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121 similar compounds to monomer 50389772

Compile data set for download or QSAR
Wt: 1516.7
BDBM50070370
Wt: 1490.7
BDBM50070369
Wt: 1792.0
BDBM50125578
Wt: 2272.5
BDBM86148
Wt: 1219.4
BDBM84710
Wt: 1306.5
BDBM84712
Wt: 1332.5
BDBM84730
Wt: 1346.5
BDBM84731
Wt: 1233.4
BDBM84733
Wt: 2828.2
BDBM85068
Wt: 1474.7
BDBM50019483
Wt: 1564.8
BDBM50452248
Wt: 1564.8
BDBM50452249
Wt: 1435.6
BDBM50019480
Wt: 1603.8
BDBM50019487
Displayed 1 to 15 (of 121 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 46 hits for monomerid = 50070370,50070369,50125578,86148,84710,84712,84730,84731,84733,85068,50019483,50452248,50452249,50019480,50019487   
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
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84712
PNG
(deslorelin 2NMePhe | deslorelin 2Phe)
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](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C68H87N15O12/c1-5-71-64(92)56-22-14-30-83(56)67(95)49(21-13-29-72-68(69)70)76-59(87)51(31-39(2)3)77-61(89)53(34-42-36-73-47-19-11-9-17-45(42)47)79-60(88)52(32-41-23-25-44(85)26-24-41)78-63(91)55(38-84)81-62(90)54(35-43-37-74-48-20-12-10-18-46(43)48)80-65(93)57(33-40-15-7-6-8-16-40)82(4)66(94)50-27-28-58(86)75-50/h6-12,15-20,23-26,36-37,39,49-57,73-74,84-85H,5,13-14,21-22,27-35,38H2,1-4H3,(H,71,92)(H,75,86)(H,76,87)(H,77,89)(H,78,91)(H,79,88)(H,80,93)(H,81,90)(H4,69,70,72)/t49-,50-,51-,52-,53+,54-,55-,56-,57-/m0/s1
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0.0200n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


Article DOI: 10.1021/jm00055a007
BindingDB Entry DOI: 10.7270/Q2GQ6W8T
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019480
PNG
(CHEMBL2373009 | NH2-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-D-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
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
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84730
PNG
(nafarelin 2Phe)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C69H85N15O13/c1-39(2)30-51(61(90)77-50(18-10-28-73-69(71)72)68(97)84-29-11-19-57(84)67(96)75-37-58(70)87)78-64(93)54(34-42-20-23-43-14-6-7-15-44(43)31-42)80-62(91)53(33-41-21-24-46(86)25-22-41)81-66(95)56(38-85)83-65(94)55(35-45-36-74-48-17-9-8-16-47(45)48)82-63(92)52(32-40-12-4-3-5-13-40)79-60(89)49-26-27-59(88)76-49/h3-9,12-17,20-25,31,36,39,49-57,74,85-86H,10-11,18-19,26-30,32-35,37-38H2,1-2H3,(H2,70,87)(H,75,96)(H,76,88)(H,77,90)(H,78,93)(H,79,89)(H,80,91)(H,81,95)(H,82,92)(H,83,94)(H4,71,72,73)/t49-,50-,51-,52-,53-,54+,55-,56-,57-/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


Article DOI: 10.1021/jm00055a007
BindingDB Entry DOI: 10.7270/Q2GQ6W8T
More data for this
Ligand-Target Pair
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84712
PNG
(deslorelin 2NMePhe | deslorelin 2Phe)
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](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C68H87N15O12/c1-5-71-64(92)56-22-14-30-83(56)67(95)49(21-13-29-72-68(69)70)76-59(87)51(31-39(2)3)77-61(89)53(34-42-36-73-47-19-11-9-17-45(42)47)79-60(88)52(32-41-23-25-44(85)26-24-41)78-63(91)55(38-84)81-62(90)54(35-43-37-74-48-20-12-10-18-46(43)48)80-65(93)57(33-40-15-7-6-8-16-40)82(4)66(94)50-27-28-58(86)75-50/h6-12,15-20,23-26,36-37,39,49-57,73-74,84-85H,5,13-14,21-22,27-35,38H2,1-4H3,(H,71,92)(H,75,86)(H,76,87)(H,77,89)(H,78,91)(H,79,88)(H,80,93)(H,81,90)(H4,69,70,72)/t49-,50-,51-,52-,53+,54-,55-,56-,57-/m0/s1
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0.210n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


Article DOI: 10.1021/jm00055a007
BindingDB Entry DOI: 10.7270/Q2GQ6W8T
More data for this
Ligand-Target Pair
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84731
PNG
(nafarelin 2NMePhe)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C70H87N15O13/c1-40(2)31-52(61(90)78-50(19-11-29-74-70(72)73)69(98)85-30-12-20-57(85)66(95)76-38-59(71)88)79-63(92)54(34-43-21-24-44-15-7-8-16-45(44)32-43)80-62(91)53(33-42-22-25-47(87)26-23-42)81-65(94)56(39-86)83-64(93)55(36-46-37-75-49-18-10-9-17-48(46)49)82-67(96)58(35-41-13-5-4-6-14-41)84(3)68(97)51-27-28-60(89)77-51/h4-10,13-18,21-26,32,37,40,50-58,75,86-87H,11-12,19-20,27-31,33-36,38-39H2,1-3H3,(H2,71,88)(H,76,95)(H,77,89)(H,78,90)(H,79,92)(H,80,91)(H,81,94)(H,82,96)(H,83,93)(H4,72,73,74)/t50-,51-,52-,53-,54+,55-,56-,57-,58-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


Article DOI: 10.1021/jm00055a007
BindingDB Entry DOI: 10.7270/Q2GQ6W8T
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
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84710
PNG
(leuprolide 2 Phe)
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](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C62H86N14O12/c1-6-65-60(87)51-19-13-27-76(51)61(88)44(18-12-26-66-62(63)64)69-54(81)45(28-35(2)3)70-55(82)46(29-36(4)5)71-56(83)48(31-38-20-22-40(78)23-21-38)73-59(86)50(34-77)75-58(85)49(32-39-33-67-42-17-11-10-16-41(39)42)74-57(84)47(30-37-14-8-7-9-15-37)72-53(80)43-24-25-52(79)68-43/h7-11,14-17,20-23,33,35-36,43-51,67,77-78H,6,12-13,18-19,24-32,34H2,1-5H3,(H,65,87)(H,68,79)(H,69,81)(H,70,82)(H,71,83)(H,72,80)(H,73,86)(H,74,84)(H,75,85)(H4,63,64,66)/t43-,44-,45-,46+,47-,48-,49-,50-,51-/m0/s1
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2.19n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


Article DOI: 10.1021/jm00055a007
BindingDB Entry DOI: 10.7270/Q2GQ6W8T
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
PDB

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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
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
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84733
PNG
(leuprolide 2NMePhe)
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](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C63H88N14O12/c1-7-66-59(86)51-20-14-28-77(51)62(89)44(19-13-27-67-63(64)65)70-54(81)46(29-36(2)3)71-55(82)47(30-37(4)5)72-56(83)48(31-39-21-23-41(79)24-22-39)73-58(85)50(35-78)75-57(84)49(33-40-34-68-43-18-12-11-17-42(40)43)74-60(87)52(32-38-15-9-8-10-16-38)76(6)61(88)45-25-26-53(80)69-45/h8-12,15-18,21-24,34,36-37,44-52,68,78-79H,7,13-14,19-20,25-33,35H2,1-6H3,(H,66,86)(H,69,80)(H,70,81)(H,71,82)(H,72,83)(H,73,85)(H,74,87)(H,75,84)(H4,64,65,67)/t44-,45-,46-,47+,48-,49-,50-,51-,52-/m0/s1
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12.0n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


Article DOI: 10.1021/jm00055a007
BindingDB Entry DOI: 10.7270/Q2GQ6W8T
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
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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23n/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
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
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
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
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
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
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
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
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))
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))
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
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
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
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
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