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Compile Data Set for Download or QSAR

Found 412 hits Enz. Inhib. hit(s) with Target = 'Motilin' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Motilin


(HUMAN)
BDBM50143037
PNG
(CHEMBL411576 | MOTILIN)
Show SMILES CCC(C)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)Cc1ccccc1)C(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(C(C)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CCC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCSC)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(O)=O)C(=O)NC(CCCCN)C(=O)NC(CCC(O)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC(N)=O)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(N)=O)C(O)=O
Show InChI InChI=1S/C120H188N34O35S/c1-9-64(6)97(152-114(184)86-31-22-53-154(86)117(187)96(63(4)5)151-99(169)70(123)56-66-23-12-10-13-24-66)115(185)150-84(57-67-25-14-11-15-26-67)113(183)153-98(65(7)155)116(186)149-83(58-68-32-34-69(156)35-33-68)101(171)135-60-91(161)136-75(39-45-93(163)164)105(175)147-82(55-62(2)3)111(181)145-77(37-43-88(125)158)106(176)140-73(29-20-51-132-119(128)129)103(173)146-80(48-54-190-8)110(180)142-76(36-42-87(124)157)107(177)144-79(41-47-95(167)168)108(178)139-72(28-17-19-50-122)102(172)143-78(40-46-94(165)166)109(179)141-74(30-21-52-133-120(130)131)104(174)148-85(59-90(127)160)112(182)138-71(27-16-18-49-121)100(170)134-61-92(162)137-81(118(188)189)38-44-89(126)159/h10-15,23-26,32-35,62-65,70-86,96-98,155-156H,9,16-22,27-31,36-61,121-123H2,1-8H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,134,170)(H,135,171)(H,136,161)(H,137,162)(H,138,182)(H,139,178)(H,140,176)(H,141,179)(H,142,180)(H,143,172)(H,144,177)(H,145,181)(H,146,173)(H,147,175)(H,148,174)(H,149,186)(H,150,185)(H,151,169)(H,152,184)(H,153,183)(H,163,164)(H,165,166)(H,167,168)(H,188,189)(H4,128,129,132)(H4,130,131,133)
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0.160n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359261
PNG
(CHEMBL1923617)
Show SMILES CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](C)N(C)C1=O
Show InChI InChI=1S/C30H41ClN4O4/c1-5-20(2)27-30(38)35(4)21(3)28(36)34-25(19-22-12-14-24(31)15-13-22)29(37)33-16-8-10-23-9-6-7-11-26(23)39-18-17-32-27/h6-7,9,11-15,20-21,25,27,32H,5,8,10,16-19H2,1-4H3,(H,33,37)(H,34,36)/t20-,21+,25+,27-/m0/s1
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0.350n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


Citation and Details
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50002694
PNG
(MOTILIN)
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](CCSC)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/C120H188N34O35S/c1-9-64(6)97(152-114(184)86-31-22-53-154(86)117(187)96(63(4)5)151-99(169)70(123)56-66-23-12-10-13-24-66)115(185)150-84(57-67-25-14-11-15-26-67)113(183)153-98(65(7)155)116(186)149-83(58-68-32-34-69(156)35-33-68)101(171)135-60-91(161)136-75(39-45-93(163)164)105(175)147-82(55-62(2)3)111(181)145-77(37-43-88(125)158)106(176)140-73(29-20-51-132-119(128)129)103(173)146-80(48-54-190-8)110(180)142-76(36-42-87(124)157)107(177)144-79(41-47-95(167)168)108(178)139-72(28-17-19-50-122)102(172)143-78(40-46-94(165)166)109(179)141-74(30-21-52-133-120(130)131)104(174)148-85(59-90(127)160)112(182)138-71(27-16-18-49-121)100(170)134-61-92(162)137-81(118(188)189)38-44-89(126)159/h10-15,23-26,32-35,62-65,70-86,96-98,155-156H,9,16-22,27-31,36-61,121-123H2,1-8H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,134,170)(H,135,171)(H,136,161)(H,137,162)(H,138,182)(H,139,178)(H,140,176)(H,141,179)(H,142,180)(H,143,172)(H,144,177)(H,145,181)(H,146,173)(H,147,175)(H,148,174)(H,149,186)(H,150,185)(H,151,169)(H,152,184)(H,153,183)(H,163,164)(H,165,166)(H,167,168)(H,188,189)(H4,128,129,132)(H4,130,131,133)/t64-,65+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80+,81-,82-,83-,84-,85-,86-,96-,97-,98-/m0/s1
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0.360n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]motilin from human MOTR


Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359239
PNG
(CHEMBL1923629)
Show SMILES C[C@@H]1CN[C@@H](C2CCCCC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1
Show InChI InChI=1S/C33H45FN4O4/c1-22-21-36-30(26-11-5-4-6-12-26)33(41)38(3)23(2)31(39)37-28(20-24-15-17-27(34)18-16-24)32(40)35-19-9-13-25-10-7-8-14-29(25)42-22/h7-8,10,14-18,22-23,26,28,30,36H,4-6,9,11-13,19-21H2,1-3H3,(H,35,40)(H,37,39)/t22-,23-,28-,30+/m1/s1
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0.380n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


Citation and Details
More data for this
Ligand-Target Pair
Motilin


(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




Citation and Details
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50143028
PNG
(8'N-[1-[1-carbamoyl-3-phenyl-(1S)-propylcarbamoyl]...)
Show SMILES NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C39H45N7O7/c40-34(47)29(14-11-26-7-3-1-4-8-26)42-35(48)30(15-12-27-9-5-2-6-10-27)43-36(49)31-17-18-39(19-21-41-22-20-39)46-38(51)44(37(50)45(31)46)24-28-13-16-32-33(23-28)53-25-52-32/h1-10,13,16,23,29-31,41H,11-12,14-15,17-22,24-25H2,(H2,40,47)(H,42,48)(H,43,49)/t29-,30-,31?/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human motilin receptor


Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359250
PNG
(CHEMBL1923640)
Show SMILES C[C@H]1N(C)C(=O)[C@@H](NC[C@H]2CCc3cccc(CCCNC(=O)[C@@H](Cc4ccc(F)cc4)NC1=O)c3O2)C1CC1
Show InChI InChI=1S/C31H39FN4O4/c1-19-29(37)35-26(17-20-8-13-24(32)14-9-20)30(38)33-16-4-7-22-5-3-6-23-12-15-25(40-28(22)23)18-34-27(21-10-11-21)31(39)36(19)2/h3,5-6,8-9,13-14,19,21,25-27,34H,4,7,10-12,15-18H2,1-2H3,(H,33,38)(H,35,37)/t19-,25-,26-,27+/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


Citation and Details
More data for this
Ligand-Target Pair
Motilin


(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




Citation and Details
More data for this
Ligand-Target Pair
Motilin


(HUMAN)
BDBM85614
PNG
([Leu13]motilin | [leu13]pMOT(1-22))
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(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C121H190N34O35/c1-10-65(8)98(153-115(185)87-32-23-53-155(87)118(188)97(64(6)7)152-100(170)71(124)56-67-24-13-11-14-25-67)116(186)151-85(57-68-26-15-12-16-27-68)114(184)154-99(66(9)156)117(187)150-84(58-69-33-35-70(157)36-34-69)102(172)136-60-92(162)137-76(40-46-94(164)165)106(176)148-83(55-63(4)5)112(182)145-77(37-43-88(125)158)107(177)141-74(30-21-51-133-120(129)130)104(174)147-82(54-62(2)3)111(181)146-78(38-44-89(126)159)108(178)144-80(42-48-96(168)169)109(179)140-73(29-18-20-50-123)103(173)143-79(41-47-95(166)167)110(180)142-75(31-22-52-134-121(131)132)105(175)149-86(59-91(128)161)113(183)139-72(28-17-19-49-122)101(171)135-61-93(163)138-81(119(189)190)39-45-90(127)160/h11-16,24-27,33-36,62-66,71-87,97-99,156-157H,10,17-23,28-32,37-61,122-124H2,1-9H3,(H2,125,158)(H2,126,159)(H2,127,160)(H2,128,161)(H,135,171)(H,136,172)(H,137,162)(H,138,163)(H,139,183)(H,140,179)(H,141,177)(H,142,180)(H,143,173)(H,144,178)(H,145,182)(H,146,181)(H,147,174)(H,148,176)(H,149,175)(H,150,187)(H,151,186)(H,152,170)(H,153,185)(H,154,184)(H,164,165)(H,166,167)(H,168,169)(H,189,190)(H4,129,130,133)(H4,131,132,134)/t65-,66+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,97-,98-,99-/m0/s1
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1n/an/an/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50143032
PNG
(8'N-[1-(1-carbamoyl-3-phenylpropylcarbamoyl)-3-phe...)
Show SMILES NC(=O)C(CCc1ccccc1)NC(=O)C(CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C39H45N7O7/c40-34(47)29(14-11-26-7-3-1-4-8-26)42-35(48)30(15-12-27-9-5-2-6-10-27)43-36(49)31-17-18-39(19-21-41-22-20-39)46-38(51)44(37(50)45(31)46)24-28-13-16-32-33(23-28)53-25-52-32/h1-10,13,16,23,29-31,41H,11-12,14-15,17-22,24-25H2,(H2,40,47)(H,42,48)(H,43,49)
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human motilin receptor


Citation and Details
More data for this
Ligand-Target Pair
Motilin


(HUMAN)
BDBM50143037
PNG
(CHEMBL411576 | MOTILIN)
Show SMILES CCC(C)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)Cc1ccccc1)C(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(C(C)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CCC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCSC)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(O)=O)C(=O)NC(CCCCN)C(=O)NC(CCC(O)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC(N)=O)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(N)=O)C(O)=O
Show InChI InChI=1S/C120H188N34O35S/c1-9-64(6)97(152-114(184)86-31-22-53-154(86)117(187)96(63(4)5)151-99(169)70(123)56-66-23-12-10-13-24-66)115(185)150-84(57-67-25-14-11-15-26-67)113(183)153-98(65(7)155)116(186)149-83(58-68-32-34-69(156)35-33-68)101(171)135-60-91(161)136-75(39-45-93(163)164)105(175)147-82(55-62(2)3)111(181)145-77(37-43-88(125)158)106(176)140-73(29-20-51-132-119(128)129)103(173)146-80(48-54-190-8)110(180)142-76(36-42-87(124)157)107(177)144-79(41-47-95(167)168)108(178)139-72(28-17-19-50-122)102(172)143-78(40-46-94(165)166)109(179)141-74(30-21-52-133-120(130)131)104(174)148-85(59-90(127)160)112(182)138-71(27-16-18-49-121)100(170)134-61-92(162)137-81(118(188)189)38-44-89(126)159/h10-15,23-26,32-35,62-65,70-86,96-98,155-156H,9,16-22,27-31,36-61,121-123H2,1-8H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,134,170)(H,135,171)(H,136,161)(H,137,162)(H,138,182)(H,139,178)(H,140,176)(H,141,179)(H,142,180)(H,143,172)(H,144,177)(H,145,181)(H,146,173)(H,147,175)(H,148,174)(H,149,186)(H,150,185)(H,151,169)(H,152,184)(H,153,183)(H,163,164)(H,165,166)(H,167,168)(H,188,189)(H4,128,129,132)(H4,130,131,133)
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1.29n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Motilin


(HUMAN)
BDBM85979
PNG
([ala3,leu13]pMOT(1-14))
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=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/C79H120N20O20/c1-10-44(8)65(97-62(105)40-88-76(117)64(43(6)7)98-68(109)50(80)36-46-18-13-11-14-19-46)77(118)96-58(37-47-20-15-12-16-21-47)75(116)99-66(45(9)100)78(119)95-57(38-48-23-25-49(101)26-24-48)69(110)87-39-61(104)89-53(29-32-63(106)107)71(112)94-56(35-42(4)5)74(115)92-54(28-31-60(82)103)72(113)91-52(22-17-33-86-79(84)85)70(111)93-55(34-41(2)3)73(114)90-51(67(83)108)27-30-59(81)102/h11-16,18-21,23-26,41-45,50-58,64-66,100-101H,10,17,22,27-40,80H2,1-9H3,(H2,81,102)(H2,82,103)(H2,83,108)(H,87,110)(H,88,117)(H,89,104)(H,90,114)(H,91,113)(H,92,115)(H,93,111)(H,94,112)(H,95,119)(H,96,118)(H,97,105)(H,98,109)(H,99,116)(H,106,107)(H4,84,85,86)/t44-,45+,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-,65-,66-/m0/s1
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1.32n/an/an/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Motilin


(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




Citation and Details
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50143038
PNG
(8'N-[1-[1-carbamoyl-3-phenyl-(1S)-propylcarbamoyl]...)
Show SMILES NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C39H43N7O7/c40-34(47)29(14-11-26-7-3-1-4-8-26)42-35(48)30(15-12-27-9-5-2-6-10-27)43-36(49)31-17-18-39(19-21-41-22-20-39)46-38(51)44(37(50)45(31)46)24-28-13-16-32-33(23-28)53-25-52-32/h1-10,13,16-18,23,29-31,41H,11-12,14-15,19-22,24-25H2,(H2,40,47)(H,42,48)(H,43,49)/t29-,30-,31?/m0/s1
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human motilin receptor


Citation and Details
More data for this
Ligand-Target Pair
Motilin


(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




Citation and Details
More data for this
Ligand-Target Pair
Motilin


(HUMAN)
BDBM85389
PNG
(CAS_52906-92-0 | Motilin)
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](CCSC)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/C120H188N34O35S/c1-9-64(6)97(152-114(184)86-31-22-53-154(86)117(187)96(63(4)5)151-99(169)70(123)56-66-23-12-10-13-24-66)115(185)150-84(57-67-25-14-11-15-26-67)113(183)153-98(65(7)155)116(186)149-83(58-68-32-34-69(156)35-33-68)101(171)135-60-91(161)136-75(39-45-93(163)164)105(175)147-82(55-62(2)3)111(181)145-77(37-43-88(125)158)106(176)140-73(29-20-51-132-119(128)129)103(173)146-80(48-54-190-8)110(180)142-76(36-42-87(124)157)107(177)144-79(41-47-95(167)168)108(178)139-72(28-17-19-50-122)102(172)143-78(40-46-94(165)166)109(179)141-74(30-21-52-133-120(130)131)104(174)148-85(59-90(127)160)112(182)138-71(27-16-18-49-121)100(170)134-61-92(162)137-81(118(188)189)38-44-89(126)159/h10-15,23-26,32-35,62-65,70-86,96-98,155-156H,9,16-22,27-31,36-61,121-123H2,1-8H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,134,170)(H,135,171)(H,136,161)(H,137,162)(H,138,182)(H,139,178)(H,140,176)(H,141,179)(H,142,180)(H,143,172)(H,144,177)(H,145,181)(H,146,173)(H,147,175)(H,148,174)(H,149,186)(H,150,185)(H,151,169)(H,152,184)(H,153,183)(H,163,164)(H,165,166)(H,167,168)(H,188,189)(H4,128,129,132)(H4,130,131,133)/t64-,65+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,96-,97-,98-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Mayo Clinic in Scottsdale

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359252
PNG
(CHEMBL1923642)
Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2cc(F)ccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC1=O)C1CC1
Show InChI InChI=1S/C29H36F2N4O4/c1-18-27(36)34-24(16-19-5-10-22(30)11-6-19)28(37)33-13-3-4-20-9-12-23(31)17-25(20)39-15-14-32-26(21-7-8-21)29(38)35(18)2/h5-6,9-12,17-18,21,24,26,32H,3-4,7-8,13-16H2,1-2H3,(H,33,37)(H,34,36)/t18-,24-,26+/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


Citation and Details
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50143039
PNG
(8'N-[1-[1-carbamoyl-3-phenyl-(1R)-propylcarbamoyl]...)
Show SMILES NC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@@H](CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C39H45N7O7/c40-34(47)29(14-11-26-7-3-1-4-8-26)42-35(48)30(15-12-27-9-5-2-6-10-27)43-36(49)31-17-18-39(19-21-41-22-20-39)46-38(51)44(37(50)45(31)46)24-28-13-16-32-33(23-28)53-25-52-32/h1-10,13,16,23,29-31,41H,11-12,14-15,17-22,24-25H2,(H2,40,47)(H,42,48)(H,43,49)/t29-,30-,31?/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human motilin receptor


Citation and Details
More data for this
Ligand-Target Pair
Motilin


(HUMAN)
BDBM85389
PNG
(CAS_52906-92-0 | Motilin)
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](CCSC)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/C120H188N34O35S/c1-9-64(6)97(152-114(184)86-31-22-53-154(86)117(187)96(63(4)5)151-99(169)70(123)56-66-23-12-10-13-24-66)115(185)150-84(57-67-25-14-11-15-26-67)113(183)153-98(65(7)155)116(186)149-83(58-68-32-34-69(156)35-33-68)101(171)135-60-91(161)136-75(39-45-93(163)164)105(175)147-82(55-62(2)3)111(181)145-77(37-43-88(125)158)106(176)140-73(29-20-51-132-119(128)129)103(173)146-80(48-54-190-8)110(180)142-76(36-42-87(124)157)107(177)144-79(41-47-95(167)168)108(178)139-72(28-17-19-50-122)102(172)143-78(40-46-94(165)166)109(179)141-74(30-21-52-133-120(130)131)104(174)148-85(59-90(127)160)112(182)138-71(27-16-18-49-121)100(170)134-61-92(162)137-81(118(188)189)38-44-89(126)159/h10-15,23-26,32-35,62-65,70-86,96-98,155-156H,9,16-22,27-31,36-61,121-123H2,1-8H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,134,170)(H,135,171)(H,136,161)(H,137,162)(H,138,182)(H,139,178)(H,140,176)(H,141,179)(H,142,180)(H,143,172)(H,144,177)(H,145,181)(H,146,173)(H,147,175)(H,148,174)(H,149,186)(H,150,185)(H,151,169)(H,152,184)(H,153,183)(H,163,164)(H,165,166)(H,167,168)(H,188,189)(H4,128,129,132)(H4,130,131,133)/t64-,65+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,96-,97-,98-/m0/s1
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2.82n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50143037
PNG
(CHEMBL411576 | MOTILIN)
Show SMILES CCC(C)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)Cc1ccccc1)C(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(C(C)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CCC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCSC)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(O)=O)C(=O)NC(CCCCN)C(=O)NC(CCC(O)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC(N)=O)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(N)=O)C(O)=O
Show InChI InChI=1S/C120H188N34O35S/c1-9-64(6)97(152-114(184)86-31-22-53-154(86)117(187)96(63(4)5)151-99(169)70(123)56-66-23-12-10-13-24-66)115(185)150-84(57-67-25-14-11-15-26-67)113(183)153-98(65(7)155)116(186)149-83(58-68-32-34-69(156)35-33-68)101(171)135-60-91(161)136-75(39-45-93(163)164)105(175)147-82(55-62(2)3)111(181)145-77(37-43-88(125)158)106(176)140-73(29-20-51-132-119(128)129)103(173)146-80(48-54-190-8)110(180)142-76(36-42-87(124)157)107(177)144-79(41-47-95(167)168)108(178)139-72(28-17-19-50-122)102(172)143-78(40-46-94(165)166)109(179)141-74(30-21-52-133-120(130)131)104(174)148-85(59-90(127)160)112(182)138-71(27-16-18-49-121)100(170)134-61-92(162)137-81(118(188)189)38-44-89(126)159/h10-15,23-26,32-35,62-65,70-86,96-98,155-156H,9,16-22,27-31,36-61,121-123H2,1-8H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,134,170)(H,135,171)(H,136,161)(H,137,162)(H,138,182)(H,139,178)(H,140,176)(H,141,179)(H,142,180)(H,143,172)(H,144,177)(H,145,181)(H,146,173)(H,147,175)(H,148,174)(H,149,186)(H,150,185)(H,151,169)(H,152,184)(H,153,183)(H,163,164)(H,165,166)(H,167,168)(H,188,189)(H4,128,129,132)(H4,130,131,133)
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3.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human motilin receptor


Citation and Details
More data for this
Ligand-Target Pair
Motilin


(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




Citation and Details
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50344952
PNG
((2R,3S,4R,5R,8R,9S,10S,11R,12S)-5-ethyl-11-((2S,3R...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(C[C@@H](C)O2)OC)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@H]1C
Show InChI InChI=1S/C38H67NO10/c1-14-28-23(6)30(40)24(7)32-20(3)17-38(11,49-32)34(48-36-31(41)27(39(12)15-2)16-21(4)45-36)25(8)33(26(9)35(42)46-28)47-29-19-37(10,43-13)18-22(5)44-29/h21-31,33-34,36,40-41H,14-19H2,1-13H3/t21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,31-,33+,34-,36+,37+,38-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human motilin receptor


Citation and Details
More data for this
Ligand-Target Pair
Motilin


(HUMAN)
BDBM85614
PNG
([Leu13]motilin | [leu13]pMOT(1-22))
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(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C121H190N34O35/c1-10-65(8)98(153-115(185)87-32-23-53-155(87)118(188)97(64(6)7)152-100(170)71(124)56-67-24-13-11-14-25-67)116(186)151-85(57-68-26-15-12-16-27-68)114(184)154-99(66(9)156)117(187)150-84(58-69-33-35-70(157)36-34-69)102(172)136-60-92(162)137-76(40-46-94(164)165)106(176)148-83(55-63(4)5)112(182)145-77(37-43-88(125)158)107(177)141-74(30-21-51-133-120(129)130)104(174)147-82(54-62(2)3)111(181)146-78(38-44-89(126)159)108(178)144-80(42-48-96(168)169)109(179)140-73(29-18-20-50-123)103(173)143-79(41-47-95(166)167)110(180)142-75(31-22-52-134-121(131)132)105(175)149-86(59-91(128)161)113(183)139-72(28-17-19-49-122)101(171)135-61-93(163)138-81(119(189)190)39-45-90(127)160/h11-16,24-27,33-36,62-66,71-87,97-99,156-157H,10,17-23,28-32,37-61,122-124H2,1-9H3,(H2,125,158)(H2,126,159)(H2,127,160)(H2,128,161)(H,135,171)(H,136,172)(H,137,162)(H,138,163)(H,139,183)(H,140,179)(H,141,177)(H,142,180)(H,143,173)(H,144,178)(H,145,182)(H,146,181)(H,147,174)(H,148,176)(H,149,175)(H,150,187)(H,151,186)(H,152,170)(H,153,185)(H,154,184)(H,164,165)(H,166,167)(H,168,169)(H,189,190)(H4,129,130,133)(H4,131,132,134)/t65-,66+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,97-,98-,99-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd.

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359259
PNG
(CHEMBL1923610)
Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC1=O)C1CC1
Show InChI InChI=1S/C29H38N4O4/c1-20-27(34)32-24(19-21-9-4-3-5-10-21)28(35)31-16-8-12-22-11-6-7-13-25(22)37-18-17-30-26(23-14-15-23)29(36)33(20)2/h3-7,9-11,13,20,23-24,26,30H,8,12,14-19H2,1-2H3,(H,31,35)(H,32,34)/t20-,24-,26+/m1/s1
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4.40n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


Citation and Details
More data for this
Ligand-Target Pair
Motilin


(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




Citation and Details
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50214268
PNG
((5R,8R,11S)-8-(propan-2-yl)-11-(pyrrolidin-1-ylmet...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(c2)C(F)(F)F)NCCOc2ccccc2CCCNC(=O)[C@H](CN2CCCC2)NC1=O
Show InChI InChI=1S/C33H44F3N5O4/c1-22(2)29-32(44)39-27(21-41-16-5-6-17-41)30(42)38-14-8-11-24-10-3-4-13-28(24)45-18-15-37-26(31(43)40-29)20-23-9-7-12-25(19-23)33(34,35)36/h3-4,7,9-10,12-13,19,22,26-27,29,37H,5-6,8,11,14-18,20-21H2,1-2H3,(H,38,42)(H,39,44)(H,40,43)/t26-,27+,29-/m1/s1
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4.60n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-motilin from human motilin receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359238
PNG
(CHEMBL1923628)
Show SMILES C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)c(C)c2)C(=O)NCCCc2ccccc2O1
Show InChI InChI=1S/C31H41FN4O4/c1-19-16-22(11-14-25(19)32)17-26-30(38)33-15-7-9-23-8-5-6-10-27(23)40-20(2)18-34-28(24-12-13-24)31(39)36(4)21(3)29(37)35-26/h5-6,8,10-11,14,16,20-21,24,26,28,34H,7,9,12-13,15,17-18H2,1-4H3,(H,33,38)(H,35,37)/t20-,21-,26-,28+/m1/s1
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4.80n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359237
PNG
(CHEMBL1923627)
Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(C)cc2)NC1=O)C1CC1
Show InChI InChI=1S/C30H40N4O4/c1-20-10-12-22(13-11-20)19-25-29(36)32-16-6-8-23-7-4-5-9-26(23)38-18-17-31-27(24-14-15-24)30(37)34(3)21(2)28(35)33-25/h4-5,7,9-13,21,24-25,27,31H,6,8,14-19H2,1-3H3,(H,32,36)(H,33,35)/t21-,25-,27+/m1/s1
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5n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


Citation and Details
More data for this
Ligand-Target Pair
Motilin


(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




Citation and Details
More data for this
Ligand-Target Pair
Motilin


(HUMAN)
BDBM85389
PNG
(CAS_52906-92-0 | Motilin)
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](CCSC)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/C120H188N34O35S/c1-9-64(6)97(152-114(184)86-31-22-53-154(86)117(187)96(63(4)5)151-99(169)70(123)56-66-23-12-10-13-24-66)115(185)150-84(57-67-25-14-11-15-26-67)113(183)153-98(65(7)155)116(186)149-83(58-68-32-34-69(156)35-33-68)101(171)135-60-91(161)136-75(39-45-93(163)164)105(175)147-82(55-62(2)3)111(181)145-77(37-43-88(125)158)106(176)140-73(29-20-51-132-119(128)129)103(173)146-80(48-54-190-8)110(180)142-76(36-42-87(124)157)107(177)144-79(41-47-95(167)168)108(178)139-72(28-17-19-50-122)102(172)143-78(40-46-94(165)166)109(179)141-74(30-21-52-133-120(130)131)104(174)148-85(59-90(127)160)112(182)138-71(27-16-18-49-121)100(170)134-61-92(162)137-81(118(188)189)38-44-89(126)159/h10-15,23-26,32-35,62-65,70-86,96-98,155-156H,9,16-22,27-31,36-61,121-123H2,1-8H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,134,170)(H,135,171)(H,136,161)(H,137,162)(H,138,182)(H,139,178)(H,140,176)(H,141,179)(H,142,180)(H,143,172)(H,144,177)(H,145,181)(H,146,173)(H,147,175)(H,148,174)(H,149,186)(H,150,185)(H,151,169)(H,152,184)(H,153,183)(H,163,164)(H,165,166)(H,167,168)(H,188,189)(H4,128,129,132)(H4,130,131,133)/t64-,65+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,96-,97-,98-/m0/s1
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5.25n/an/an/an/an/an/an/an/a



Kosan Biosciences, Inc.

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50214266
PNG
((5R,8R,11S)-11-[(methylamino)methyl]-8-(propan-2-y...)
Show SMILES CNC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2cccc(c2)C(F)(F)F)NCCOc2ccccc2CCCNC1=O)C(C)C
Show InChI InChI=1S/C30H40F3N5O4/c1-19(2)26-29(41)37-24(18-34-3)27(39)36-13-7-10-21-9-4-5-12-25(21)42-15-14-35-23(28(40)38-26)17-20-8-6-11-22(16-20)30(31,32)33/h4-6,8-9,11-12,16,19,23-24,26,34-35H,7,10,13-15,17-18H2,1-3H3,(H,36,39)(H,37,41)(H,38,40)/t23-,24+,26-/m1/s1
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6n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-motilin from human motilin receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50214264
PNG
(1-{[(5R,8R,11S)-6,9,12-trioxo-8-(propan-2-yl)-5-{[...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(c2)C(F)(F)F)NCCOc2ccccc2CCCNC(=O)[C@H](CN=C(N)N)NC1=O
Show InChI InChI=1S/C30H40F3N7O4/c1-18(2)25-28(43)39-23(17-38-29(34)35)26(41)37-12-6-9-20-8-3-4-11-24(20)44-14-13-36-22(27(42)40-25)16-19-7-5-10-21(15-19)30(31,32)33/h3-5,7-8,10-11,15,18,22-23,25,36H,6,9,12-14,16-17H2,1-2H3,(H,37,41)(H,39,43)(H,40,42)(H4,34,35,38)/t22-,23+,25-/m1/s1
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6n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-motilin from human motilin receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50214270
PNG
(1-{[(5R,8R,11S)-5-[(4-chlorophenyl)methyl]-6,9,12-...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(Cl)cc2)NCCOc2ccccc2CCCNC(=O)[C@H](CN=C(N)N)NC1=O
Show InChI InChI=1S/C29H40ClN7O4/c1-18(2)25-28(40)36-23(17-35-29(31)32)26(38)34-13-5-7-20-6-3-4-8-24(20)41-15-14-33-22(27(39)37-25)16-19-9-11-21(30)12-10-19/h3-4,6,8-12,18,22-23,25,33H,5,7,13-17H2,1-2H3,(H,34,38)(H,36,40)(H,37,39)(H4,31,32,35)/t22-,23+,25-/m1/s1
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6n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-motilin from human motilin receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Motilin


(HUMAN)
BDBM85989
PNG
(N-ethyl, N-methyl Erythromycin-A enol ether)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O
Show InChI InChI=1S/C38H67NO12/c1-14-26-38(11,44)31(41)21(5)29-19(3)17-37(10,51-29)33(50-35-28(40)25(39(12)15-2)16-20(4)46-35)22(6)30(23(7)34(43)48-26)49-27-18-36(9,45-13)32(42)24(8)47-27/h20-28,30-33,35,40-42,44H,14-18H2,1-13H3/t20-,21+,22+,23-,24+,25+,26-,27+,28-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
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6.03n/an/an/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359233
PNG
(CHEMBL1923623)
Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2F)NC1=O)C1CC1
Show InChI InChI=1S/C29H37FN4O4/c1-19-27(35)33-24(18-22-9-3-5-11-23(22)30)28(36)32-15-7-10-20-8-4-6-12-25(20)38-17-16-31-26(21-13-14-21)29(37)34(19)2/h3-6,8-9,11-12,19,21,24,26,31H,7,10,13-18H2,1-2H3,(H,32,36)(H,33,35)/t19-,24-,26+/m1/s1
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6.20n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


Citation and Details
More data for this
Ligand-Target Pair
Motilin


(HUMAN)
BDBM85980
PNG
([ala12,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](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C79H117N17O20/c1-11-44(8)65(94-76(113)59-23-18-34-96(59)79(116)64(43(6)7)93-69(106)51(80)37-47-19-14-12-15-20-47)77(114)92-58(38-48-21-16-13-17-22-48)75(112)95-66(46(10)97)78(115)91-57(39-49-24-26-50(98)27-25-49)70(107)84-40-62(101)86-53(30-33-63(102)103)72(109)90-56(36-42(4)5)74(111)88-54(29-32-61(82)100)71(108)85-45(9)68(105)89-55(35-41(2)3)73(110)87-52(67(83)104)28-31-60(81)99/h12-17,19-22,24-27,41-46,51-59,64-66,97-98H,11,18,23,28-40,80H2,1-10H3,(H2,81,99)(H2,82,100)(H2,83,104)(H,84,107)(H,85,108)(H,86,101)(H,87,110)(H,88,111)(H,89,105)(H,90,109)(H,91,115)(H,92,114)(H,93,106)(H,94,113)(H,95,112)(H,102,103)/t44-,45-,46+,51-,52-,53-,54-,55-,56-,57-,58-,59-,64-,65-,66-/m0/s1
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6.31n/an/an/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359282
PNG
(CHEMBL1923609)
Show SMILES CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O
Show InChI InChI=1S/C30H42N4O4/c1-5-21(2)27-30(37)34(4)22(3)28(35)33-25(20-23-12-7-6-8-13-23)29(36)32-17-11-15-24-14-9-10-16-26(24)38-19-18-31-27/h6-10,12-14,16,21-22,25,27,31H,5,11,15,17-20H2,1-4H3,(H,32,36)(H,33,35)/t21-,22+,25+,27-/m0/s1
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6.40n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359236
PNG
(CHEMBL1923626)
Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(cc2)C(F)(F)F)NC1=O)C1CC1
Show InChI InChI=1S/C30H37F3N4O4/c1-19-27(38)36-24(18-20-9-13-23(14-10-20)30(31,32)33)28(39)35-15-5-7-21-6-3-4-8-25(21)41-17-16-34-26(22-11-12-22)29(40)37(19)2/h3-4,6,8-10,13-14,19,22,24,26,34H,5,7,11-12,15-18H2,1-2H3,(H,35,39)(H,36,38)/t19-,24-,26+/m1/s1
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7n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


Citation and Details
More data for this
Ligand-Target Pair
Motilin


(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




Citation and Details
More data for this
Ligand-Target Pair
Motilin


(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




Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359235
PNG
(CHEMBL1923625)
Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC1=O)C1CC1
Show InChI InChI=1S/C29H37FN4O4/c1-19-27(35)33-24(18-20-9-13-23(30)14-10-20)28(36)32-15-5-7-21-6-3-4-8-25(21)38-17-16-31-26(22-11-12-22)29(37)34(19)2/h3-4,6,8-10,13-14,19,22,24,26,31H,5,7,11-12,15-18H2,1-2H3,(H,32,36)(H,33,35)/t19-,24-,26+/m1/s1
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7.30n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


Citation and Details
More data for this
Ligand-Target Pair
Motilin


(HUMAN)
BDBM85993
PNG
(Erythromycin-B enol ether)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)C2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@H]1C
Show InChI InChI=1S/C37H65NO11/c1-14-26-20(4)28(39)21(5)30-18(2)16-37(10,49-30)33(48-35-29(40)25(38(11)12)15-19(3)44-35)22(6)31(23(7)34(42)46-26)47-27-17-36(9,43-13)32(41)24(8)45-27/h19-29,31-33,35,39-41H,14-17H2,1-13H3/t19-,20+,21-,22+,23-,24+,25+,26-,27+,28+,29-,31+,32+,33-,35+,36-,37?/m1/s1
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7.59n/an/an/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50199368
PNG
((9R,12R,15S)-12-isopropyl-9-(4-methoxy-benzyl)-15-...)
Show SMILES CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(OC)cc2)NCCOc2ccccc2CCCNC1=O)C(C)C
Show InChI InChI=1S/C31H44N4O5/c1-5-9-25-29(36)33-17-8-11-23-10-6-7-12-27(23)40-19-18-32-26(20-22-13-15-24(39-4)16-14-22)30(37)35-28(21(2)3)31(38)34-25/h6-7,10,12-16,21,25-26,28,32H,5,8-9,11,17-20H2,1-4H3,(H,33,36)(H,34,38)(H,35,37)/t25-,26+,28+/m0/s1
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8n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]motilin from human MOTR


Citation and Details
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50199372
PNG
((9R,12R,15S)-12-isopropyl-9-naphthalen-1-ylmethyl-...)
Show SMILES CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2cccc3ccccc23)NCCOc2ccccc2CCCNC1=O)C(C)C
Show InChI InChI=1S/C34H44N4O4/c1-4-11-28-32(39)36-19-10-16-25-13-6-8-18-30(25)42-21-20-35-29(33(40)38-31(23(2)3)34(41)37-28)22-26-15-9-14-24-12-5-7-17-27(24)26/h5-9,12-15,17-18,23,28-29,31,35H,4,10-11,16,19-22H2,1-3H3,(H,36,39)(H,37,41)(H,38,40)/t28-,29+,31+/m0/s1
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8.30n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]motilin from human MOTR


Citation and Details
More data for this
Ligand-Target Pair
Motilin


(HUMAN)
BDBM85846
PNG
(CAS_33396-29-1 | EM523 | Erythromycin A 6,9-enolet...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O
Show InChI InChI=1S/C37H65NO12/c1-14-25-37(10,43)30(40)20(4)28-18(2)16-36(9,50-28)32(49-34-27(39)24(38(11)12)15-19(3)45-34)21(5)29(22(6)33(42)47-25)48-26-17-35(8,44-13)31(41)23(7)46-26/h19-27,29-32,34,39-41,43H,14-17H2,1-13H3/t19-,20+,21+,22-,23+,24+,25-,26+,27-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
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8.32n/an/an/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359247
PNG
(CHEMBL1923637)
Show SMILES CC1COc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](N1)C1CC1
Show InChI InChI=1S/C30H39FN4O4/c1-19-18-39-26-9-5-4-7-22(26)8-6-16-32-29(37)25(17-21-10-14-24(31)15-11-21)34-28(36)20(2)35(3)30(38)27(33-19)23-12-13-23/h4-5,7,9-11,14-15,19-20,23,25,27,33H,6,8,12-13,16-18H2,1-3H3,(H,32,37)(H,34,36)/t19?,20-,25-,27+/m1/s1
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9n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


Citation and Details
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50199359
PNG
((9R,12R,15S)-9-benzo[b]thiophen-3-ylmethyl-12-isop...)
Show SMILES CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2csc3ccccc23)NCCOc2ccccc2CCCNC1=O)C(C)C
Show InChI InChI=1S/C32H42N4O4S/c1-4-10-25-30(37)34-16-9-12-22-11-5-7-14-27(22)40-18-17-33-26(31(38)36-29(21(2)3)32(39)35-25)19-23-20-41-28-15-8-6-13-24(23)28/h5-8,11,13-15,20-21,25-26,29,33H,4,9-10,12,16-19H2,1-3H3,(H,34,37)(H,35,39)(H,36,38)/t25-,26+,29+/m0/s1
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11n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]motilin from human MOTR


Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359249
PNG
(CHEMBL1923639)
Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCC(C)(C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC1=O)C1CC1
Show InChI InChI=1S/C31H41FN4O4/c1-20-28(37)35-25(18-21-11-15-24(32)16-12-21)29(38)33-17-7-9-22-8-5-6-10-26(22)40-31(2,3)19-34-27(23-13-14-23)30(39)36(20)4/h5-6,8,10-12,15-16,20,23,25,27,34H,7,9,13-14,17-19H2,1-4H3,(H,33,38)(H,35,37)/t20-,25-,27+/m1/s1
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12n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


Citation and Details
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50214272
PNG
((5R,8R,11S)-11-(aminomethyl)-8-(propan-2-yl)-5-{[3...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(c2)C(F)(F)F)NCCOc2ccccc2CCCNC(=O)[C@H](CN)NC1=O
Show InChI InChI=1S/C29H38F3N5O4/c1-18(2)25-28(40)36-23(17-33)26(38)35-12-6-9-20-8-3-4-11-24(20)41-14-13-34-22(27(39)37-25)16-19-7-5-10-21(15-19)29(30,31)32/h3-5,7-8,10-11,15,18,22-23,25,34H,6,9,12-14,16-17,33H2,1-2H3,(H,35,38)(H,36,40)(H,37,39)/t22-,23+,25-/m1/s1
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15n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-motilin from human motilin receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Appetite-regulating hormone


(Homo sapiens)
BDBM50359262
PNG
(CHEMBL1923621)
Show SMILES C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)NCCCc2ccccc2O1
Show InChI InChI=1S/C30H39ClN4O4/c1-19-18-33-27(23-12-13-23)30(38)35(3)20(2)28(36)34-25(17-21-10-14-24(31)15-11-21)29(37)32-16-6-8-22-7-4-5-9-26(22)39-19/h4-5,7,9-11,14-15,19-20,23,25,27,33H,6,8,12-13,16-18H2,1-3H3,(H,32,37)(H,34,36)/t19-,20-,25-,27+/m1/s1
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15n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay


Citation and Details
More data for this
Ligand-Target Pair
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