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146 similar compounds to monomer 50130880

Compile data set for download or QSAR
Wt: 746.8
BDBM82078
Wt: 1100.2
BDBM82082
Wt: 1228.4
BDBM82083
Wt: 2909.3
BDBM82274
Purchase
Wt: 2695.0
BDBM86314
Wt: 1679.9
BDBM85978
Wt: 1709.9
BDBM85981
Wt: 1724.0
BDBM85983
Wt: 1633.8
BDBM85984
Wt: 1652.9
BDBM85986
Wt: 1967.2
BDBM85987
Wt: 1667.9
BDBM85990
Wt: 1667.9
BDBM85992
Wt: 2366.6
BDBM85994
Wt: 1652.9
BDBM85999
Displayed 1 to 15 (of 145 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 82078,82082,82083,82274,86314,85978,85981,85983,85984,85986,85987,85990,85992,85994,85999   
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
Neurotensin receptor 1


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

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0.25n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




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


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


(Homo sapiens (Human))
BDBM86314
PNG
(CAS_0 | NSC_0 | [Nle13]-Motilin)
Show SMILES CCCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C122H192N34O35/c1-9-11-14-30-74(104(174)145-79(40-46-89(126)159)110(180)147-82(45-51-97(169)170)111(181)142-75(32-20-22-53-124)105(175)146-81(44-50-96(167)168)112(182)144-77(34-24-55-135-122(132)133)107(177)150-87(61-92(129)162)114(184)140-73(31-19-21-52-123)102(172)136-63-94(164)139-83(120(190)191)42-48-91(128)161)141-106(176)76(33-23-54-134-121(130)131)143-109(179)80(41-47-90(127)160)148-113(183)84(57-64(3)4)149-108(178)78(43-49-95(165)166)138-93(163)62-137-103(173)85(60-70-36-38-71(158)39-37-70)151-118(188)100(67(8)157)155-115(185)86(59-69-28-17-13-18-29-69)152-117(187)99(66(7)10-2)154-116(186)88-35-25-56-156(88)119(189)98(65(5)6)153-101(171)72(125)58-68-26-15-12-16-27-68/h12-13,15-18,26-29,36-39,64-67,72-88,98-100,157-158H,9-11,14,19-25,30-35,40-63,123-125H2,1-8H3,(H2,126,159)(H2,127,160)(H2,128,161)(H2,129,162)(H,136,172)(H,137,173)(H,138,163)(H,139,164)(H,140,184)(H,141,176)(H,142,181)(H,143,179)(H,144,182)(H,145,174)(H,146,175)(H,147,180)(H,148,183)(H,149,178)(H,150,177)(H,151,188)(H,152,187)(H,153,171)(H,154,186)(H,155,185)(H,165,166)(H,167,168)(H,169,170)(H,190,191)(H4,130,131,134)(H4,132,133,135)/t66-,67+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,98-,99-,100-/m0/s1
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0.447n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by PDSP Ki Database




Br J Pharmacol 140: 948-54 (2003)


Article DOI: 10.1038/sj.bjp.0705505
BindingDB Entry DOI: 10.7270/Q2N58JZF
More data for this
Ligand-Target Pair
Motilin


(RABBIT)
BDBM86314
PNG
(CAS_0 | NSC_0 | [Nle13]-Motilin)
Show SMILES CCCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C122H192N34O35/c1-9-11-14-30-74(104(174)145-79(40-46-89(126)159)110(180)147-82(45-51-97(169)170)111(181)142-75(32-20-22-53-124)105(175)146-81(44-50-96(167)168)112(182)144-77(34-24-55-135-122(132)133)107(177)150-87(61-92(129)162)114(184)140-73(31-19-21-52-123)102(172)136-63-94(164)139-83(120(190)191)42-48-91(128)161)141-106(176)76(33-23-54-134-121(130)131)143-109(179)80(41-47-90(127)160)148-113(183)84(57-64(3)4)149-108(178)78(43-49-95(165)166)138-93(163)62-137-103(173)85(60-70-36-38-71(158)39-37-70)151-118(188)100(67(8)157)155-115(185)86(59-69-28-17-13-18-29-69)152-117(187)99(66(7)10-2)154-116(186)88-35-25-56-156(88)119(189)98(65(5)6)153-101(171)72(125)58-68-26-15-12-16-27-68/h12-13,15-18,26-29,36-39,64-67,72-88,98-100,157-158H,9-11,14,19-25,30-35,40-63,123-125H2,1-8H3,(H2,126,159)(H2,127,160)(H2,128,161)(H2,129,162)(H,136,172)(H,137,173)(H,138,163)(H,139,164)(H,140,184)(H,141,176)(H,142,181)(H,143,179)(H,144,182)(H,145,174)(H,146,175)(H,147,180)(H,148,183)(H,149,178)(H,150,177)(H,151,188)(H,152,187)(H,153,171)(H,154,186)(H,155,185)(H,165,166)(H,167,168)(H,169,170)(H,190,191)(H4,130,131,134)(H4,132,133,135)/t66-,67+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,98-,99-,100-/m0/s1
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0.850n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by PDSP Ki Database




Br J Pharmacol 140: 948-54 (2003)


Article DOI: 10.1038/sj.bjp.0705505
BindingDB Entry DOI: 10.7270/Q2N58JZF
More data for this
Ligand-Target Pair
Motilin


(Homo sapiens (Human))
BDBM85994
PNG
([leu13]pMOT(1-19))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C108H168N30O30/c1-10-58(8)87(136-103(165)78-29-21-47-138(78)106(168)86(57(6)7)135-90(152)64(110)50-60-22-13-11-14-23-60)104(166)134-77(51-61-24-15-12-16-25-61)102(164)137-88(59(9)139)105(167)133-76(52-62-30-32-63(140)33-31-62)91(153)121-54-82(144)122-68(36-41-83(145)146)95(157)132-75(49-56(4)5)101(163)128-69(34-39-79(111)141)96(158)125-67(28-20-46-120-108(117)118)94(156)131-74(48-55(2)3)100(162)129-70(35-40-80(112)142)97(159)127-72(38-43-85(149)150)98(160)123-65(26-17-18-44-109)92(154)126-71(37-42-84(147)148)99(161)124-66(27-19-45-119-107(115)116)93(155)130-73(89(114)151)53-81(113)143/h11-16,22-25,30-33,55-59,64-78,86-88,139-140H,10,17-21,26-29,34-54,109-110H2,1-9H3,(H2,111,141)(H2,112,142)(H2,113,143)(H2,114,151)(H,121,153)(H,122,144)(H,123,160)(H,124,161)(H,125,158)(H,126,154)(H,127,159)(H,128,163)(H,129,162)(H,130,155)(H,131,156)(H,132,157)(H,133,167)(H,134,166)(H,135,152)(H,136,165)(H,137,164)(H,145,146)(H,147,148)(H,149,150)(H4,115,116,119)(H4,117,118,120)/t58-,59+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,86-,87-,88-/m0/s1
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0.980n/an/an/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by PDSP Ki Database




Biochem Biophys Res Commun 293: 1223-7 (2002)


Article DOI: 10.1016/S0006-291X(02)00356-X
BindingDB Entry DOI: 10.7270/Q2KP80RP
More data for this
Ligand-Target Pair
Motilin


(RABBIT)
BDBM86314
PNG
(CAS_0 | NSC_0 | [Nle13]-Motilin)
Show SMILES CCCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C122H192N34O35/c1-9-11-14-30-74(104(174)145-79(40-46-89(126)159)110(180)147-82(45-51-97(169)170)111(181)142-75(32-20-22-53-124)105(175)146-81(44-50-96(167)168)112(182)144-77(34-24-55-135-122(132)133)107(177)150-87(61-92(129)162)114(184)140-73(31-19-21-52-123)102(172)136-63-94(164)139-83(120(190)191)42-48-91(128)161)141-106(176)76(33-23-54-134-121(130)131)143-109(179)80(41-47-90(127)160)148-113(183)84(57-64(3)4)149-108(178)78(43-49-95(165)166)138-93(163)62-137-103(173)85(60-70-36-38-71(158)39-37-70)151-118(188)100(67(8)157)155-115(185)86(59-69-28-17-13-18-29-69)152-117(187)99(66(7)10-2)154-116(186)88-35-25-56-156(88)119(189)98(65(5)6)153-101(171)72(125)58-68-26-15-12-16-27-68/h12-13,15-18,26-29,36-39,64-67,72-88,98-100,157-158H,9-11,14,19-25,30-35,40-63,123-125H2,1-8H3,(H2,126,159)(H2,127,160)(H2,128,161)(H2,129,162)(H,136,172)(H,137,173)(H,138,163)(H,139,164)(H,140,184)(H,141,176)(H,142,181)(H,143,179)(H,144,182)(H,145,174)(H,146,175)(H,147,180)(H,148,183)(H,149,178)(H,150,177)(H,151,188)(H,152,187)(H,153,171)(H,154,186)(H,155,185)(H,165,166)(H,167,168)(H,169,170)(H,190,191)(H4,130,131,134)(H4,132,133,135)/t66-,67+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,98-,99-,100-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by PDSP Ki Database




Br J Pharmacol 140: 948-54 (2003)


Article DOI: 10.1038/sj.bjp.0705505
BindingDB Entry DOI: 10.7270/Q2N58JZF
More data for this
Ligand-Target Pair
Motilin


(Homo sapiens (Human))
BDBM86314
PNG
(CAS_0 | NSC_0 | [Nle13]-Motilin)
Show SMILES CCCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C122H192N34O35/c1-9-11-14-30-74(104(174)145-79(40-46-89(126)159)110(180)147-82(45-51-97(169)170)111(181)142-75(32-20-22-53-124)105(175)146-81(44-50-96(167)168)112(182)144-77(34-24-55-135-122(132)133)107(177)150-87(61-92(129)162)114(184)140-73(31-19-21-52-123)102(172)136-63-94(164)139-83(120(190)191)42-48-91(128)161)141-106(176)76(33-23-54-134-121(130)131)143-109(179)80(41-47-90(127)160)148-113(183)84(57-64(3)4)149-108(178)78(43-49-95(165)166)138-93(163)62-137-103(173)85(60-70-36-38-71(158)39-37-70)151-118(188)100(67(8)157)155-115(185)86(59-69-28-17-13-18-29-69)152-117(187)99(66(7)10-2)154-116(186)88-35-25-56-156(88)119(189)98(65(5)6)153-101(171)72(125)58-68-26-15-12-16-27-68/h12-13,15-18,26-29,36-39,64-67,72-88,98-100,157-158H,9-11,14,19-25,30-35,40-63,123-125H2,1-8H3,(H2,126,159)(H2,127,160)(H2,128,161)(H2,129,162)(H,136,172)(H,137,173)(H,138,163)(H,139,164)(H,140,184)(H,141,176)(H,142,181)(H,143,179)(H,144,182)(H,145,174)(H,146,175)(H,147,180)(H,148,183)(H,149,178)(H,150,177)(H,151,188)(H,152,187)(H,153,171)(H,154,186)(H,155,185)(H,165,166)(H,167,168)(H,169,170)(H,190,191)(H4,130,131,134)(H4,132,133,135)/t66-,67+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,98-,99-,100-/m0/s1
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1.95n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by PDSP Ki Database




Br J Pharmacol 140: 948-54 (2003)


Article DOI: 10.1038/sj.bjp.0705505
BindingDB Entry DOI: 10.7270/Q2N58JZF
More data for this
Ligand-Target Pair
Motilin


(Homo sapiens (Human))
BDBM85987
PNG
([leu13]pMOT(1-16))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C93H143N23O24/c1-10-52(8)76(114-89(137)69-27-20-42-116(69)92(140)75(51(6)7)113-79(127)58(95)45-54-21-13-11-14-22-54)90(138)112-68(46-55-23-15-12-16-24-55)88(136)115-77(53(9)117)91(139)111-67(47-56-28-30-57(118)31-29-56)80(128)102-48-72(121)103-61(34-38-73(122)123)82(130)110-66(44-50(4)5)87(135)107-62(32-36-70(96)119)84(132)105-60(26-19-41-101-93(99)100)81(129)109-65(43-49(2)3)86(134)108-63(33-37-71(97)120)85(133)106-64(35-39-74(124)125)83(131)104-59(78(98)126)25-17-18-40-94/h11-16,21-24,28-31,49-53,58-69,75-77,117-118H,10,17-20,25-27,32-48,94-95H2,1-9H3,(H2,96,119)(H2,97,120)(H2,98,126)(H,102,128)(H,103,121)(H,104,131)(H,105,132)(H,106,133)(H,107,135)(H,108,134)(H,109,129)(H,110,130)(H,111,139)(H,112,138)(H,113,127)(H,114,137)(H,115,136)(H,122,123)(H,124,125)(H4,99,100,101)/t52-,53+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,75-,76-,77-/m0/s1
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2.14n/an/an/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by PDSP Ki Database




Biochem Biophys Res Commun 293: 1223-7 (2002)


Article DOI: 10.1016/S0006-291X(02)00356-X
BindingDB Entry DOI: 10.7270/Q2KP80RP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM82083
PNG
(Alpha-Neoendorphin | CAS_69671-17-6 | CB0427223)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C60H89N15O13/c1-36(2)30-46(73-56(84)47(32-37-12-4-3-5-13-37)69-51(79)35-67-50(78)34-68-52(80)42(63)31-38-18-22-40(76)23-19-38)55(83)71-44(16-10-28-66-60(64)65)53(81)70-43(14-6-8-26-61)54(82)74-48(33-39-20-24-41(77)25-21-39)58(86)75-29-11-17-49(75)57(85)72-45(59(87)88)15-7-9-27-62/h3-5,12-13,18-25,36,42-49,76-77H,6-11,14-17,26-35,61-63H2,1-2H3,(H,67,78)(H,68,80)(H,69,79)(H,70,81)(H,71,83)(H,72,85)(H,73,84)(H,74,82)(H,87,88)(H4,64,65,66)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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2.15n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




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


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


(Homo sapiens (Human))
BDBM85981
PNG
([ala1,leu13]pMOT(1-14) | [leu13]pMOT(1-14))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C82H124N20O20/c1-10-46(8)67(100-78(119)61-24-18-36-102(61)81(122)66(45(6)7)99-70(111)52(83)39-48-19-13-11-14-20-48)79(120)98-60(40-49-21-15-12-16-22-49)77(118)101-68(47(9)103)80(121)97-59(41-50-25-27-51(104)28-26-50)71(112)90-42-64(107)91-55(31-34-65(108)109)73(114)96-58(38-44(4)5)76(117)94-56(30-33-63(85)106)74(115)93-54(23-17-35-89-82(87)88)72(113)95-57(37-43(2)3)75(116)92-53(69(86)110)29-32-62(84)105/h11-16,19-22,25-28,43-47,52-61,66-68,103-104H,10,17-18,23-24,29-42,83H2,1-9H3,(H2,84,105)(H2,85,106)(H2,86,110)(H,90,112)(H,91,107)(H,92,116)(H,93,115)(H,94,117)(H,95,113)(H,96,114)(H,97,121)(H,98,120)(H,99,111)(H,100,119)(H,101,118)(H,108,109)(H4,87,88,89)/t46-,47+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,66-,67-,68-/m0/s1
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3.16n/an/an/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by PDSP Ki Database




Biochem Biophys Res Commun 293: 1223-7 (2002)


Article DOI: 10.1016/S0006-291X(02)00356-X
BindingDB Entry DOI: 10.7270/Q2KP80RP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM82083
PNG
(Alpha-Neoendorphin | CAS_69671-17-6 | CB0427223)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C60H89N15O13/c1-36(2)30-46(73-56(84)47(32-37-12-4-3-5-13-37)69-51(79)35-67-50(78)34-68-52(80)42(63)31-38-18-22-40(76)23-19-38)55(83)71-44(16-10-28-66-60(64)65)53(81)70-43(14-6-8-26-61)54(82)74-48(33-39-20-24-41(77)25-21-39)58(86)75-29-11-17-49(75)57(85)72-45(59(87)88)15-7-9-27-62/h3-5,12-13,18-25,36,42-49,76-77H,6-11,14-17,26-35,61-63H2,1-2H3,(H,67,78)(H,68,80)(H,69,79)(H,70,81)(H,71,83)(H,72,85)(H,73,84)(H,74,82)(H,87,88)(H4,64,65,66)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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3.59n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




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


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


(Homo sapiens (Human))
BDBM85986
PNG
([ala11,leu13]pMOT(1-14))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C80H121N19O19/c1-11-45(8)65(97-76(115)60-25-19-35-99(60)79(118)64(44(6)7)96-69(108)52(81)38-48-20-14-12-15-21-48)77(116)95-59(39-49-22-16-13-17-23-49)75(114)98-66(47(10)100)78(117)94-58(40-50-26-28-51(101)29-27-50)70(109)87-41-62(103)89-55(31-33-63(104)105)72(111)92-56(36-42(2)3)73(112)88-46(9)68(107)91-54(24-18-34-86-80(84)85)71(110)93-57(37-43(4)5)74(113)90-53(67(83)106)30-32-61(82)102/h12-17,20-23,26-29,42-47,52-60,64-66,100-101H,11,18-19,24-25,30-41,81H2,1-10H3,(H2,82,102)(H2,83,106)(H,87,109)(H,88,112)(H,89,103)(H,90,113)(H,91,107)(H,92,111)(H,93,110)(H,94,117)(H,95,116)(H,96,108)(H,97,115)(H,98,114)(H,104,105)(H4,84,85,86)/t45-,46-,47+,52-,53-,54-,55-,56-,57-,58-,59-,60-,64-,65-,66-/m0/s1
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4.57n/an/an/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by PDSP Ki Database




Biochem Biophys Res Commun 293: 1223-7 (2002)


Article DOI: 10.1016/S0006-291X(02)00356-X
BindingDB Entry DOI: 10.7270/Q2KP80RP
More data for this
Ligand-Target Pair
Motilin


(Homo sapiens (Human))
BDBM85992
PNG
([ala10,leu13]pMOT(1-14))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C79H118N20O20/c1-9-43(6)64(97-75(116)58-23-17-35-99(58)78(119)63(42(4)5)96-68(109)50(80)37-46-18-12-10-13-19-46)76(117)95-57(38-47-20-14-11-15-21-47)74(115)98-65(45(8)100)77(118)94-56(39-48-24-26-49(101)27-25-48)69(110)87-40-61(104)89-53(30-33-62(105)106)70(111)88-44(7)67(108)91-54(29-32-60(82)103)72(113)92-52(22-16-34-86-79(84)85)71(112)93-55(36-41(2)3)73(114)90-51(66(83)107)28-31-59(81)102/h10-15,18-21,24-27,41-45,50-58,63-65,100-101H,9,16-17,22-23,28-40,80H2,1-8H3,(H2,81,102)(H2,82,103)(H2,83,107)(H,87,110)(H,88,111)(H,89,104)(H,90,114)(H,91,108)(H,92,113)(H,93,112)(H,94,118)(H,95,117)(H,96,109)(H,97,116)(H,98,115)(H,105,106)(H4,84,85,86)/t43-,44-,45+,50-,51-,52-,53-,54-,55-,56-,57-,58-,63-,64-,65-/m0/s1
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5.01n/an/an/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by PDSP Ki Database




Biochem Biophys Res Commun 293: 1223-7 (2002)


Article DOI: 10.1016/S0006-291X(02)00356-X
BindingDB Entry DOI: 10.7270/Q2KP80RP
More data for this
Ligand-Target Pair
NTSR2


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



Merck Research Laboratories

Curated by PDSP Ki Database




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


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


(Homo sapiens (Human))
BDBM85999
PNG
([ala14,leu13]pMOT(1-14))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C80H121N19O19/c1-11-45(8)65(97-76(115)60-25-19-35-99(60)79(118)64(44(6)7)96-68(107)52(81)38-48-20-14-12-15-21-48)77(116)95-59(39-49-22-16-13-17-23-49)75(114)98-66(47(10)100)78(117)94-58(40-50-26-28-51(101)29-27-50)69(108)87-41-62(103)89-54(31-33-63(104)105)71(110)93-57(37-43(4)5)74(113)91-55(30-32-61(82)102)72(111)90-53(24-18-34-86-80(84)85)70(109)92-56(36-42(2)3)73(112)88-46(9)67(83)106/h12-17,20-23,26-29,42-47,52-60,64-66,100-101H,11,18-19,24-25,30-41,81H2,1-10H3,(H2,82,102)(H2,83,106)(H,87,108)(H,88,112)(H,89,103)(H,90,111)(H,91,113)(H,92,109)(H,93,110)(H,94,117)(H,95,116)(H,96,107)(H,97,115)(H,98,114)(H,104,105)(H4,84,85,86)/t45-,46-,47+,52-,53-,54-,55-,56-,57-,58-,59-,60-,64-,65-,66-/m0/s1
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7.08n/an/an/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by PDSP Ki Database




Biochem Biophys Res Commun 293: 1223-7 (2002)


Article DOI: 10.1016/S0006-291X(02)00356-X
BindingDB Entry DOI: 10.7270/Q2KP80RP
More data for this
Ligand-Target Pair
NT


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



Janssen Research Foundation

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2610XV6
More data for this
Ligand-Target Pair
Motilin


(Homo sapiens (Human))
BDBM85990
PNG
([ala13,leu13]pMOT(1-14))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C79H118N20O20/c1-9-43(6)64(97-75(116)58-23-17-35-99(58)78(119)63(42(4)5)96-68(109)50(80)37-46-18-12-10-13-19-46)76(117)95-57(38-47-20-14-11-15-21-47)74(115)98-65(45(8)100)77(118)94-56(39-48-24-26-49(101)27-25-48)69(110)87-40-61(104)89-53(30-33-62(105)106)71(112)93-55(36-41(2)3)73(114)92-54(29-32-60(82)103)72(113)91-52(22-16-34-86-79(84)85)70(111)88-44(7)67(108)90-51(66(83)107)28-31-59(81)102/h10-15,18-21,24-27,41-45,50-58,63-65,100-101H,9,16-17,22-23,28-40,80H2,1-8H3,(H2,81,102)(H2,82,103)(H2,83,107)(H,87,110)(H,88,111)(H,89,104)(H,90,108)(H,91,113)(H,92,114)(H,93,112)(H,94,118)(H,95,117)(H,96,109)(H,97,116)(H,98,115)(H,105,106)(H4,84,85,86)/t43-,44-,45+,50-,51-,52-,53-,54-,55-,56-,57-,58-,63-,64-,65-/m0/s1
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7.24n/an/an/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by PDSP Ki Database




Biochem Biophys Res Commun 293: 1223-7 (2002)


Article DOI: 10.1016/S0006-291X(02)00356-X
BindingDB Entry DOI: 10.7270/Q2KP80RP
More data for this
Ligand-Target Pair
Motilin


(Homo sapiens (Human))
BDBM85984
PNG
([ala5,leu13]pMOT(1-14))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C76H120N20O20/c1-11-41(8)61(94-72(113)55-20-16-32-96(55)75(116)60(40(6)7)93-65(106)47(77)35-44-17-13-12-14-18-44)73(114)85-42(9)64(105)95-62(43(10)97)74(115)92-54(36-45-21-23-46(98)24-22-45)66(107)84-37-58(101)86-50(27-30-59(102)103)68(109)91-53(34-39(4)5)71(112)89-51(26-29-57(79)100)69(110)88-49(19-15-31-83-76(81)82)67(108)90-52(33-38(2)3)70(111)87-48(63(80)104)25-28-56(78)99/h12-14,17-18,21-24,38-43,47-55,60-62,97-98H,11,15-16,19-20,25-37,77H2,1-10H3,(H2,78,99)(H2,79,100)(H2,80,104)(H,84,107)(H,85,114)(H,86,101)(H,87,111)(H,88,110)(H,89,112)(H,90,108)(H,91,109)(H,92,115)(H,93,106)(H,94,113)(H,95,105)(H,102,103)(H4,81,82,83)/t41-,42-,43+,47-,48-,49-,50-,51-,52-,53-,54-,55-,60-,61-,62-/m0/s1
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28.8n/an/an/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by PDSP Ki Database




Biochem Biophys Res Commun 293: 1223-7 (2002)


Article DOI: 10.1016/S0006-291X(02)00356-X
BindingDB Entry DOI: 10.7270/Q2KP80RP
More data for this
Ligand-Target Pair
Motilin


(Homo sapiens (Human))
BDBM85983
PNG
([ala8,leu13]pMOT(1-14))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C83H126N20O20/c1-11-46(8)67(101-79(120)62-25-19-37-103(62)82(123)66(45(6)7)100-71(112)53(84)40-49-20-14-12-15-21-49)80(121)98-61(41-50-22-16-13-17-23-50)78(119)102-68(48(10)104)81(122)99-60(42-51-26-28-52(105)29-27-51)75(116)91-47(9)70(111)93-57(32-35-65(108)109)74(115)97-59(39-44(4)5)77(118)95-56(31-34-64(86)107)73(114)94-55(24-18-36-90-83(88)89)72(113)96-58(38-43(2)3)76(117)92-54(69(87)110)30-33-63(85)106/h12-17,20-23,26-29,43-48,53-62,66-68,104-105H,11,18-19,24-25,30-42,84H2,1-10H3,(H2,85,106)(H2,86,107)(H2,87,110)(H,91,116)(H,92,117)(H,93,111)(H,94,114)(H,95,118)(H,96,113)(H,97,115)(H,98,121)(H,99,122)(H,100,112)(H,101,120)(H,102,119)(H,108,109)(H4,88,89,90)/t46-,47-,48+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,66-,67-,68-/m0/s1
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36.3n/an/an/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by PDSP Ki Database




Biochem Biophys Res Commun 293: 1223-7 (2002)


Article DOI: 10.1016/S0006-291X(02)00356-X
BindingDB Entry DOI: 10.7270/Q2KP80RP
More data for this
Ligand-Target Pair
Motilin


(Homo sapiens (Human))
BDBM85978
PNG
([ala6,leu13]pMOT(1-14))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C81H122N20O19/c1-10-46(8)67(100-78(118)61-24-18-36-101(61)80(120)66(45(6)7)99-70(110)52(82)39-48-19-13-11-14-20-48)79(119)98-60(40-49-21-15-12-16-22-49)75(115)90-47(9)69(109)95-59(41-50-25-27-51(102)28-26-50)71(111)89-42-64(105)91-55(31-34-65(106)107)73(113)97-58(38-44(4)5)77(117)94-56(30-33-63(84)104)74(114)93-54(23-17-35-88-81(86)87)72(112)96-57(37-43(2)3)76(116)92-53(68(85)108)29-32-62(83)103/h11-16,19-22,25-28,43-47,52-61,66-67,102H,10,17-18,23-24,29-42,82H2,1-9H3,(H2,83,103)(H2,84,104)(H2,85,108)(H,89,111)(H,90,115)(H,91,105)(H,92,116)(H,93,114)(H,94,117)(H,95,109)(H,96,112)(H,97,113)(H,98,119)(H,99,110)(H,100,118)(H,106,107)(H4,86,87,88)/t46-,47-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,66-,67-/m0/s1
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46.8n/an/an/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by PDSP Ki Database




Biochem Biophys Res Commun 293: 1223-7 (2002)


Article DOI: 10.1016/S0006-291X(02)00356-X
BindingDB Entry DOI: 10.7270/Q2KP80RP
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(MOUSE)
BDBM82083
PNG
(Alpha-Neoendorphin | CAS_69671-17-6 | CB0427223)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C60H89N15O13/c1-36(2)30-46(73-56(84)47(32-37-12-4-3-5-13-37)69-51(79)35-67-50(78)34-68-52(80)42(63)31-38-18-22-40(76)23-19-38)55(83)71-44(16-10-28-66-60(64)65)53(81)70-43(14-6-8-26-61)54(82)74-48(33-39-20-24-41(77)25-21-39)58(86)75-29-11-17-49(75)57(85)72-45(59(87)88)15-7-9-27-62/h3-5,12-13,18-25,36,42-49,76-77H,6-11,14-17,26-35,61-63H2,1-2H3,(H,67,78)(H,68,80)(H,69,79)(H,70,81)(H,71,83)(H,72,85)(H,73,84)(H,74,82)(H,87,88)(H4,64,65,66)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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192n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Pharmacol Rev 53: 381-415 (2001)


BindingDB Entry DOI: 10.7270/Q2QJ7FWB
More data for this
Ligand-Target Pair
Motilin


(Homo sapiens (Human))
BDBM85981
PNG
([ala1,leu13]pMOT(1-14) | [leu13]pMOT(1-14))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C82H124N20O20/c1-10-46(8)67(100-78(119)61-24-18-36-102(61)81(122)66(45(6)7)99-70(111)52(83)39-48-19-13-11-14-20-48)79(120)98-60(40-49-21-15-12-16-22-49)77(118)101-68(47(9)103)80(121)97-59(41-50-25-27-51(104)28-26-50)71(112)90-42-64(107)91-55(31-34-65(108)109)73(114)96-58(38-44(4)5)76(117)94-56(30-33-63(85)106)74(115)93-54(23-17-35-89-82(87)88)72(113)95-57(37-43(2)3)75(116)92-53(69(86)110)29-32-62(84)105/h11-16,19-22,25-28,43-47,52-61,66-68,103-104H,10,17-18,23-24,29-42,83H2,1-9H3,(H2,84,105)(H2,85,106)(H2,86,110)(H,90,112)(H,91,107)(H,92,116)(H,93,115)(H,94,117)(H,95,113)(H,96,114)(H,97,121)(H,98,120)(H,99,111)(H,100,119)(H,101,118)(H,108,109)(H4,87,88,89)/t46-,47+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,66-,67-,68-/m0/s1
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589n/an/an/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by PDSP Ki Database




Biochem Biophys Res Commun 293: 1223-7 (2002)


Article DOI: 10.1016/S0006-291X(02)00356-X
BindingDB Entry DOI: 10.7270/Q2KP80RP
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens (Human))
BDBM82274
PNG
(Beta-Endorphin (6-31))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C131H218N34O40/c1-16-68(9)103(127(200)151-82(38-25-30-54-136)112(185)155-90(60-96(138)173)116(189)142-70(11)107(180)152-88(59-76-40-42-77(171)43-41-76)119(192)147-79(35-22-27-51-133)110(183)145-78(34-21-26-50-132)109(182)141-62-98(175)144-85(131(204)205)46-49-100(178)179)162-128(201)104(69(10)17-2)161-108(181)71(12)143-117(190)91(61-97(139)174)154-111(184)80(36-23-28-52-134)148-120(193)89(58-75-32-19-18-20-33-75)153-118(191)86(56-65(3)4)157-129(202)105(73(14)169)163-126(199)102(67(7)8)160-121(194)87(57-66(5)6)156-124(197)94-39-31-55-165(94)130(203)106(74(15)170)164-115(188)83(44-47-95(137)172)149-122(195)92(63-166)158-113(186)81(37-24-29-53-135)146-114(187)84(45-48-99(176)177)150-123(196)93(64-167)159-125(198)101(140)72(13)168/h18-20,32-33,40-43,65-74,78-94,101-106,166-171H,16-17,21-31,34-39,44-64,132-136,140H2,1-15H3,(H2,137,172)(H2,138,173)(H2,139,174)(H,141,182)(H,142,189)(H,143,190)(H,144,175)(H,145,183)(H,146,187)(H,147,192)(H,148,193)(H,149,195)(H,150,196)(H,151,200)(H,152,180)(H,153,191)(H,154,184)(H,155,185)(H,156,197)(H,157,202)(H,158,186)(H,159,198)(H,160,194)(H,161,181)(H,162,201)(H,163,199)(H,164,188)(H,176,177)(H,178,179)(H,204,205)/t68-,69-,70-,71-,72+,73+,74+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,101-,102-,103-,104-,105-,106-/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



Addiction Research Foundation

Curated by PDSP Ki Database




Genomics 28: 84-91 (1995)


BindingDB Entry DOI: 10.7270/Q2ZG6QRZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM82078
PNG
(CAS_55508-42-4 | NSC_128644 | Neurotensin)
Show SMILES CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CC(N)=O)NC(=O)C(N)CCCCN)C(=O)NC(CC(C)C)C(O)=O
Show InChI InChI=1S/C36H58N8O9/c1-5-21(4)30(34(50)42-27(36(52)53)17-20(2)3)43-32(48)25(18-22-11-13-23(45)14-12-22)40-33(49)28-10-8-16-44(28)35(51)26(19-29(39)46)41-31(47)24(38)9-6-7-15-37/h11-14,20-21,24-28,30,45H,5-10,15-19,37-38H2,1-4H3,(H2,39,46)(H,40,49)(H,41,47)(H,42,50)(H,43,48)(H,52,53)
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 81: 4983-7 (1984)


Article DOI: 10.1073/pnas.81.15.4983
BindingDB Entry DOI: 10.7270/Q2JM284N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM82082
PNG
(Beta-Neoendorphin | CAS_77739-21-0 | CB0758529)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C54H77N13O12/c1-32(2)26-41(65-51(76)42(28-33-10-4-3-5-11-33)62-46(71)31-60-45(70)30-61-47(72)38(56)27-34-15-19-36(68)20-16-34)50(75)64-40(13-8-24-59-54(57)58)48(73)63-39(12-6-7-23-55)49(74)66-43(29-35-17-21-37(69)22-18-35)52(77)67-25-9-14-44(67)53(78)79/h3-5,10-11,15-22,32,38-44,68-69H,6-9,12-14,23-31,55-56H2,1-2H3,(H,60,70)(H,61,72)(H,62,71)(H,63,73)(H,64,75)(H,65,76)(H,66,74)(H,78,79)(H4,57,58,59)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 81: 4983-7 (1984)


Article DOI: 10.1073/pnas.81.15.4983
BindingDB Entry DOI: 10.7270/Q2JM284N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM82083
PNG
(Alpha-Neoendorphin | CAS_69671-17-6 | CB0427223)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C60H89N15O13/c1-36(2)30-46(73-56(84)47(32-37-12-4-3-5-13-37)69-51(79)35-67-50(78)34-68-52(80)42(63)31-38-18-22-40(76)23-19-38)55(83)71-44(16-10-28-66-60(64)65)53(81)70-43(14-6-8-26-61)54(82)74-48(33-39-20-24-41(77)25-21-39)58(86)75-29-11-17-49(75)57(85)72-45(59(87)88)15-7-9-27-62/h3-5,12-13,18-25,36,42-49,76-77H,6-11,14-17,26-35,61-63H2,1-2H3,(H,67,78)(H,68,80)(H,69,79)(H,70,81)(H,71,83)(H,72,85)(H,73,84)(H,74,82)(H,87,88)(H4,64,65,66)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 81: 4983-7 (1984)


Article DOI: 10.1073/pnas.81.15.4983
BindingDB Entry DOI: 10.7270/Q2JM284N
More data for this
Ligand-Target Pair
Mas-related G protein-coupled receptor X2 (MRGPRX2)


(Homo sapiens (Human))
BDBM82083
PNG
(Alpha-Neoendorphin | CAS_69671-17-6 | CB0427223)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C60H89N15O13/c1-36(2)30-46(73-56(84)47(32-37-12-4-3-5-13-37)69-51(79)35-67-50(78)34-68-52(80)42(63)31-38-18-22-40(76)23-19-38)55(83)71-44(16-10-28-66-60(64)65)53(81)70-43(14-6-8-26-61)54(82)74-48(33-39-20-24-41(77)25-21-39)58(86)75-29-11-17-49(75)57(85)72-45(59(87)88)15-7-9-27-62/h3-5,12-13,18-25,36,42-49,76-77H,6-11,14-17,26-35,61-63H2,1-2H3,(H,67,78)(H,68,80)(H,69,79)(H,70,81)(H,71,83)(H,72,85)(H,73,84)(H,74,82)(H,87,88)(H4,64,65,66)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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n/an/an/an/a 4.30E+3n/an/a7.430



University of North Carolina



Assay Description
MRGPRX2 stable cells were maintained in DMEM containing 10% FBS, 100 μg/ml hygromycin B, and 15 μg/ml blasticidin. For the calcium mobiliza...


Nat Chem Biol 13: 529-536 (2017)


Article DOI: 10.1038/nchembio.2334
BindingDB Entry DOI: 10.7270/Q20R9N82
More data for this
Ligand-Target Pair