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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50020466   
Target/Host
(Institution)
LigandTarget/Host
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 (Human))
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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214264
PNG
(1-{[(5R,8R,11S)-6,9,12-trioxo-8-(propan-2-yl)-5-{[...)
Show SMILES [#6]-[#6](-[#6])-[#6@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2cccc(c2)C(F)(F)F)-[#7]-[#6]-[#6]-[#8]-c2ccccc2-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214270
PNG
(1-{[(5R,8R,11S)-5-[(4-chlorophenyl)methyl]-6,9,12-...)
Show SMILES [#6]-[#6](-[#6])-[#6@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(Cl)cc2)-[#7]-[#6]-[#6]-[#8]-c2ccccc2-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214250
PNG
((5R,8R,11S)-5-[(4-chlorophenyl)methyl]-11-[(dimeth...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(Cl)cc2)NCCOc2ccccc2CCCNC(=O)[C@H](CN(C)C)NC1=O
Show InChI InChI=1S/C30H42ClN5O4/c1-20(2)27-30(39)34-25(19-36(3)4)28(37)33-15-7-9-22-8-5-6-10-26(22)40-17-16-32-24(29(38)35-27)18-21-11-13-23(31)14-12-21/h5-6,8,10-14,20,24-25,27,32H,7,9,15-19H2,1-4H3,(H,33,37)(H,34,39)(H,35,38)/t24-,25+,27-/m1/s1
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16n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214255
PNG
((5R,8R,11S)-11-[(5-methyl-1H-1,2,3-triazol-1-yl)me...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(c2)C(F)(F)F)NCCOc2ccccc2CCCNC(=O)[C@H](Cn2nncc2C)NC1=O
Show InChI InChI=1S/C32H40F3N7O4/c1-20(2)28-31(45)39-26(19-42-21(3)18-38-41-42)29(43)37-13-7-10-23-9-4-5-12-27(23)46-15-14-36-25(30(44)40-28)17-22-8-6-11-24(16-22)32(33,34)35/h4-6,8-9,11-12,16,18,20,25-26,28,36H,7,10,13-15,17,19H2,1-3H3,(H,37,43)(H,39,45)(H,40,44)/t25-,26+,28-/m1/s1
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17n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214260
PNG
((5R,8R,11S)-5-[(3-chlorophenyl)methyl]-8-(propan-2...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](Cn2cccn2)NC1=O
Show InChI InChI=1S/C31H39ClN6O4/c1-21(2)28-31(41)36-26(20-38-16-7-14-35-38)29(39)34-13-6-10-23-9-3-4-12-27(23)42-17-15-33-25(30(40)37-28)19-22-8-5-11-24(32)18-22/h3-5,7-9,11-12,14,16,18,21,25-26,28,33H,6,10,13,15,17,19-20H2,1-2H3,(H,34,39)(H,36,41)(H,37,40)/t25-,26+,28-/m1/s1
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18n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214253
PNG
((5R,8R,11S)-8-(propan-2-yl)-11-[(pyrimidin-2-ylami...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(c2)C(F)(F)F)NCCOc2ccccc2CCCNC(=O)[C@H](CNc2ncccn2)NC1=O
Show InChI InChI=1S/C33H40F3N7O4/c1-21(2)28-31(46)42-26(20-41-32-39-14-7-15-40-32)29(44)38-13-6-10-23-9-3-4-12-27(23)47-17-16-37-25(30(45)43-28)19-22-8-5-11-24(18-22)33(34,35)36/h3-5,7-9,11-12,14-15,18,21,25-26,28,37H,6,10,13,16-17,19-20H2,1-2H3,(H,38,44)(H,42,46)(H,43,45)(H,39,40,41)/t25-,26+,28-/m1/s1
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20n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214274
PNG
((5R,8R,11S)-11-[(5-methyl-1H-1,2,3,4-tetrazol-1-yl...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(c2)C(F)(F)F)NCCOc2ccccc2CCCNC(=O)[C@H](Cn2nnnc2C)NC1=O
Show InChI InChI=1S/C31H39F3N8O4/c1-19(2)27-30(45)37-25(18-42-20(3)39-40-41-42)28(43)36-13-7-10-22-9-4-5-12-26(22)46-15-14-35-24(29(44)38-27)17-21-8-6-11-23(16-21)31(32,33)34/h4-6,8-9,11-12,16,19,24-25,27,35H,7,10,13-15,17-18H2,1-3H3,(H,36,43)(H,37,45)(H,38,44)/t24-,25+,27-/m1/s1
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21n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214261
PNG
((5R,8R,11S)-11-[(4,5-dimethyl-1H-1,2,3-triazol-1-y...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(c2)C(F)(F)F)NCCOc2ccccc2CCCNC(=O)[C@H](Cn2nnc(C)c2C)NC1=O
Show InChI InChI=1S/C33H42F3N7O4/c1-20(2)29-32(46)39-27(19-43-22(4)21(3)41-42-43)30(44)38-14-8-11-24-10-5-6-13-28(24)47-16-15-37-26(31(45)40-29)18-23-9-7-12-25(17-23)33(34,35)36/h5-7,9-10,12-13,17,20,26-27,29,37H,8,11,14-16,18-19H2,1-4H3,(H,38,44)(H,39,46)(H,40,45)/t26-,27+,29-/m1/s1
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23n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214251
PNG
((5R,8R,11S)-5-[(3-chlorophenyl)methyl]-11-[(dimeth...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CN(C)C)NC1=O
Show InChI InChI=1S/C30H42ClN5O4/c1-20(2)27-30(39)34-25(19-36(3)4)28(37)33-14-8-11-22-10-5-6-13-26(22)40-16-15-32-24(29(38)35-27)18-21-9-7-12-23(31)17-21/h5-7,9-10,12-13,17,20,24-25,27,32H,8,11,14-16,18-19H2,1-4H3,(H,33,37)(H,34,39)(H,35,38)/t24-,25+,27-/m1/s1
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27n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214276
PNG
(3-[(5R,8R,11S)-5-[(3-chlorophenyl)methyl]-6,9,12-t...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CCC(N)=N)NC1=O
Show InChI InChI=1S/C30H41ClN6O4/c1-19(2)27-30(40)36-23(12-13-26(32)33)28(38)35-14-6-9-21-8-3-4-11-25(21)41-16-15-34-24(29(39)37-27)18-20-7-5-10-22(31)17-20/h3-5,7-8,10-11,17,19,23-24,27,34H,6,9,12-16,18H2,1-2H3,(H3,32,33)(H,35,38)(H,36,40)(H,37,39)/t23-,24+,27+/m0/s1
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27n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214262
PNG
((5R,8R,11S)-5-[(4-chlorophenyl)methyl]-11-[(methyl...)
Show SMILES CNC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NCCOc2ccccc2CCCNC1=O)C(C)C
Show InChI InChI=1S/C29H40ClN5O4/c1-19(2)26-29(38)34-24(18-31-3)27(36)33-14-6-8-21-7-4-5-9-25(21)39-16-15-32-23(28(37)35-26)17-20-10-12-22(30)13-11-20/h4-5,7,9-13,19,23-24,26,31-32H,6,8,14-18H2,1-3H3,(H,33,36)(H,34,38)(H,35,37)/t23-,24+,26-/m1/s1
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31n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214267
PNG
(1-{2-[(5R,8R,11S)-5-[(3-chlorophenyl)methyl]-6,9,1...)
Show SMILES [#6]-[#6](-[#6])-[#6@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2cccc(Cl)c2)-[#7]-[#6]-[#6]-[#8]-c2ccccc2-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O
Show InChI InChI=1S/C30H42ClN7O4/c1-19(2)26-29(41)37-23(12-14-36-30(32)33)27(39)35-13-6-9-21-8-3-4-11-25(21)42-16-15-34-24(28(40)38-26)18-20-7-5-10-22(31)17-20/h3-5,7-8,10-11,17,19,23-24,26,34H,6,9,12-16,18H2,1-2H3,(H,35,39)(H,37,41)(H,38,40)(H4,32,33,36)/t23-,24+,26+/m0/s1
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33n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214273
PNG
((5R,8R,11S)-5-[(3-chlorophenyl)methyl]-8-(propan-2...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CNc2nccs2)NC1=O
Show InChI InChI=1S/C31H39ClN6O4S/c1-20(2)27-30(41)37-25(19-36-31-35-14-16-43-31)28(39)34-12-6-9-22-8-3-4-11-26(22)42-15-13-33-24(29(40)38-27)18-21-7-5-10-23(32)17-21/h3-5,7-8,10-11,14,16-17,20,24-25,27,33H,6,9,12-13,15,18-19H2,1-2H3,(H,34,39)(H,35,36)(H,37,41)(H,38,40)/t24-,25+,27-/m1/s1
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41n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214257
PNG
((5R,8R,11S)-5-[(3-chlorophenyl)methyl]-11-[(4,5-di...)
Show SMILES [#6]-[#6](-[#6])-[#6@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2cccc(Cl)c2)-[#7]-[#6]-[#6]-[#8]-c2ccccc2-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#7]-2)-[#7]-[#6]-1=O
Show InChI InChI=1S/C31H42ClN7O4/c1-20(2)27-30(42)38-25(19-37-31-35-13-14-36-31)28(40)34-12-6-9-22-8-3-4-11-26(22)43-16-15-33-24(29(41)39-27)18-21-7-5-10-23(32)17-21/h3-5,7-8,10-11,17,20,24-25,27,33H,6,9,12-16,18-19H2,1-2H3,(H,34,40)(H,38,42)(H,39,41)(H2,35,36,37)/t24-,25+,27-/m1/s1
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51n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214269
PNG
(1-{[(5R,8R,11S)-5-[(3-chlorophenyl)methyl]-6,9,12-...)
Show SMILES [#6]-[#6](-[#6])-[#6@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2cccc(Cl)c2)-[#7]-[#6]-[#6]-[#8]-c2ccccc2-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O
Show InChI InChI=1S/C29H40ClN7O4/c1-18(2)25-28(40)36-23(17-35-29(31)32)26(38)34-12-6-9-20-8-3-4-11-24(20)41-14-13-33-22(27(39)37-25)16-19-7-5-10-21(30)15-19/h3-5,7-8,10-11,15,18,22-23,25,33H,6,9,12-14,16-17H2,1-2H3,(H,34,38)(H,36,40)(H,37,39)(H4,31,32,35)/t22-,23+,25-/m1/s1
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57n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214275
PNG
((5R,8R,11S)-11-(aminomethyl)-5-[(4-chlorophenyl)me...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(Cl)cc2)NCCOc2ccccc2CCCNC(=O)[C@H](CN)NC1=O
Show InChI InChI=1S/C28H38ClN5O4/c1-18(2)25-28(37)33-23(17-30)26(35)32-13-5-7-20-6-3-4-8-24(20)38-15-14-31-22(27(36)34-25)16-19-9-11-21(29)12-10-19/h3-4,6,8-12,18,22-23,25,31H,5,7,13-17,30H2,1-2H3,(H,32,35)(H,33,37)(H,34,36)/t22-,23+,25-/m1/s1
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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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214254
PNG
((5R,8R,11S)-5-[(3-chlorophenyl)methyl]-11-(1H-imid...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](Cn2ccnc2)NC1=O
Show InChI InChI=1S/C31H39ClN6O4/c1-21(2)28-31(41)36-26(19-38-15-13-33-20-38)29(39)35-12-6-9-23-8-3-4-11-27(23)42-16-14-34-25(30(40)37-28)18-22-7-5-10-24(32)17-22/h3-5,7-8,10-11,13,15,17,20-21,25-26,28,34H,6,9,12,14,16,18-19H2,1-2H3,(H,35,39)(H,36,41)(H,37,40)/t25-,26+,28-/m1/s1
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62n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214278
PNG
((5R,8R,11S)-11-(aminomethyl)-5-[(3-chlorophenyl)me...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CN)NC1=O
Show InChI InChI=1S/C28H38ClN5O4/c1-18(2)25-28(37)33-23(17-30)26(35)32-12-6-9-20-8-3-4-11-24(20)38-14-13-31-22(27(36)34-25)16-19-7-5-10-21(29)15-19/h3-5,7-8,10-11,15,18,22-23,25,31H,6,9,12-14,16-17,30H2,1-2H3,(H,32,35)(H,33,37)(H,34,36)/t22-,23+,25-/m1/s1
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64n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214279
PNG
((5R,8R,11S)-5-[(3-chlorophenyl)methyl]-8-(propan-2...)
Show SMILES [#6]-[#6](-[#6])-[#6@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2cccc(Cl)c2)-[#7]-[#6]-[#6]-[#8]-c2ccccc2-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#6]-[#7]-2)-[#7]-[#6]-1=O
Show InChI InChI=1S/C32H44ClN7O4/c1-21(2)28-31(43)39-26(20-38-32-36-14-7-15-37-32)29(41)35-13-6-10-23-9-3-4-12-27(23)44-17-16-34-25(30(42)40-28)19-22-8-5-11-24(33)18-22/h3-5,8-9,11-12,18,21,25-26,28,34H,6-7,10,13-17,19-20H2,1-2H3,(H,35,41)(H,39,43)(H,40,42)(H2,36,37,38)/t25-,26+,28-/m1/s1
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87n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214263
PNG
(1-{[(5R,8R,11S)-5-[(3-chlorophenyl)methyl]-6,9,12-...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CN=C(N)NC#N)NC1=O |w:34.35|
Show InChI InChI=1S/C30H39ClN8O4/c1-19(2)26-29(42)38-24(17-36-30(33)37-18-32)27(40)35-12-6-9-21-8-3-4-11-25(21)43-14-13-34-23(28(41)39-26)16-20-7-5-10-22(31)15-20/h3-5,7-8,10-11,15,19,23-24,26,34H,6,9,12-14,16-17H2,1-2H3,(H,35,40)(H,38,42)(H,39,41)(H3,33,36,37)/t23-,24+,26-/m1/s1
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100n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214256
PNG
((5R,8R,11S)-5-[(3-fluorophenyl)methyl]-8-(propan-2...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(F)c2)NCCOc2ccccc2CCCNC(=O)[C@H](Cc2cscn2)NC1=O
Show InChI InChI=1S/C31H38FN5O4S/c1-20(2)28-31(40)36-26(17-24-18-42-19-35-24)29(38)34-12-6-9-22-8-3-4-11-27(22)41-14-13-33-25(30(39)37-28)16-21-7-5-10-23(32)15-21/h3-5,7-8,10-11,15,18-20,25-26,28,33H,6,9,12-14,16-17H2,1-2H3,(H,34,38)(H,36,40)(H,37,39)/t25-,26+,28-/m1/s1
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116n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50199365
PNG
((E)-(9R,12R,15S)-9-(4-hydroxy-benzyl)-12-isopropyl...)
Show SMILES CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2\C=C\CNC1=O)C(C)C |t:32|
Show InChI InChI=1S/C30H40N4O5/c1-4-8-24-28(36)32-16-7-10-22-9-5-6-11-26(22)39-18-17-31-25(19-21-12-14-23(35)15-13-21)29(37)34-27(20(2)3)30(38)33-24/h5-7,9-15,20,24-25,27,31,35H,4,8,16-19H2,1-3H3,(H,32,36)(H,33,38)(H,34,37)/b10-7+/t24-,25+,27+/m0/s1
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137n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214258
PNG
((5R,8R,11S)-11-(aminomethyl)-5-[(4-hydroxyphenyl)m...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC(=O)[C@H](CN)NC1=O
Show InChI InChI=1S/C28H39N5O5/c1-18(2)25-28(37)32-23(17-29)26(35)31-13-5-7-20-6-3-4-8-24(20)38-15-14-30-22(27(36)33-25)16-19-9-11-21(34)12-10-19/h3-4,6,8-12,18,22-23,25,30,34H,5,7,13-17,29H2,1-2H3,(H,31,35)(H,32,37)(H,33,36)/t22-,23+,25-/m1/s1
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171n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214265
PNG
((5R,8R,11S)-11-(2-aminoethyl)-5-[(4-hydroxyphenyl)...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC(=O)[C@H](CCN)NC1=O
Show InChI InChI=1S/C29H41N5O5/c1-19(2)26-29(38)33-23(13-14-30)27(36)32-15-5-7-21-6-3-4-8-25(21)39-17-16-31-24(28(37)34-26)18-20-9-11-22(35)12-10-20/h3-4,6,8-12,19,23-24,26,31,35H,5,7,13-18,30H2,1-2H3,(H,32,36)(H,33,38)(H,34,37)/t23-,24+,26+/m0/s1
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342n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214259
PNG
((5R,8R,11S)-5-[(4-hydroxyphenyl)methyl]-8-(propan-...)
Show SMILES CC(C)NC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O)C(C)C
Show InChI InChI=1S/C31H45N5O5/c1-20(2)28-31(40)35-26(19-34-21(3)4)29(38)33-15-7-9-23-8-5-6-10-27(23)41-17-16-32-25(30(39)36-28)18-22-11-13-24(37)14-12-22/h5-6,8,10-14,20-21,25-26,28,32,34,37H,7,9,15-19H2,1-4H3,(H,33,38)(H,35,40)(H,36,39)/t25-,26+,28-/m1/s1
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376n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214271
PNG
(CHEMBL232359 | {[(5R,8R,11S)-5-[(4-chlorophenyl)me...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(Cl)cc2)NCCOc2ccccc2CCCNC(=O)[C@H](CNC(N)=O)NC1=O
Show InChI InChI=1S/C29H39ClN6O5/c1-18(2)25-28(39)35-23(17-34-29(31)40)26(37)33-13-5-7-20-6-3-4-8-24(20)41-15-14-32-22(27(38)36-25)16-19-9-11-21(30)12-10-19/h3-4,6,8-12,18,22-23,25,32H,5,7,13-17H2,1-2H3,(H,33,37)(H,35,39)(H,36,38)(H3,31,34,40)/t22-,23+,25-/m1/s1
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543n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50199378
PNG
((9R,12R,15S)-15-(4-amino-butyl)-9-(4-hydroxy-benzy...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2\C=C\CNC(=O)[C@H](CCCCN)NC1=O |t:28|
Show InChI InChI=1S/C31H43N5O5/c1-21(2)28-31(40)35-25(10-5-6-16-32)29(38)34-17-7-9-23-8-3-4-11-27(23)41-19-18-33-26(30(39)36-28)20-22-12-14-24(37)15-13-22/h3-4,7-9,11-15,21,25-26,28,33,37H,5-6,10,16-20,32H2,1-2H3,(H,34,38)(H,35,40)(H,36,39)/b9-7+/t25-,26+,28+/m0/s1
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664n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214252
PNG
((5R,8R,11S)-11-(3-aminopropyl)-5-[(4-hydroxyphenyl...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2\C=C\CNC(=O)[C@H](CCCN)NC1=O |t:28|
Show InChI InChI=1S/C30H41N5O5/c1-20(2)27-30(39)34-24(9-5-15-31)28(37)33-16-6-8-22-7-3-4-10-26(22)40-18-17-32-25(29(38)35-27)19-21-11-13-23(36)14-12-21/h3-4,6-8,10-14,20,24-25,27,32,36H,5,9,15-19,31H2,1-2H3,(H,33,37)(H,34,39)(H,35,38)/b8-6+/t24-,25+,27+/m0/s1
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889n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214277
PNG
(CHEMBL232551 | N-{[(5R,8R,11S)-5-[(4-hydroxyphenyl...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC(=O)[C@H](CNC(C)=O)NC1=O
Show InChI InChI=1S/C30H41N5O6/c1-19(2)27-30(40)34-25(18-33-20(3)36)28(38)32-14-6-8-22-7-4-5-9-26(22)41-16-15-31-24(29(39)35-27)17-21-10-12-23(37)13-11-21/h4-5,7,9-13,19,24-25,27,31,37H,6,8,14-18H2,1-3H3,(H,32,38)(H,33,36)(H,34,40)(H,35,39)/t24-,25+,27-/m1/s1
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1.95E+3n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50199382
PNG
((9R,12R,15S)-9-(4-hydroxy-benzyl)-12-isopropyl-10,...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2\C=C\CNC(=O)[C@H](CC(O)=O)NC1=O |t:28|
Show InChI InChI=1S/C29H36N4O7/c1-18(2)26-29(39)32-23(17-25(35)36)27(37)31-13-5-7-20-6-3-4-8-24(20)40-15-14-30-22(28(38)33-26)16-19-9-11-21(34)12-10-19/h3-12,18,22-23,26,30,34H,13-17H2,1-2H3,(H,31,37)(H,32,39)(H,33,38)(H,35,36)/b7-5+/t22-,23+,26-/m1/s1
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2.55E+3n/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


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
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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n/an/a 2n/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human motilin receptor in aequoscreen cells assessed as inhibition of motilin induced calcium release by aequorin assay


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
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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n/an/a 3n/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human motilin receptor in aequoscreen cells assessed as inhibition of motilin induced calcium release by aequorin assay


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
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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n/an/a 8n/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human motilin receptor in aequoscreen cells assessed as inhibition of motilin induced calcium release by aequorin assay


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214264
PNG
(1-{[(5R,8R,11S)-6,9,12-trioxo-8-(propan-2-yl)-5-{[...)
Show SMILES [#6]-[#6](-[#6])-[#6@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2cccc(c2)C(F)(F)F)-[#7]-[#6]-[#6]-[#8]-c2ccccc2-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=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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n/an/a 28n/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human motilin receptor in aequoscreen cells assessed as inhibition of motilin induced calcium release by aequorin assay


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214262
PNG
((5R,8R,11S)-5-[(4-chlorophenyl)methyl]-11-[(methyl...)
Show SMILES CNC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NCCOc2ccccc2CCCNC1=O)C(C)C
Show InChI InChI=1S/C29H40ClN5O4/c1-19(2)26-29(38)34-24(18-31-3)27(36)33-14-6-8-21-7-4-5-9-25(21)39-16-15-32-23(28(37)35-26)17-20-10-12-22(30)13-11-20/h4-5,7,9-13,19,23-24,26,31-32H,6,8,14-18H2,1-3H3,(H,33,36)(H,34,38)(H,35,37)/t23-,24+,26-/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human motilin receptor in aequoscreen cells assessed as inhibition of motilin induced calcium release by aequorin assay


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214260
PNG
((5R,8R,11S)-5-[(3-chlorophenyl)methyl]-8-(propan-2...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](Cn2cccn2)NC1=O
Show InChI InChI=1S/C31H39ClN6O4/c1-21(2)28-31(41)36-26(20-38-16-7-14-35-38)29(39)34-13-6-10-23-9-3-4-12-27(23)42-17-15-33-25(30(40)37-28)19-22-8-5-11-24(32)18-22/h3-5,7-9,11-12,14,16,18,21,25-26,28,33H,6,10,13,15,17,19-20H2,1-2H3,(H,34,39)(H,36,41)(H,37,40)/t25-,26+,28-/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human motilin receptor in aequoscreen cells assessed as inhibition of motilin induced calcium release by aequorin assay


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50199365
PNG
((E)-(9R,12R,15S)-9-(4-hydroxy-benzyl)-12-isopropyl...)
Show SMILES CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2\C=C\CNC1=O)C(C)C |t:32|
Show InChI InChI=1S/C30H40N4O5/c1-4-8-24-28(36)32-16-7-10-22-9-5-6-11-26(22)39-18-17-31-25(19-21-12-14-23(35)15-13-21)29(37)34-27(20(2)3)30(38)33-24/h5-7,9-15,20,24-25,27,31,35H,4,8,16-19H2,1-3H3,(H,32,36)(H,33,38)(H,34,37)/b10-7+/t24-,25+,27+/m0/s1
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n/an/a 74n/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human motilin receptor in aequoscreen cells assessed as inhibition of motilin induced calcium release by aequorin assay


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50214251
PNG
((5R,8R,11S)-5-[(3-chlorophenyl)methyl]-11-[(dimeth...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CN(C)C)NC1=O
Show InChI InChI=1S/C30H42ClN5O4/c1-20(2)27-30(39)34-25(19-36(3)4)28(37)33-14-8-11-22-10-5-6-13-26(22)40-16-15-32-24(29(38)35-27)18-21-9-7-12-23(31)17-21/h5-7,9-10,12-13,17,20,24-25,27,32H,8,11,14-16,18-19H2,1-4H3,(H,33,37)(H,34,39)(H,35,38)/t24-,25+,27-/m1/s1
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n/an/a 95n/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human motilin receptor in aequoscreen cells assessed as inhibition of motilin induced calcium release by aequorin assay


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair