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142 similar compounds to monomer 50240339

Compile data set for download or QSAR
Wt: 1516.7
BDBM50070370
Wt: 1490.7
BDBM50070369
Wt: 1792.0
BDBM50125578
Wt: 1644.9
BDBM85489
Wt: 1474.7
BDBM50019483
Wt: 2148.4
BDBM50019481
Wt: 1564.8
BDBM50452248
Wt: 1564.8
BDBM50452249
Wt: 1435.6
BDBM50019480
Wt: 1603.8
BDBM50019487
Wt: 1508.7
BDBM50452250
Wt: 961.1
BDBM50452577
Wt: 986.2
BDBM50405787
Wt: 1034.2
BDBM50405781
Wt: 980.1
BDBM50405775
Displayed 1 to 15 (of 141 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 50 hits for monomerid = 50070370,50070369,50125578,85489,50019483,50019481,50452248,50452249,50019480,50019487,50452250,50452577,50405787,50405781,50405775   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
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
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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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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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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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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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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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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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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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)


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


(Rattus norvegicus)
BDBM50405781
PNG
(CHEMBL2369814)
Show SMILES CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C53H71N13O9/c1-4-57-51(74)45-16-10-22-66(45)52(75)40(15-9-21-58-53(55)56)61-47(70)41(23-30(2)3)62-49(72)43(26-33-28-60-39-14-8-6-12-36(33)39)64-48(71)42(24-31-17-19-34(68)20-18-31)63-50(73)44(29-67)65-46(69)37(54)25-32-27-59-38-13-7-5-11-35(32)38/h5-8,11-14,17-20,27-28,30,37,40-45,59-60,67-68H,4,9-10,15-16,21-26,29,54H2,1-3H3,(H,57,74)(H,61,70)(H,62,72)(H,63,73)(H,64,71)(H,65,69)(H4,55,56,58)/t37-,40-,41-,42-,43+,44-,45-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
In vitro binding affinity for Luteinizing hormone releasing hormone receptor from rat pituitary cells, expressed as negative logarithm of the equilib...


J Med Chem 32: 2340-4 (1989)


Article DOI: 10.1021/jm00130a019
BindingDB Entry DOI: 10.7270/Q2H70H1B
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
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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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)


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


(Rattus norvegicus)
BDBM50405775
PNG
(CHEMBL2369806)
Show SMILES CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C51H69N11O9/c1-4-54-49(70)43-17-11-25-62(43)50(71)38(16-10-24-55-51(52)53)58-45(66)39(26-31(2)3)59-46(67)40(27-32-12-6-5-7-13-32)60-47(68)41(28-33-18-21-35(64)22-19-33)61-48(69)42(30-63)57-44(65)23-20-34-29-56-37-15-9-8-14-36(34)37/h5-9,12-15,18-19,21-22,29,31,38-43,56,63-64H,4,10-11,16-17,20,23-28,30H2,1-3H3,(H,54,70)(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,61,69)(H4,52,53,55)/t38-,39-,40+,41-,42-,43-/m0/s1
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17n/an/an/an/an/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
In vitro binding affinity for Luteinizing hormone releasing hormone receptor from rat pituitary cells, expressed as negative logarithm of the equilib...


J Med Chem 32: 2340-4 (1989)


Article DOI: 10.1021/jm00130a019
BindingDB Entry DOI: 10.7270/Q2H70H1B
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
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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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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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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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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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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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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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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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)


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


(Rattus norvegicus)
BDBM50405787
PNG
(CHEMBL2369808)
Show SMILES CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C51H75N11O9/c1-4-54-49(70)43-17-11-25-62(43)50(71)38(16-10-24-55-51(52)53)58-45(66)39(26-31(2)3)59-46(67)40(27-32-12-6-5-7-13-32)60-47(68)41(28-33-18-21-35(64)22-19-33)61-48(69)42(30-63)57-44(65)23-20-34-29-56-37-15-9-8-14-36(34)37/h8-9,14-15,18-19,21-22,29,31-32,38-43,56,63-64H,4-7,10-13,16-17,20,23-28,30H2,1-3H3,(H,54,70)(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,61,69)(H4,52,53,55)/t38-,39-,40+,41-,42-,43-/m0/s1
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42n/an/an/an/an/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
In vitro binding affinity for Luteinizing hormone releasing hormone receptor from rat pituitary cells, expressed as negative logarithm of the equilib...


J Med Chem 32: 2340-4 (1989)


Article DOI: 10.1021/jm00130a019
BindingDB Entry DOI: 10.7270/Q2H70H1B
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
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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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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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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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)


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


(Homo sapiens (Human))
BDBM50070370
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Pro-Pro(trans-CH2-...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC(Cc2ccccc2)[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C78H105N19O13/c79-36-13-12-27-57(90-72(105)61-28-15-38-94(61)74(107)53(80)25-14-37-86-78(84)85)75(108)95-39-16-29-62(95)71(104)89-56(32-34-65(82)99)68(101)88-55(31-33-64(81)98)69(102)92-59(43-48-20-6-2-7-21-48)70(103)93-60(44-49-22-8-3-9-23-49)76(109)96-40-17-30-63(96)77(110)97-41-35-50(42-47-18-4-1-5-19-47)66(97)73(106)91-58(67(83)100)45-51-46-87-54-26-11-10-24-52(51)54/h1-11,18-24,26,46,50,53,55-63,66,87H,12-17,25,27-45,79-80H2,(H2,81,98)(H2,82,99)(H2,83,100)(H,88,101)(H,89,104)(H,90,105)(H,91,106)(H,92,102)(H,93,103)(H4,84,85,86)/t50?,53-,55-,56-,57-,58-,59-,60-,61-,62-,63-,66-/m0/s1
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79n/an/an/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards human tachykinin NK-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 8: 1369-74 (1999)


Article DOI: 10.1016/s0960-894x(98)00219-4
BindingDB Entry DOI: 10.7270/Q2M32W9S
More data for this
Ligand-Target Pair
Luteinizing hormone/Choriogonadotropin receptor


(Rattus norvegicus)
BDBM50452577
PNG
(CHEMBL2369794)
Show SMILES CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C48H72N12O9/c1-6-52-46(68)40-14-10-20-60(40)47(69)35(13-9-19-53-48(50)51)55-42(64)36(21-27(2)3)56-43(65)37(22-28(4)5)57-44(66)38(23-29-15-17-31(62)18-16-29)58-45(67)39(26-61)59-41(63)33(49)24-30-25-54-34-12-8-7-11-32(30)34/h7-8,11-12,15-18,25,27-28,33,35-40,54,61-62H,6,9-10,13-14,19-24,26,49H2,1-5H3,(H,52,68)(H,55,64)(H,56,65)(H,57,66)(H,58,67)(H,59,63)(H4,50,51,53)/t33-,35-,36-,37+,38-,39-,40-/m0/s1
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85n/an/an/an/an/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
In vitro binding affinity for Luteinizing hormone releasing hormone receptor from rat pituitary cells, expressed as negative logarithm of the equilib...


J Med Chem 32: 2340-4 (1989)


Article DOI: 10.1021/jm00130a019
BindingDB Entry DOI: 10.7270/Q2H70H1B
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
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)


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


(Homo sapiens (Human))
BDBM50070369
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Pro-MePhe-Trp-NH2 ...)
Show SMILES CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N
Show InChI InChI=1S/C76H103N19O13/c1-92(62(43-48-23-9-4-10-24-48)71(104)89-56(65(81)98)44-49-45-85-52-27-12-11-25-50(49)52)75(108)61-31-18-40-95(61)74(107)58(42-47-21-7-3-8-22-47)91-68(101)57(41-46-19-5-2-6-20-46)90-67(100)53(32-34-63(79)96)86-66(99)54(33-35-64(80)97)87-69(102)60-30-17-39-94(60)73(106)55(28-13-14-36-77)88-70(103)59-29-16-38-93(59)72(105)51(78)26-15-37-84-76(82)83/h2-12,19-25,27,45,51,53-62,85H,13-18,26,28-44,77-78H2,1H3,(H2,79,96)(H2,80,97)(H2,81,98)(H,86,99)(H,87,102)(H,88,103)(H,89,104)(H,90,100)(H,91,101)(H4,82,83,84)/t51-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1
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110n/an/an/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards human tachykinin NK-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 8: 1369-74 (1999)


Article DOI: 10.1016/s0960-894x(98)00219-4
BindingDB Entry DOI: 10.7270/Q2M32W9S
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
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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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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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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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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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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85489
PNG
(DPhe6,12,Leu14-Bn)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C80H117N21O17/c1-42(2)33-56(68(83)107)97-76(115)58(35-44(5)6)99-78(117)60(37-48-21-14-11-15-22-48)93-66(106)41-89-79(118)67(45(7)8)101-69(108)46(9)90-75(114)61(38-49-39-87-51-24-17-16-23-50(49)51)100-74(113)55(27-30-63(82)103)96-77(116)59(36-47-19-12-10-13-20-47)92-65(105)40-88-70(109)57(34-43(3)4)98-71(110)52(25-18-32-86-80(84)85)94-73(112)54(26-29-62(81)102)95-72(111)53-28-31-64(104)91-53/h10-17,19-24,39,42-46,52-61,67,87H,18,25-38,40-41H2,1-9H3,(H2,81,102)(H2,82,103)(H2,83,107)(H,88,109)(H,89,118)(H,90,114)(H,91,104)(H,92,105)(H,93,106)(H,94,112)(H,95,111)(H,96,116)(H,97,115)(H,98,110)(H,99,117)(H,100,113)(H,101,108)(H4,84,85,86)/t46-,52-,53-,54-,55-,56-,57-,58-,59+,60-,61-,67-/m0/s1
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430n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochemistry 38: 7307-20 (1999)


Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG
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
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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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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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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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)


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


(RAT)
BDBM85489
PNG
(DPhe6,12,Leu14-Bn)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C80H117N21O17/c1-42(2)33-56(68(83)107)97-76(115)58(35-44(5)6)99-78(117)60(37-48-21-14-11-15-22-48)93-66(106)41-89-79(118)67(45(7)8)101-69(108)46(9)90-75(114)61(38-49-39-87-51-24-17-16-23-50(49)51)100-74(113)55(27-30-63(82)103)96-77(116)59(36-47-19-12-10-13-20-47)92-65(105)40-88-70(109)57(34-43(3)4)98-71(110)52(25-18-32-86-80(84)85)94-73(112)54(26-29-62(81)102)95-72(111)53-28-31-64(104)91-53/h10-17,19-24,39,42-46,52-61,67,87H,18,25-38,40-41H2,1-9H3,(H2,81,102)(H2,82,103)(H2,83,107)(H,88,109)(H,89,118)(H,90,114)(H,91,104)(H,92,105)(H,93,106)(H,94,112)(H,95,111)(H,96,116)(H,97,115)(H,98,110)(H,99,117)(H,100,113)(H,101,108)(H4,84,85,86)/t46-,52-,53-,54-,55-,56-,57-,58-,59+,60-,61-,67-/m0/s1
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2.30E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochemistry 38: 7307-20 (1999)


Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG
More data for this
Ligand-Target Pair
Bombesin 4


(Frog)
BDBM85489
PNG
(DPhe6,12,Leu14-Bn)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C80H117N21O17/c1-42(2)33-56(68(83)107)97-76(115)58(35-44(5)6)99-78(117)60(37-48-21-14-11-15-22-48)93-66(106)41-89-79(118)67(45(7)8)101-69(108)46(9)90-75(114)61(38-49-39-87-51-24-17-16-23-50(49)51)100-74(113)55(27-30-63(82)103)96-77(116)59(36-47-19-12-10-13-20-47)92-65(105)40-88-70(109)57(34-43(3)4)98-71(110)52(25-18-32-86-80(84)85)94-73(112)54(26-29-62(81)102)95-72(111)53-28-31-64(104)91-53/h10-17,19-24,39,42-46,52-61,67,87H,18,25-38,40-41H2,1-9H3,(H2,81,102)(H2,82,103)(H2,83,107)(H,88,109)(H,89,118)(H,90,114)(H,91,104)(H,92,105)(H,93,106)(H,94,112)(H,95,111)(H,96,116)(H,97,115)(H,98,110)(H,99,117)(H,100,113)(H,101,108)(H4,84,85,86)/t46-,52-,53-,54-,55-,56-,57-,58-,59+,60-,61-,67-/m0/s1
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2.51E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochemistry 38: 7307-20 (1999)


Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG
More data for this
Ligand-Target Pair
BRS3


(Homo sapiens (Human))
BDBM85489
PNG
(DPhe6,12,Leu14-Bn)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C80H117N21O17/c1-42(2)33-56(68(83)107)97-76(115)58(35-44(5)6)99-78(117)60(37-48-21-14-11-15-22-48)93-66(106)41-89-79(118)67(45(7)8)101-69(108)46(9)90-75(114)61(38-49-39-87-51-24-17-16-23-50(49)51)100-74(113)55(27-30-63(82)103)96-77(116)59(36-47-19-12-10-13-20-47)92-65(105)40-88-70(109)57(34-43(3)4)98-71(110)52(25-18-32-86-80(84)85)94-73(112)54(26-29-62(81)102)95-72(111)53-28-31-64(104)91-53/h10-17,19-24,39,42-46,52-61,67,87H,18,25-38,40-41H2,1-9H3,(H2,81,102)(H2,82,103)(H2,83,107)(H,88,109)(H,89,118)(H,90,114)(H,91,104)(H,92,105)(H,93,106)(H,94,112)(H,95,111)(H,96,116)(H,97,115)(H,98,110)(H,99,117)(H,100,113)(H,101,108)(H4,84,85,86)/t46-,52-,53-,54-,55-,56-,57-,58-,59+,60-,61-,67-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochemistry 38: 7307-20 (1999)


Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG
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
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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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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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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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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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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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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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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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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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 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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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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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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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 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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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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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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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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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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50125578
PNG
(CHEMBL3037876 | QETAYFLLKLAGRWP-CONH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C86H130N22O20/c1-45(2)37-61(79(122)96-48(7)73(116)95-44-69(112)98-58(24-17-35-93-86(91)92)76(119)106-66(85(128)108-36-18-25-67(108)72(90)115)42-53-43-94-57-22-14-13-21-55(53)57)102-77(120)59(23-15-16-34-87)100-80(123)62(38-46(3)4)103-81(124)63(39-47(5)6)104-83(126)65(40-51-19-11-10-12-20-51)105-82(125)64(41-52-26-28-54(110)29-27-52)101-74(117)49(8)97-84(127)71(50(9)109)107-78(121)60(31-33-70(113)114)99-75(118)56(88)30-32-68(89)111/h10-14,19-22,26-29,43,45-50,56,58-67,71,94,109-110H,15-18,23-25,30-42,44,87-88H2,1-9H3,(H2,89,111)(H2,90,115)(H,95,116)(H,96,122)(H,97,127)(H,98,112)(H,99,118)(H,100,123)(H,101,117)(H,102,120)(H,103,124)(H,104,126)(H,105,125)(H,106,119)(H,107,121)(H,113,114)(H4,91,92,93)/t48-,49-,50+,56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,71-/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against HIV-1 integrase


Bioorg Med Chem Lett 13: 1175-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00040-4
BindingDB Entry DOI: 10.7270/Q2R78DKG
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
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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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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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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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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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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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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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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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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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 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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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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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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
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
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)


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