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143 similar compounds to monomer 50010702

Compile data set for download or QSAR
Wt: 1302.4
BDBM26349
Wt: 1792.0
BDBM50125578
Wt: 2272.5
BDBM86148
Wt: 2828.2
BDBM85068
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: 3418.7
BDBM50454201
Wt: 3420.7
BDBM50051585
Wt: 3358.6
BDBM50059356
Wt: 3324.6
BDBM50059364
Displayed 1 to 15 (of 143 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 70 hits for monomerid = 26349,50125578,86148,85068,50019483,50019481,50452248,50452249,50019480,50019487,50452250,50454201,50051585,50059356,50059364   
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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM26349
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyp...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C63H83N17O14/c1-34(2)24-45(58(90)74-43(18-11-23-70-63(68)69)57(89)75-44(54(67)86)26-35-12-5-3-6-13-35)73-53(85)32-72-56(88)46(27-36-14-7-4-8-15-36)77-62(94)50(33-81)80-61(93)49(30-52(66)84)79-59(91)47(28-38-31-71-42-17-10-9-16-40(38)42)78-60(92)48(29-51(65)83)76-55(87)41(64)25-37-19-21-39(82)22-20-37/h3-10,12-17,19-22,31,34,41,43-50,71,81-82H,11,18,23-30,32-33,64H2,1-2H3,(H2,65,83)(H2,66,84)(H2,67,86)(H,72,88)(H,73,85)(H,74,90)(H,75,89)(H,76,87)(H,77,94)(H,78,92)(H,79,91)(H,80,93)(H4,68,69,70)/t41-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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0.0390n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human KISS1R expressed in CHO cell membranes


J Med Chem 56: 8298-307 (2013)


Article DOI: 10.1021/jm401056w
BindingDB Entry DOI: 10.7270/Q25M675S
More data for this
Ligand-Target Pair
mu/kappa 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
KiSS-1 receptor


(Rattus norvegicus)
BDBM26349
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyp...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C63H83N17O14/c1-34(2)24-45(58(90)74-43(18-11-23-70-63(68)69)57(89)75-44(54(67)86)26-35-12-5-3-6-13-35)73-53(85)32-72-56(88)46(27-36-14-7-4-8-15-36)77-62(94)50(33-81)80-61(93)49(30-52(66)84)79-59(91)47(28-38-31-71-42-17-10-9-16-40(38)42)78-60(92)48(29-51(65)83)76-55(87)41(64)25-37-19-21-39(82)22-20-37/h3-10,12-17,19-22,31,34,41,43-50,71,81-82H,11,18,23-30,32-33,64H2,1-2H3,(H2,65,83)(H2,66,84)(H2,67,86)(H,72,88)(H,73,85)(H,74,90)(H,75,89)(H,76,87)(H,77,94)(H,78,92)(H,79,91)(H,80,93)(H4,68,69,70)/t41-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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0.0570n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Binding affinity to rat KISS1R


J Med Chem 56: 8298-307 (2013)


Article DOI: 10.1021/jm401056w
BindingDB Entry DOI: 10.7270/Q25M675S
More data for this
Ligand-Target Pair
mu/kappa 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
Galanin receptor 2


(RAT)
BDBM85068
PNG
(Gal(1-13)-Std I)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)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](Cc1c[nH]c2ccccc12)C(=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C138H199N35O30/c1-72(2)54-96(161-122(188)97(55-73(3)4)162-125(191)101(60-80-41-43-84(176)44-42-80)155-114(181)69-151-117(183)77(11)153-131(197)106(71-174)168-127(193)105(64-112(144)179)166-124(190)99(57-75(7)8)167-135(201)116(78(12)175)169-128(194)102(154-113(180)65-140)61-81-66-148-89-33-19-16-30-85(81)89)119(185)152-70-115(182)171-51-25-38-107(171)132(198)159-95(37-24-50-147-138(145)146)137(203)173-53-27-40-109(173)134(200)158-94(36-22-23-49-139)136(202)172-52-26-39-108(172)133(199)157-93(46-48-111(143)178)120(186)156-92(45-47-110(142)177)121(187)165-104(63-83-68-150-91-35-21-18-32-87(83)91)130(196)170-129(195)100(58-76(9)10)164-123(189)98(56-74(5)6)163-126(192)103(62-82-67-149-90-34-20-17-31-86(82)90)160-118(184)88(141)59-79-28-14-13-15-29-79/h13-21,28-35,41-44,66-68,72-78,88,92-109,116,148-150,174-176H,22-27,36-40,45-65,69-71,139-141H2,1-12H3,(H2,142,177)(H2,143,178)(H2,144,179)(H,151,183)(H,152,185)(H,153,197)(H,154,180)(H,155,181)(H,156,186)(H,157,199)(H,158,200)(H,159,198)(H,160,184)(H,161,188)(H,162,191)(H,163,192)(H,164,189)(H,165,187)(H,166,190)(H,167,201)(H,168,193)(H,169,194)(H4,145,146,147)(H,170,195,196)/t77-,78+,88-,92-,93-,94-,95+,96-,97-,98-,99-,100-,101-,102-,103+,104+,105-,106-,107-,108-,109-,116-/m0/s1
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0.560n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 273: 23321-6 (1998)


Article DOI: 10.1074/jbc.273.36.23321
BindingDB Entry DOI: 10.7270/Q22N50TF
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
Galanin receptor 2


(Homo sapiens (Human))
BDBM85068
PNG
(Gal(1-13)-Std I)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)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](Cc1c[nH]c2ccccc12)C(=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C138H199N35O30/c1-72(2)54-96(161-122(188)97(55-73(3)4)162-125(191)101(60-80-41-43-84(176)44-42-80)155-114(181)69-151-117(183)77(11)153-131(197)106(71-174)168-127(193)105(64-112(144)179)166-124(190)99(57-75(7)8)167-135(201)116(78(12)175)169-128(194)102(154-113(180)65-140)61-81-66-148-89-33-19-16-30-85(81)89)119(185)152-70-115(182)171-51-25-38-107(171)132(198)159-95(37-24-50-147-138(145)146)137(203)173-53-27-40-109(173)134(200)158-94(36-22-23-49-139)136(202)172-52-26-39-108(172)133(199)157-93(46-48-111(143)178)120(186)156-92(45-47-110(142)177)121(187)165-104(63-83-68-150-91-35-21-18-32-87(83)91)130(196)170-129(195)100(58-76(9)10)164-123(189)98(56-74(5)6)163-126(192)103(62-82-67-149-90-34-20-17-31-86(82)90)160-118(184)88(141)59-79-28-14-13-15-29-79/h13-21,28-35,41-44,66-68,72-78,88,92-109,116,148-150,174-176H,22-27,36-40,45-65,69-71,139-141H2,1-12H3,(H2,142,177)(H2,143,178)(H2,144,179)(H,151,183)(H,152,185)(H,153,197)(H,154,180)(H,155,181)(H,156,186)(H,157,199)(H,158,200)(H,159,198)(H,160,184)(H,161,188)(H,162,191)(H,163,192)(H,164,189)(H,165,187)(H,166,190)(H,167,201)(H,168,193)(H,169,194)(H4,145,146,147)(H,170,195,196)/t77-,78+,88-,92-,93-,94-,95+,96-,97-,98-,99-,100-,101-,102-,103+,104+,105-,106-,107-,108-,109-,116-/m0/s1
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0.630n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




Peptides 19: 1771-81 (1998)


Article DOI: 10.1111/cbdd.12604
BindingDB Entry DOI: 10.7270/Q2NC5ZQ6
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM86148
PNG
(CAS_222988-10-5 | PrRP20)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C104H158N32O26/c1-10-53(5)82(97(158)124-66(29-19-39-116-104(112)113)99(160)134-40-21-32-74(134)94(155)131-81(52(3)4)95(156)119-49-77(142)123-65(28-18-38-115-103(110)111)88(149)125-67(85(107)146)43-58-23-13-12-14-24-58)130-78(143)51-118-87(148)64(27-17-37-114-102(108)109)122-76(141)50-120-96(157)84(57(9)138)133-90(151)68(44-59-33-35-61(139)36-34-59)127-89(150)69(45-60-48-117-63-26-16-15-25-62(60)63)126-86(147)55(7)121-92(153)72-30-20-41-135(72)100(161)71(46-75(105)140)129-98(159)83(54(6)11-2)132-91(152)70(47-79(144)145)128-93(154)73-31-22-42-136(73)101(162)80(106)56(8)137/h12-16,23-26,33-36,48,52-57,64-74,80-84,117,137-139H,10-11,17-22,27-32,37-47,49-51,106H2,1-9H3,(H2,105,140)(H2,107,146)(H,118,148)(H,119,156)(H,120,157)(H,121,153)(H,122,141)(H,123,142)(H,124,158)(H,125,149)(H,126,147)(H,127,150)(H,128,154)(H,129,159)(H,130,143)(H,131,155)(H,132,152)(H,133,151)(H,144,145)(H4,108,109,114)(H4,110,111,115)(H4,112,113,116)/t53-,54-,55-,56+,57+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,80-,81-,82-,83-,84-/m0/s1
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1n/an/an/an/an/an/an/an/a



Juvantia Pharma, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 825-32 (2003)


Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM26349
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyp...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C63H83N17O14/c1-34(2)24-45(58(90)74-43(18-11-23-70-63(68)69)57(89)75-44(54(67)86)26-35-12-5-3-6-13-35)73-53(85)32-72-56(88)46(27-36-14-7-4-8-15-36)77-62(94)50(33-81)80-61(93)49(30-52(66)84)79-59(91)47(28-38-31-71-42-17-10-9-16-40(38)42)78-60(92)48(29-51(65)83)76-55(87)41(64)25-37-19-21-39(82)22-20-37/h3-10,12-17,19-22,31,34,41,43-50,71,81-82H,11,18,23-30,32-33,64H2,1-2H3,(H2,65,83)(H2,66,84)(H2,67,86)(H,72,88)(H,73,85)(H,74,90)(H,75,89)(H,76,87)(H,77,94)(H,78,92)(H,79,91)(H,80,93)(H4,68,69,70)/t41-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



University of Minnesota Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [125]metastin from metastin receptor


J Med Chem 50: 462-71 (2007)


Article DOI: 10.1021/jm0609824
BindingDB Entry DOI: 10.7270/Q2HT2P0K
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
NPFF


(RAT)
BDBM86148
PNG
(CAS_222988-10-5 | PrRP20)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C104H158N32O26/c1-10-53(5)82(97(158)124-66(29-19-39-116-104(112)113)99(160)134-40-21-32-74(134)94(155)131-81(52(3)4)95(156)119-49-77(142)123-65(28-18-38-115-103(110)111)88(149)125-67(85(107)146)43-58-23-13-12-14-24-58)130-78(143)51-118-87(148)64(27-17-37-114-102(108)109)122-76(141)50-120-96(157)84(57(9)138)133-90(151)68(44-59-33-35-61(139)36-34-59)127-89(150)69(45-60-48-117-63-26-16-15-25-62(60)63)126-86(147)55(7)121-92(153)72-30-20-41-135(72)100(161)71(46-75(105)140)129-98(159)83(54(6)11-2)132-91(152)70(47-79(144)145)128-93(154)73-31-22-42-136(73)101(162)80(106)56(8)137/h12-16,23-26,33-36,48,52-57,64-74,80-84,117,137-139H,10-11,17-22,27-32,37-47,49-51,106H2,1-9H3,(H2,105,140)(H2,107,146)(H,118,148)(H,119,156)(H,120,157)(H,121,153)(H,122,141)(H,123,142)(H,124,158)(H,125,149)(H,126,147)(H,127,150)(H,128,154)(H,129,159)(H,130,143)(H,131,155)(H,132,152)(H,133,151)(H,144,145)(H4,108,109,114)(H4,110,111,115)(H4,112,113,116)/t53-,54-,55-,56+,57+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,80-,81-,82-,83-,84-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Juvantia Pharma, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 825-32 (2003)


Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2
More data for this
Ligand-Target Pair
GALR3


(RAT)
BDBM85068
PNG
(Gal(1-13)-Std I)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)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](Cc1c[nH]c2ccccc12)C(=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C138H199N35O30/c1-72(2)54-96(161-122(188)97(55-73(3)4)162-125(191)101(60-80-41-43-84(176)44-42-80)155-114(181)69-151-117(183)77(11)153-131(197)106(71-174)168-127(193)105(64-112(144)179)166-124(190)99(57-75(7)8)167-135(201)116(78(12)175)169-128(194)102(154-113(180)65-140)61-81-66-148-89-33-19-16-30-85(81)89)119(185)152-70-115(182)171-51-25-38-107(171)132(198)159-95(37-24-50-147-138(145)146)137(203)173-53-27-40-109(173)134(200)158-94(36-22-23-49-139)136(202)172-52-26-39-108(172)133(199)157-93(46-48-111(143)178)120(186)156-92(45-47-110(142)177)121(187)165-104(63-83-68-150-91-35-21-18-32-87(83)91)130(196)170-129(195)100(58-76(9)10)164-123(189)98(56-74(5)6)163-126(192)103(62-82-67-149-90-34-20-17-31-86(82)90)160-118(184)88(141)59-79-28-14-13-15-29-79/h13-21,28-35,41-44,66-68,72-78,88,92-109,116,148-150,174-176H,22-27,36-40,45-65,69-71,139-141H2,1-12H3,(H2,142,177)(H2,143,178)(H2,144,179)(H,151,183)(H,152,185)(H,153,197)(H,154,180)(H,155,181)(H,156,186)(H,157,199)(H,158,200)(H,159,198)(H,160,184)(H,161,188)(H,162,191)(H,163,192)(H,164,189)(H,165,187)(H,166,190)(H,167,201)(H,168,193)(H,169,194)(H4,145,146,147)(H,170,195,196)/t77-,78+,88-,92-,93-,94-,95+,96-,97-,98-,99-,100-,101-,102-,103+,104+,105-,106-,107-,108-,109-,116-/m0/s1
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4.47n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 273: 23321-6 (1998)


Article DOI: 10.1074/jbc.273.36.23321
BindingDB Entry DOI: 10.7270/Q22N50TF
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
Galanin receptor 3


(Homo sapiens (Human))
BDBM85068
PNG
(Gal(1-13)-Std I)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)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](Cc1c[nH]c2ccccc12)C(=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C138H199N35O30/c1-72(2)54-96(161-122(188)97(55-73(3)4)162-125(191)101(60-80-41-43-84(176)44-42-80)155-114(181)69-151-117(183)77(11)153-131(197)106(71-174)168-127(193)105(64-112(144)179)166-124(190)99(57-75(7)8)167-135(201)116(78(12)175)169-128(194)102(154-113(180)65-140)61-81-66-148-89-33-19-16-30-85(81)89)119(185)152-70-115(182)171-51-25-38-107(171)132(198)159-95(37-24-50-147-138(145)146)137(203)173-53-27-40-109(173)134(200)158-94(36-22-23-49-139)136(202)172-52-26-39-108(172)133(199)157-93(46-48-111(143)178)120(186)156-92(45-47-110(142)177)121(187)165-104(63-83-68-150-91-35-21-18-32-87(83)91)130(196)170-129(195)100(58-76(9)10)164-123(189)98(56-74(5)6)163-126(192)103(62-82-67-149-90-34-20-17-31-86(82)90)160-118(184)88(141)59-79-28-14-13-15-29-79/h13-21,28-35,41-44,66-68,72-78,88,92-109,116,148-150,174-176H,22-27,36-40,45-65,69-71,139-141H2,1-12H3,(H2,142,177)(H2,143,178)(H2,144,179)(H,151,183)(H,152,185)(H,153,197)(H,154,180)(H,155,181)(H,156,186)(H,157,199)(H,158,200)(H,159,198)(H,160,184)(H,161,188)(H,162,191)(H,163,192)(H,164,189)(H,165,187)(H,166,190)(H,167,201)(H,168,193)(H,169,194)(H4,145,146,147)(H,170,195,196)/t77-,78+,88-,92-,93-,94-,95+,96-,97-,98-,99-,100-,101-,102-,103+,104+,105-,106-,107-,108-,109-,116-/m0/s1
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8.13n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




Peptides 19: 1771-81 (1998)


Article DOI: 10.1111/cbdd.12604
BindingDB Entry DOI: 10.7270/Q2NC5ZQ6
More data for this
Ligand-Target Pair
Galanin receptor 3


(Homo sapiens (Human))
BDBM85068
PNG
(Gal(1-13)-Std I)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)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](Cc1c[nH]c2ccccc12)C(=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C138H199N35O30/c1-72(2)54-96(161-122(188)97(55-73(3)4)162-125(191)101(60-80-41-43-84(176)44-42-80)155-114(181)69-151-117(183)77(11)153-131(197)106(71-174)168-127(193)105(64-112(144)179)166-124(190)99(57-75(7)8)167-135(201)116(78(12)175)169-128(194)102(154-113(180)65-140)61-81-66-148-89-33-19-16-30-85(81)89)119(185)152-70-115(182)171-51-25-38-107(171)132(198)159-95(37-24-50-147-138(145)146)137(203)173-53-27-40-109(173)134(200)158-94(36-22-23-49-139)136(202)172-52-26-39-108(172)133(199)157-93(46-48-111(143)178)120(186)156-92(45-47-110(142)177)121(187)165-104(63-83-68-150-91-35-21-18-32-87(83)91)130(196)170-129(195)100(58-76(9)10)164-123(189)98(56-74(5)6)163-126(192)103(62-82-67-149-90-34-20-17-31-86(82)90)160-118(184)88(141)59-79-28-14-13-15-29-79/h13-21,28-35,41-44,66-68,72-78,88,92-109,116,148-150,174-176H,22-27,36-40,45-65,69-71,139-141H2,1-12H3,(H2,142,177)(H2,143,178)(H2,144,179)(H,151,183)(H,152,185)(H,153,197)(H,154,180)(H,155,181)(H,156,186)(H,157,199)(H,158,200)(H,159,198)(H,160,184)(H,161,188)(H,162,191)(H,163,192)(H,164,189)(H,165,187)(H,166,190)(H,167,201)(H,168,193)(H,169,194)(H4,145,146,147)(H,170,195,196)/t77-,78+,88-,92-,93-,94-,95+,96-,97-,98-,99-,100-,101-,102-,103+,104+,105-,106-,107-,108-,109-,116-/m0/s1
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8.13n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 273: 23321-6 (1998)


Article DOI: 10.1074/jbc.273.36.23321
BindingDB Entry DOI: 10.7270/Q22N50TF
More data for this
Ligand-Target Pair
mu/kappa 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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TBA

Curated by ChEMBL


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


J Med Chem 29: 1913-7 (1986)


Article DOI: 10.1021/jm00160a019
BindingDB Entry DOI: 10.7270/Q2Z89BCJ
More data for this
Ligand-Target Pair
mu/kappa 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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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
Galanin receptor 2


(RAT)
BDBM85068
PNG
(Gal(1-13)-Std I)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)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](Cc1c[nH]c2ccccc12)C(=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C138H199N35O30/c1-72(2)54-96(161-122(188)97(55-73(3)4)162-125(191)101(60-80-41-43-84(176)44-42-80)155-114(181)69-151-117(183)77(11)153-131(197)106(71-174)168-127(193)105(64-112(144)179)166-124(190)99(57-75(7)8)167-135(201)116(78(12)175)169-128(194)102(154-113(180)65-140)61-81-66-148-89-33-19-16-30-85(81)89)119(185)152-70-115(182)171-51-25-38-107(171)132(198)159-95(37-24-50-147-138(145)146)137(203)173-53-27-40-109(173)134(200)158-94(36-22-23-49-139)136(202)172-52-26-39-108(172)133(199)157-93(46-48-111(143)178)120(186)156-92(45-47-110(142)177)121(187)165-104(63-83-68-150-91-35-21-18-32-87(83)91)130(196)170-129(195)100(58-76(9)10)164-123(189)98(56-74(5)6)163-126(192)103(62-82-67-149-90-34-20-17-31-86(82)90)160-118(184)88(141)59-79-28-14-13-15-29-79/h13-21,28-35,41-44,66-68,72-78,88,92-109,116,148-150,174-176H,22-27,36-40,45-65,69-71,139-141H2,1-12H3,(H2,142,177)(H2,143,178)(H2,144,179)(H,151,183)(H,152,185)(H,153,197)(H,154,180)(H,155,181)(H,156,186)(H,157,199)(H,158,200)(H,159,198)(H,160,184)(H,161,188)(H,162,191)(H,163,192)(H,164,189)(H,165,187)(H,166,190)(H,167,201)(H,168,193)(H,169,194)(H4,145,146,147)(H,170,195,196)/t77-,78+,88-,92-,93-,94-,95+,96-,97-,98-,99-,100-,101-,102-,103+,104+,105-,106-,107-,108-,109-,116-/m0/s1
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23n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




FEBS Lett 405: 285-90 (1997)


Article DOI: 10.1016/s0014-5793(97)00196-8
BindingDB Entry DOI: 10.7270/Q2VH5MBC
More data for this
Ligand-Target Pair
NPFF2


(Homo sapiens (Human))
BDBM86148
PNG
(CAS_222988-10-5 | PrRP20)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C104H158N32O26/c1-10-53(5)82(97(158)124-66(29-19-39-116-104(112)113)99(160)134-40-21-32-74(134)94(155)131-81(52(3)4)95(156)119-49-77(142)123-65(28-18-38-115-103(110)111)88(149)125-67(85(107)146)43-58-23-13-12-14-24-58)130-78(143)51-118-87(148)64(27-17-37-114-102(108)109)122-76(141)50-120-96(157)84(57(9)138)133-90(151)68(44-59-33-35-61(139)36-34-59)127-89(150)69(45-60-48-117-63-26-16-15-25-62(60)63)126-86(147)55(7)121-92(153)72-30-20-41-135(72)100(161)71(46-75(105)140)129-98(159)83(54(6)11-2)132-91(152)70(47-79(144)145)128-93(154)73-31-22-42-136(73)101(162)80(106)56(8)137/h12-16,23-26,33-36,48,52-57,64-74,80-84,117,137-139H,10-11,17-22,27-32,37-47,49-51,106H2,1-9H3,(H2,105,140)(H2,107,146)(H,118,148)(H,119,156)(H,120,157)(H,121,153)(H,122,141)(H,123,142)(H,124,158)(H,125,149)(H,126,147)(H,127,150)(H,128,154)(H,129,159)(H,130,143)(H,131,155)(H,132,152)(H,133,151)(H,144,145)(H4,108,109,114)(H4,110,111,115)(H4,112,113,116)/t53-,54-,55-,56+,57+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,80-,81-,82-,83-,84-/m0/s1
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Juvantia Pharma, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 825-32 (2003)


Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2
More data for this
Ligand-Target Pair
mu/kappa 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
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
mu/kappa 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
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
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
mu/kappa 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
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
GALR1


(Homo sapiens (Human))
BDBM85068
PNG
(Gal(1-13)-Std I)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)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](Cc1c[nH]c2ccccc12)C(=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C138H199N35O30/c1-72(2)54-96(161-122(188)97(55-73(3)4)162-125(191)101(60-80-41-43-84(176)44-42-80)155-114(181)69-151-117(183)77(11)153-131(197)106(71-174)168-127(193)105(64-112(144)179)166-124(190)99(57-75(7)8)167-135(201)116(78(12)175)169-128(194)102(154-113(180)65-140)61-81-66-148-89-33-19-16-30-85(81)89)119(185)152-70-115(182)171-51-25-38-107(171)132(198)159-95(37-24-50-147-138(145)146)137(203)173-53-27-40-109(173)134(200)158-94(36-22-23-49-139)136(202)172-52-26-39-108(172)133(199)157-93(46-48-111(143)178)120(186)156-92(45-47-110(142)177)121(187)165-104(63-83-68-150-91-35-21-18-32-87(83)91)130(196)170-129(195)100(58-76(9)10)164-123(189)98(56-74(5)6)163-126(192)103(62-82-67-149-90-34-20-17-31-86(82)90)160-118(184)88(141)59-79-28-14-13-15-29-79/h13-21,28-35,41-44,66-68,72-78,88,92-109,116,148-150,174-176H,22-27,36-40,45-65,69-71,139-141H2,1-12H3,(H2,142,177)(H2,143,178)(H2,144,179)(H,151,183)(H,152,185)(H,153,197)(H,154,180)(H,155,181)(H,156,186)(H,157,199)(H,158,200)(H,159,198)(H,160,184)(H,161,188)(H,162,191)(H,163,192)(H,164,189)(H,165,187)(H,166,190)(H,167,201)(H,168,193)(H,169,194)(H4,145,146,147)(H,170,195,196)/t77-,78+,88-,92-,93-,94-,95+,96-,97-,98-,99-,100-,101-,102-,103+,104+,105-,106-,107-,108-,109-,116-/m0/s1
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685n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 448-56 (1998)


BindingDB Entry DOI: 10.7270/Q2930RQZ
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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM26349
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyp...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C63H83N17O14/c1-34(2)24-45(58(90)74-43(18-11-23-70-63(68)69)57(89)75-44(54(67)86)26-35-12-5-3-6-13-35)73-53(85)32-72-56(88)46(27-36-14-7-4-8-15-36)77-62(94)50(33-81)80-61(93)49(30-52(66)84)79-59(91)47(28-38-31-71-42-17-10-9-16-40(38)42)78-60(92)48(29-51(65)83)76-55(87)41(64)25-37-19-21-39(82)22-20-37/h3-10,12-17,19-22,31,34,41,43-50,71,81-82H,11,18,23-30,32-33,64H2,1-2H3,(H2,65,83)(H2,66,84)(H2,67,86)(H,72,88)(H,73,85)(H,74,90)(H,75,89)(H,76,87)(H,77,94)(H,78,92)(H,79,91)(H,80,93)(H4,68,69,70)/t41-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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n/an/a 0.120n/an/an/an/a7.325



Kyoto University



Assay Description
Membranes were incubated with [125I] kisspeptin-15 and increasing concentrations of test compound in binding buffer. The reaction mixtures were dilut...


J Med Chem 51: 7645-9 (2008)


Article DOI: 10.1021/jm800930w
BindingDB Entry DOI: 10.7270/Q2ZS2TTP
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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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))
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
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
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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
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
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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)
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 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
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
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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)
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
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
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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
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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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)
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
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
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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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))
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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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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PC cid
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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))
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

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UniProtKB/SwissProt

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PC cid
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UniChem

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Article
PubMed
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
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