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Compile Data Set for Download or QSAR

Found 211 hits of ec50 data for polymerid = 50000070,50001186   
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 receptor


(Homo sapiens)
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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n/an/an/an/a 0.0398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in CHO cells assessed as increase in intracellular calcium by FLIPR assay


J Med Chem 52: 1180-9 (2009)

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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n/an/an/an/a 0.0470n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human motilin receptor


J Med Chem 47: 1704-8 (2004)

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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n/an/an/an/a 0.150n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human motilin receptor


J Med Chem 47: 1704-8 (2004)

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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n/an/an/an/a 0.220n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human motilin receptor


J Med Chem 47: 1704-8 (2004)

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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n/an/an/an/a 0.350n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human motilin receptor


J Med Chem 47: 1704-8 (2004)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50412537
PNG
(CHEMBL465917)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2cccnc2C(=O)N2CCC(CC2)Nc2ccc(F)c(F)c2)C[C@@H](C)N1
Show InChI InChI=1S/C30H35F2N5O/c1-20-17-36(18-21(2)34-20)19-22-5-7-23(8-6-22)26-4-3-13-33-29(26)30(38)37-14-11-24(12-15-37)35-25-9-10-27(31)28(32)16-25/h3-10,13,16,20-21,24,34-35H,11-12,14-15,17-19H2,1-2H3/t20-,21+
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n/an/an/an/a 2n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 18: 6429-36 (2008)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50412526
PNG
(CHEMBL518618)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2C(=O)N2CCC(CC2)Nc2ccc(F)cc2)C[C@@H](C)N1
Show InChI InChI=1S/C31H37FN4O/c1-22-19-35(20-23(2)33-22)21-24-7-9-25(10-8-24)29-5-3-4-6-30(29)31(37)36-17-15-28(16-18-36)34-27-13-11-26(32)12-14-27/h3-14,22-23,28,33-34H,15-21H2,1-2H3/t22-,23+
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n/an/an/an/a 2.51n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 18: 6429-36 (2008)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50311412
PNG
(CHEMBL1080046 | N-(3-((1H-pyrazol-3-yl)methyl)-2,3...)
Show SMILES CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1
Show InChI InChI=1S/C24H30N4O2S/c1-2-3-4-19-5-9-24(10-6-19)31(29,30)27-22-8-7-20-12-15-28(16-13-21(20)17-22)18-23-11-14-25-26-23/h5-11,14,17,27H,2-4,12-13,15-16,18H2,1H3,(H,25,26)
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n/an/an/an/a 2.51n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in CHO cells by FLIPR assay


Bioorg Med Chem Lett 19: 6452-8 (2009)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50412523
PNG
(CHEMBL465271)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2CN(C)C(=O)CSc2ccccc2)C[C@@H](C)N1
Show InChI InChI=1S/C29H35N3OS/c1-22-17-32(18-23(2)30-22)19-24-13-15-25(16-14-24)28-12-8-7-9-26(28)20-31(3)29(33)21-34-27-10-5-4-6-11-27/h4-16,22-23,30H,17-21H2,1-3H3/t22-,23+
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n/an/an/an/a 3.16n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 18: 6429-36 (2008)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50415674
PNG
(CHEMBL1079186)
Show SMILES CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(Cc3[nH]cnc3C)CCc2c1
Show InChI InChI=1S/C25H32N4O2S/c1-3-4-5-20-6-10-24(11-7-20)32(30,31)28-23-9-8-21-12-14-29(15-13-22(21)16-23)17-25-19(2)26-18-27-25/h6-11,16,18,28H,3-5,12-15,17H2,1-2H3,(H,26,27)
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n/an/an/an/a 3.16n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in CHO cells by FLIPR assay


Bioorg Med Chem Lett 19: 6452-8 (2009)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50311416
PNG
(CHEMBL1078208 | N-(3-((1H-pyrazol-3-yl)methyl)-2,3...)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1
Show InChI InChI=1S/C23H28N4O3S/c1-17(2)30-22-5-7-23(8-6-22)31(28,29)26-20-4-3-18-10-13-27(14-11-19(18)15-20)16-21-9-12-24-25-21/h3-9,12,15,17,26H,10-11,13-14,16H2,1-2H3,(H,24,25)
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n/an/an/an/a 3.98n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in CHO cells by FLIPR assay


Bioorg Med Chem Lett 19: 6452-8 (2009)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50292985
PNG
(3-((1-[(4-([(3S)-3-Methyl-1-piperazinyl]methyl)phe...)
Show SMILES C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc3cccc(c3)C#N)cc2)CCN1
Show InChI InChI=1S/C26H33N5O/c1-20-18-30(14-11-28-20)19-22-7-5-21(6-8-22)16-26(32)31-12-9-24(10-13-31)29-25-4-2-3-23(15-25)17-27/h2-8,15,20,24,28-29H,9-14,16,18-19H2,1H3/t20-/m0/s1
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n/an/an/an/a 3.98n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in CHO cells assessed as increase in intracellular calcium by FLIPR assay


J Med Chem 52: 1180-9 (2009)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50247157
PNG
((3-(4-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)...)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2cccnc2C(=O)N2CCC(CC2)Nc2ccc(F)cc2)C[C@@H](C)N1
Show InChI InChI=1S/C30H36FN5O/c1-21-18-35(19-22(2)33-21)20-23-5-7-24(8-6-23)28-4-3-15-32-29(28)30(37)36-16-13-27(14-17-36)34-26-11-9-25(31)10-12-26/h3-12,15,21-22,27,33-34H,13-14,16-20H2,1-2H3/t21-,22+
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n/an/an/an/a 3.98n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in CHO cells assessed as increase in intracellular calcium by FLIPR assay


J Med Chem 52: 1180-9 (2009)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50412539
PNG
(CHEMBL518229)
Show SMILES C[C@H]1CN(Cc2ccc(cc2F)-c2cccnc2C(=O)N2CCC(CC2)Nc2ccc(F)cc2)C[C@@H](C)N1
Show InChI InChI=1S/C30H35F2N5O/c1-20-17-36(18-21(2)34-20)19-23-6-5-22(16-28(23)32)27-4-3-13-33-29(27)30(38)37-14-11-26(12-15-37)35-25-9-7-24(31)8-10-25/h3-10,13,16,20-21,26,34-35H,11-12,14-15,17-19H2,1-2H3/t20-,21+
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n/an/an/an/a 3.98n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 18: 6429-36 (2008)

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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n/an/an/an/a 4.20n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human motilin receptor


J Med Chem 47: 1704-8 (2004)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50311415
PNG
(CHEMBL1078490 | N-(3-((1H-pyrazol-3-yl)methyl)-2,3...)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1
Show InChI InChI=1S/C25H30N4O3S/c1-25(2)11-7-20-16-23(5-6-24(20)32-25)33(30,31)28-21-4-3-18-9-13-29(14-10-19(18)15-21)17-22-8-12-26-27-22/h3-6,8,12,15-16,28H,7,9-11,13-14,17H2,1-2H3,(H,26,27)
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n/an/an/an/a 5.01n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in CHO cells by FLIPR assay


Bioorg Med Chem Lett 19: 6452-8 (2009)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50254970
PNG
(CHEMBL479419 | [4'-((3R,5S)-3,5-Dimethyl-piperazin...)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2C(=O)N2CCC(CC2)Nc2ccccc2)C[C@@H](C)N1
Show InChI InChI=1S/C31H38N4O/c1-23-20-34(21-24(2)32-23)22-25-12-14-26(15-13-25)29-10-6-7-11-30(29)31(36)35-18-16-28(17-19-35)33-27-8-4-3-5-9-27/h3-15,23-24,28,32-33H,16-22H2,1-2H3/t23-,24+
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n/an/an/an/a 5.01n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 18: 6429-36 (2008)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50311423
PNG
(7-((6-(4-fluorophenyl)pyridin-3-ylsulfonyl)methyl)...)
Show SMILES Fc1ccc(cc1)-c1ccc(cn1)S(=O)(=O)Cc1ccc2CCNCCc2c1
Show InChI InChI=1S/C22H21FN2O2S/c23-20-5-3-18(4-6-20)22-8-7-21(14-25-22)28(26,27)15-16-1-2-17-9-11-24-12-10-19(17)13-16/h1-8,13-14,24H,9-12,15H2
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n/an/an/an/a 5.01n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in CHO cells by FLIPR assay


Bioorg Med Chem Lett 19: 6452-8 (2009)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50412541
PNG
(CHEMBL465095)
Show SMILES COc1cc(ccc1CN1C[C@H](C)N[C@H](C)C1)-c1cccnc1C(=O)N1CCC(CC1)Nc1ccc(F)cc1
Show InChI InChI=1S/C31H38FN5O2/c1-21-18-36(19-22(2)34-21)20-24-7-6-23(17-29(24)39-3)28-5-4-14-33-30(28)31(38)37-15-12-27(13-16-37)35-26-10-8-25(32)9-11-26/h4-11,14,17,21-22,27,34-35H,12-13,15-16,18-20H2,1-3H3/t21-,22+
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n/an/an/an/a 5.01n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 18: 6429-36 (2008)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50412531
PNG
(CHEMBL463881)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2cccnc2C(=O)N2CCC(CC2)Nc2cccc(F)c2)C[C@@H](C)N1
Show InChI InChI=1S/C30H36FN5O/c1-21-18-35(19-22(2)33-21)20-23-8-10-24(11-9-23)28-7-4-14-32-29(28)30(37)36-15-12-26(13-16-36)34-27-6-3-5-25(31)17-27/h3-11,14,17,21-22,26,33-34H,12-13,15-16,18-20H2,1-2H3/t21-,22+
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n/an/an/an/a 6.31n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 18: 6429-36 (2008)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50311413
PNG
(CHEMBL1078595 | N-(3-((1H-pyrazol-3-yl)methyl)-2,3...)
Show SMILES O=S(=O)(Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1)c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C23H28N6O3S/c30-33(31,22-3-4-23(24-16-22)29-11-13-32-14-12-29)27-20-2-1-18-6-9-28(10-7-19(18)15-20)17-21-5-8-25-26-21/h1-5,8,15-16,27H,6-7,9-14,17H2,(H,25,26)
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n/an/an/an/a 6.31n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in CHO cells by FLIPR assay


Bioorg Med Chem Lett 19: 6452-8 (2009)

More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
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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n/an/an/an/a 7n/an/an/an/a



Kosan Biosciences, Inc

Curated by ChEMBL


Assay Description
Agonist activity at motilin receptor in rabbit smooth muscle assessed as increase of muscle contraction


Bioorg Med Chem Lett 20: 5658-61 (2010)

More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
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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n/an/an/an/a 7n/an/an/an/a



Kosan Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at motilin receptor in rabbit smooth muscle assessed as maximal possible tissue contraction


J Med Chem 52: 6851-9 (2009)

More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
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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n/an/an/an/a 7n/an/an/an/a



Kosan Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at motilin receptor in rabbit smooth muscle assessed as maximal possible tissue contraction


Bioorg Med Chem Lett 21: 3712-4 (2011)

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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n/an/an/an/a 7.30n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human motilin receptor


J Med Chem 47: 1704-8 (2004)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50311414
PNG
(CHEMBL1078492 | N-(3-((1H-pyrazol-3-yl)methyl)-2,3...)
Show SMILES O=S(=O)(Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1)c1ccc(s1)-c1ccccn1
Show InChI InChI=1S/C23H23N5O2S2/c29-32(30,23-7-6-22(31-23)21-3-1-2-11-24-21)27-19-5-4-17-9-13-28(14-10-18(17)15-19)16-20-8-12-25-26-20/h1-8,11-12,15,27H,9-10,13-14,16H2,(H,25,26)
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n/an/an/an/a 7.94n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in CHO cells by FLIPR assay


Bioorg Med Chem Lett 19: 6452-8 (2009)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50254931
PNG
(4'-((3R,5S)-3,5-Dimethyl-piperazin-1-ylmethyl)-bip...)
Show SMILES CCN(CCc1ccccc1)C(=O)c1ccccc1-c1ccc(CN2C[C@H](C)N[C@H](C)C2)cc1
Show InChI InChI=1S/C30H37N3O/c1-4-33(19-18-25-10-6-5-7-11-25)30(34)29-13-9-8-12-28(29)27-16-14-26(15-17-27)22-32-20-23(2)31-24(3)21-32/h5-17,23-24,31H,4,18-22H2,1-3H3/t23-,24+
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n/an/an/an/a 7.94n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 18: 6429-36 (2008)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50415675
PNG
(CHEMBL1079185)
Show SMILES CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(Cc3cnc[nH]3)CCc2c1
Show InChI InChI=1S/C24H30N4O2S/c1-2-3-4-19-5-9-24(10-6-19)31(29,30)27-22-8-7-20-11-13-28(14-12-21(20)15-22)17-23-16-25-18-26-23/h5-10,15-16,18,27H,2-4,11-14,17H2,1H3,(H,25,26)
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n/an/an/an/a 7.94n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in CHO cells by FLIPR assay


Bioorg Med Chem Lett 19: 6452-8 (2009)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50415663
PNG
(CHEMBL1078267)
Show SMILES Clc1ccc(cc1)-c1ccc(cn1)S(=O)(=O)Cc1ccc2CCNCCc2c1
Show InChI InChI=1S/C22H21ClN2O2S/c23-20-5-3-18(4-6-20)22-8-7-21(14-25-22)28(26,27)15-16-1-2-17-9-11-24-12-10-19(17)13-16/h1-8,13-14,24H,9-12,15H2
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n/an/an/an/a 7.94n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in CHO cells by FLIPR assay


Bioorg Med Chem Lett 19: 6452-8 (2009)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50255062
PNG
(CHEMBL465925 | {3-[4-((3R,5S)-3,5-Dimethyl-piperaz...)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2cccnc2C(=O)N2CCC(Cc3ccc(F)cc3)CC2)C[C@@H](C)N1
Show InChI InChI=1S/C31H37FN4O/c1-22-19-35(20-23(2)34-22)21-26-5-9-27(10-6-26)29-4-3-15-33-30(29)31(37)36-16-13-25(14-17-36)18-24-7-11-28(32)12-8-24/h3-12,15,22-23,25,34H,13-14,16-21H2,1-2H3/t22-,23+
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n/an/an/an/a 10n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 18: 6429-36 (2008)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50254968
PNG
(CHEMBL479418 | [4'-((3R,5S)-3,5-Dimethyl-piperazin...)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2C(=O)N2CCC(Cc3ccc(F)cc3)CC2)C[C@@H](C)N1
Show InChI InChI=1S/C32H38FN3O/c1-23-20-35(21-24(2)34-23)22-27-7-11-28(12-8-27)30-5-3-4-6-31(30)32(37)36-17-15-26(16-18-36)19-25-9-13-29(33)14-10-25/h3-14,23-24,26,34H,15-22H2,1-2H3/t23-,24+
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n/an/an/an/a 10n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 18: 6429-36 (2008)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50254893
PNG
(2-Benzenesulfonyl-N-[4'-((3R,5S)-3,5-dimethyl-pipe...)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2CN(C)C(=O)CS(=O)(=O)c2ccccc2)C[C@@H](C)N1
Show InChI InChI=1S/C29H35N3O3S/c1-22-17-32(18-23(2)30-22)19-24-13-15-25(16-14-24)28-12-8-7-9-26(28)20-31(3)29(33)21-36(34,35)27-10-5-4-6-11-27/h4-16,22-23,30H,17-21H2,1-3H3/t22-,23+
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n/an/an/an/a 10n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 18: 6429-36 (2008)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50254851
PNG
(3-Cyclohexyl-1-[4'-((3R,5S)-3,5-dimethyl-piperazin...)
Show SMILES COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3C[C@H](C)N[C@H](C)C3)cc2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C36H48N4O2/c1-27-23-39(24-28(2)37-27)25-30-16-18-31(19-17-30)35-15-8-7-11-32(35)26-40(36(41)38-33-12-5-4-6-13-33)21-20-29-10-9-14-34(22-29)42-3/h7-11,14-19,22,27-28,33,37H,4-6,12-13,20-21,23-26H2,1-3H3,(H,38,41)/t27-,28+
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n/an/an/an/a 10n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in CHO cells by FLIPR assay


Bioorg Med Chem Lett 18: 6429-36 (2008)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50292981
PNG
(CHEMBL489094 | N-(4-Fluorophenyl)-1-[(4-([(3S)-3-m...)
Show SMILES C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc3ccc(F)cc3)cc2)CCN1
Show InChI InChI=1S/C25H33FN4O/c1-19-17-29(15-12-27-19)18-21-4-2-20(3-5-21)16-25(31)30-13-10-24(11-14-30)28-23-8-6-22(26)7-9-23/h2-9,19,24,27-28H,10-18H2,1H3/t19-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in CHO cells assessed as increase in intracellular calcium by FLIPR assay


J Med Chem 52: 1180-9 (2009)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50254851
PNG
(3-Cyclohexyl-1-[4'-((3R,5S)-3,5-dimethyl-piperazin...)
Show SMILES COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3C[C@H](C)N[C@H](C)C3)cc2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C36H48N4O2/c1-27-23-39(24-28(2)37-27)25-30-16-18-31(19-17-30)35-15-8-7-11-32(35)26-40(36(41)38-33-12-5-4-6-13-33)21-20-29-10-9-14-34(22-29)42-3/h7-11,14-19,22,27-28,33,37H,4-6,12-13,20-21,23-26H2,1-3H3,(H,38,41)/t27-,28+
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n/an/an/an/a 10n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay


Bioorg Med Chem Lett 18: 6423-8 (2008)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50415669
PNG
(CHEMBL1078207)
Show SMILES O=S(=O)(Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H26N4O2S/c31-33(32,26-10-7-21(8-11-26)20-4-2-1-3-5-20)29-24-9-6-22-13-16-30(17-14-23(22)18-24)19-25-12-15-27-28-25/h1-12,15,18,29H,13-14,16-17,19H2,(H,27,28)
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n/an/an/an/a 10n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in CHO cells by FLIPR assay


Bioorg Med Chem Lett 19: 6452-8 (2009)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50412540
PNG
(CHEMBL465094)
Show SMILES C[C@H]1CN(Cc2ccc(cc2F)-c2cccnc2C(=O)N2CCC(CC2)Nc2cccc(F)c2)C[C@@H](C)N1
Show InChI InChI=1S/C30H35F2N5O/c1-20-17-36(18-21(2)34-20)19-23-9-8-22(15-28(23)32)27-7-4-12-33-29(27)30(38)37-13-10-25(11-14-37)35-26-6-3-5-24(31)16-26/h3-9,12,15-16,20-21,25,34-35H,10-11,13-14,17-19H2,1-2H3/t20-,21+
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n/an/an/an/a 10n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 18: 6429-36 (2008)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50311425
PNG
(7-((4'-fluorobiphenyl-4-ylsulfonyl)methyl)-2,3,4,5...)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)Cc1ccc2CCNCCc2c1
Show InChI InChI=1S/C23H22FNO2S/c24-22-7-3-18(4-8-22)19-5-9-23(10-6-19)28(26,27)16-17-1-2-20-11-13-25-14-12-21(20)15-17/h1-10,15,25H,11-14,16H2
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n/an/an/an/a 12.6n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in CHO cells by FLIPR assay


Bioorg Med Chem Lett 19: 6452-8 (2009)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50292978
PNG
(CHEMBL489095 | GSK-962040 | N-(3-Fluorophenyl)-1-[...)
Show SMILES C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc3cccc(F)c3)cc2)CCN1
Show InChI InChI=1S/C25H33FN4O/c1-19-17-29(14-11-27-19)18-21-7-5-20(6-8-21)15-25(31)30-12-9-23(10-13-30)28-24-4-2-3-22(26)16-24/h2-8,16,19,23,27-28H,9-15,17-18H2,1H3/t19-/m0/s1
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n/an/an/an/a 12.6n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in CHO cells assessed as increase in intracellular calcium by FLIPR assay


J Med Chem 52: 1180-9 (2009)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50255029
PNG
(CHEMBL480219 | {1-[4-((3R,5S)-3,5-Dimethyl-piperaz...)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)-n2ccnc2C(=O)N2CCC(CC2)Nc2cccc(F)c2)C[C@@H](C)N1
Show InChI InChI=1S/C28H35FN6O/c1-20-17-33(18-21(2)31-20)19-22-6-8-26(9-7-22)35-15-12-30-27(35)28(36)34-13-10-24(11-14-34)32-25-5-3-4-23(29)16-25/h3-9,12,15-16,20-21,24,31-32H,10-11,13-14,17-19H2,1-2H3/t20-,21+
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n/an/an/an/a 15.8n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 18: 6429-36 (2008)

More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50344950
PNG
(2-((2R,3S,4R,5R,6S,7R,9R,10R,11S,12S,13R)-2-ethyl-...)
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)C(C)C)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O
Show InChI InChI=1S/C42H78N2O13/c1-16-30-42(12,50)36(47)26(7)34(52-21-31(45)43-13)23(4)18-41(11,49)37(57-39-33(46)29(17-24(5)54-39)44(14)22(2)3)27(8)35(28(9)38(48)55-30)56-32-20-40(10,51-15)19-25(6)53-32/h22-30,32-37,39,46-47,49-50H,16-21H2,1-15H3,(H,43,45)/t23-,24-,25+,26+,27+,28-,29+,30-,32+,33-,34+,35+,36-,37-,39+,40+,41-,42-/m1/s1
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n/an/an/an/a 17n/an/an/an/a



Kosan Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at motilin receptor in rabbit smooth muscle assessed as maximal possible tissue contraction


Bioorg Med Chem Lett 21: 3712-4 (2011)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50412534
PNG
(CHEMBL469098)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2cccnc2C(=O)N2CCC(CC2)Nc2cccc(c2)C#N)C[C@@H](C)N1
Show InChI InChI=1S/C31H36N6O/c1-22-19-36(20-23(2)34-22)21-24-8-10-26(11-9-24)29-7-4-14-33-30(29)31(38)37-15-12-27(13-16-37)35-28-6-3-5-25(17-28)18-32/h3-11,14,17,22-23,27,34-35H,12-13,15-16,19-21H2,1-2H3/t22-,23+
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n/an/an/an/a 19.9n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 18: 6429-36 (2008)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50247157
PNG
((3-(4-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)...)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2cccnc2C(=O)N2CCC(CC2)Nc2ccc(F)cc2)C[C@@H](C)N1
Show InChI InChI=1S/C30H36FN5O/c1-21-18-35(19-22(2)33-21)20-23-5-7-24(8-6-23)28-4-3-15-32-29(28)30(37)36-16-13-27(14-17-36)34-26-11-9-25(31)10-12-26/h3-12,15,21-22,27,33-34H,13-14,16-20H2,1-2H3/t21-,22+
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n/an/an/an/a 19.9n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 18: 6429-36 (2008)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50412524
PNG
(CHEMBL464247)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2CN(C)C(=O)CNS(=O)(=O)c2ccc(C)cc2)C[C@@H](C)N1
Show InChI InChI=1S/C30H38N4O3S/c1-22-9-15-28(16-10-22)38(36,37)31-17-30(35)33(4)21-27-7-5-6-8-29(27)26-13-11-25(12-14-26)20-34-18-23(2)32-24(3)19-34/h5-16,23-24,31-32H,17-21H2,1-4H3/t23-,24+
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n/an/an/an/a 19.9n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 18: 6429-36 (2008)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50415664
PNG
(CHEMBL1078344)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)Cc1ccc2CCNCCc2c1
Show InChI InChI=1S/C23H22ClNO2S/c24-22-7-3-18(4-8-22)19-5-9-23(10-6-19)28(26,27)16-17-1-2-20-11-13-25-14-12-21(20)15-17/h1-10,15,25H,11-14,16H2
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n/an/an/an/a 19.9n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in CHO cells by FLIPR assay


Bioorg Med Chem Lett 19: 6452-8 (2009)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50311419
PNG
(CHEMBL1078464 | N-(4-fluorophenyl)-5-((2,3,4,5-tet...)
Show SMILES Fc1ccc(Nc2ccc(cn2)S(=O)(=O)Cc2ccc3CCNCCc3c2)cc1
Show InChI InChI=1S/C22H22FN3O2S/c23-19-3-5-20(6-4-19)26-22-8-7-21(14-25-22)29(27,28)15-16-1-2-17-9-11-24-12-10-18(17)13-16/h1-8,13-14,24H,9-12,15H2,(H,25,26)
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n/an/an/an/a 19.9n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in CHO cells by FLIPR assay


Bioorg Med Chem Lett 19: 6452-8 (2009)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50292982
PNG
(CHEMBL523933 | N-(3-Fluorophenyl)-1-[(4-([(3R)-3-m...)
Show SMILES C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc3cccc(F)c3)cc2)CCN1
Show InChI InChI=1S/C25H33FN4O/c1-19-17-29(14-11-27-19)18-21-7-5-20(6-8-21)15-25(31)30-12-9-23(10-13-30)28-24-4-2-3-22(26)16-24/h2-8,16,19,23,27-28H,9-15,17-18H2,1H3/t19-/m1/s1
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n/an/an/an/a 19.9n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in CHO cells assessed as increase in intracellular calcium by FLIPR assay


J Med Chem 52: 1180-9 (2009)

More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50344948
PNG
((3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ethyl-7...)
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)(C)O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
Show InChI InChI=1S/C40H75NO13/c1-15-28-40(12,48)33(44)24(5)30(42)21(2)17-39(11,47)34(54-36-31(43)27(16-22(3)51-36)41(13)20-37(8,9)46)25(6)32(26(7)35(45)52-28)53-29-19-38(10,49-14)18-23(4)50-29/h21-34,36,42-44,46-48H,15-20H2,1-14H3/t21-,22-,23+,24+,25+,26-,27+,28-,29+,30+,31-,32+,33-,34-,36+,38+,39-,40-/m1/s1
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n/an/an/an/a 24n/an/an/an/a



Kosan Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at motilin receptor in rabbit smooth muscle assessed as maximal possible tissue contraction


Bioorg Med Chem Lett 21: 3712-4 (2011)

More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50299521
PNG
(2-((2R,3S,4R,5R,6S,7R,9R,10R,11S,12S,13R)-2-ethyl-...)
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)C)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)Nc2ccncn2)[C@H](C)[C@@H](O)[C@]1(C)O
Show InChI InChI=1S/C45H78N4O14/c1-15-31-45(12,56)38(52)26(6)36(58-21-33(50)48-32-16-17-46-22-47-32)24(4)19-43(10,55)40(63-42-35(51)30(18-25(5)59-42)49(13)23(2)3)27(7)37(28(8)41(54)61-31)62-34-20-44(11,57-14)39(53)29(9)60-34/h16-17,22-31,34-40,42,51-53,55-56H,15,18-21H2,1-14H3,(H,46,47,48,50)/t24-,25-,26+,27+,28-,29+,30+,31-,34+,35-,36+,37+,38-,39+,40-,42+,43-,44-,45-/m1/s1
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n/an/an/an/a 25n/an/an/an/a



Kosan Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at motilin receptor in rabbit smooth muscle assessed as maximal possible tissue contraction


J Med Chem 52: 6851-9 (2009)

More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50292979
PNG
(CHEMBL474130 | N-(3-Fluorophenyl)-1-[3-(4-([(3S)-3...)
Show SMILES C[C@H]1CN(Cc2ccc(CCC(=O)N3CCC(CC3)Nc3cccc(F)c3)cc2)CCN1
Show InChI InChI=1S/C26H35FN4O/c1-20-18-30(16-13-28-20)19-22-7-5-21(6-8-22)9-10-26(32)31-14-11-24(12-15-31)29-25-4-2-3-23(27)17-25/h2-8,17,20,24,28-29H,9-16,18-19H2,1H3/t20-/m0/s1
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n/an/an/an/a 25.1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in CHO cells assessed as increase in intracellular calcium by FLIPR assay


J Med Chem 52: 1180-9 (2009)

More data for this
Ligand-Target Pair
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