-12.16,;31.8,-10.66,;32.93,-9.61,;30.33,-10.2,;29.43,-18.3,;29.77,-19.8,;27.96,-17.84,;26.83,-18.88,;27.16,-20.39,;26.03,-21.43,;26.37,-22.93,;25.24,-23.98,;25.58,-25.48,;24.45,-26.53,;27.05,-25.94,;25.35,-18.43,;25.02,-16.93,;24.22,-19.47,;22.75,-19.02,;21.62,-20.06,;20.15,-19.6,;19.66,-18.14,;18.12,-18.16,;17.66,-19.63,;16.26,-20.28,;16.12,-21.81,;17.38,-22.7,;18.78,-22.06,;18.92,-20.52,;22.41,-17.51,;20.94,-17.06,;23.54,-16.47,;23.21,-14.97,;21.73,-14.51,;21.4,-13.01,;19.92,-12.55,;19.59,-11.05,;18.11,-10.59,;17.78,-9.09,;16.98,-11.64,;24.34,-13.92,;24,-12.42,;25.81,-14.38,;26.3,-15.84,;27.84,-15.82,;28.3,-14.35,;27.04,-13.46,;27.02,-11.92,;25.68,-11.16,;28.35,-11.13,;28.33,-9.59,;29.65,-8.8,;29.63,-7.26,;30.95,-6.48,;30.93,-4.94,;32.26,-4.15,;26.98,-8.84,;25.66,-9.62,;26.96,-7.3,)|
Show InChI InChI=1S/C79H110N24O13/c1-44(2)35-61(101-72(111)63(38-47-41-92-55-19-7-4-16-51(47)55)95-66(105)43-94-68(107)62(37-46-40-91-54-18-6-3-15-50(46)54)100-67(106)53(81)36-45-26-28-49(104)29-27-45)71(110)97-57(22-11-31-88-77(82)83)69(108)96-58(23-12-32-89-78(84)85)70(109)102-64(39-48-42-93-56-20-8-5-17-52(48)56)73(112)98-59(24-13-33-90-79(86)87)75(114)103-34-14-25-65(103)74(113)99-60(76(115)116)21-9-10-30-80/h3-8,15-20,26-29,40-42,44,53,57-65,91-93,104H,9-14,21-25,30-39,43,80-81H2,1-2H3,(H,94,107)(H,95,105)(H,96,108)(H,97,110)(H,98,112)(H,99,113)(H,100,106)(H,101,111)(H,102,109)(H,115,116)(H4,82,83,88)(H4,84,85,89)(H4,86,87,90)/t53-,57-,58-,59-,60-,61-,62+,63+,64+,65+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor kappa 1 in rabbit vas deferens.


J Med Chem 29: 1913-7 (1986)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%