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Compile Data Set for Download or QSAR

Found 428 hits Enz. Inhib. hit(s) with Target = 'Motilin receptor'   
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


(Oryctolagus cuniculus)
BDBM50421353
PNG
(CHEMBL406517)
Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)C)[C@@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
Show InChI InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19?,20+,21?,22?,23?,24?,25?,26+,28-,29?,30-,31+,32-,34?,35+,36-,37-/m1/s1
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Article
n/an/a 71n/an/an/an/a2.525



TBA

Curated by ChEMBL


Assay Description
Concentration required for in vitro acid stability with hydrochloric acid solution (pH 2.5 ) at room temperature for 2 hr by assaying the solution fo...


Bioorg Med Chem Lett 4: 1347-1352 (1994)


Article DOI: 10.1016/S0960-894X(01)80359-0
BindingDB Entry DOI: 10.7270/Q2PR7X8T
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50421367
PNG
(CHEMBL351216)
Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)C(C)C)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)OC
Show InChI InChI=1S/C40H71NO12/c1-16-28-40(12,47-15)33(43)23(6)31-21(4)18-39(11,53-31)35(52-37-30(42)27(17-22(5)48-37)41(13)20(2)3)24(7)32(25(8)36(45)50-28)51-29-19-38(10,46-14)34(44)26(9)49-29/h20,22-30,32-35,37,42-44H,16-19H2,1-15H3/t22?,23-,24?,25?,26?,27?,28?,29-,30+,32?,33+,34-,35+,37?,38+,39-,40+/m0/s1
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n/an/a 15n/an/an/an/a2.5n/a


TBA

Assay Description
Compound was tested for in vitro motilin receptor binding affinity after treatment with hydrochloric acid solution (pH 2.5)


Citation and Details

Article DOI: 10.1016/0960-894X(95)00122-A
BindingDB Entry DOI: 10.7270/Q2222W2B
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50421354
PNG
(CHEMBL26966)
Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC([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+/m0/s1
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n/an/a 302n/an/an/an/a2.525



TBA

Curated by ChEMBL


Assay Description
Concentration required for in vitro acid stability with hydrochloric acid solution (pH 2.5 ) at room temperature for 2 hr by assaying the solution fo...


Bioorg Med Chem Lett 4: 1347-1352 (1994)


Article DOI: 10.1016/S0960-894X(01)80359-0
BindingDB Entry DOI: 10.7270/Q2PR7X8T
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
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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n/an/a 224n/an/an/an/a2.525



TBA

Curated by ChEMBL


Assay Description
Concentration required for in vitro acid stability with hydrochloric acid solution (pH 2.5 ) at room temperature for 2 hr by assaying the solution fo...


Bioorg Med Chem Lett 4: 1347-1352 (1994)


Article DOI: 10.1016/S0960-894X(01)80359-0
BindingDB Entry DOI: 10.7270/Q2PR7X8T
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50421349
PNG
(CHEMBL265495)
Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)CC)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC
Show InChI InChI=1S/C39H67NO12/c1-15-27-39(11,46-14)32(42)22(5)30-20(3)18-38(10,52-30)34(51-36-29(41)26(40(12)16-2)17-21(4)47-36)23(6)31(24(7)35(44)49-27)50-28-19-37(9,45-13)33(43)25(8)48-28/h21-29,31,33-34,36,41,43H,15-19H2,1-14H3/t21?,22-,23?,24?,25?,26?,27?,28-,29+,31?,33-,34+,36?,37+,38-,39+/m0/s1
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n/an/a 6.5n/an/an/an/a2.525



TBA

Curated by ChEMBL


Assay Description
Concentration required for in vitro acid stability with hydrochloric acid solution (pH 2.5 ) at room temperature for 2 hr by assaying the solution fo...


Bioorg Med Chem Lett 4: 1347-1352 (1994)


Article DOI: 10.1016/S0960-894X(01)80359-0
BindingDB Entry DOI: 10.7270/Q2PR7X8T
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50421369
PNG
(CHEMBL262052)
Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)CC)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)OC
Show InChI InChI=1S/C39H69NO12/c1-15-27-39(11,46-14)32(42)22(5)30-20(3)18-38(10,52-30)34(51-36-29(41)26(40(12)16-2)17-21(4)47-36)23(6)31(24(7)35(44)49-27)50-28-19-37(9,45-13)33(43)25(8)48-28/h21-29,31-34,36,41-43H,15-19H2,1-14H3/t21?,22-,23?,24?,25?,26?,27?,28-,29+,31?,32+,33-,34+,36?,37+,38-,39+/m0/s1
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n/an/a 8.30n/an/an/an/a2.5n/a


TBA

Assay Description
Compound was tested for in vitro motilin receptor binding affinity after treatment with hydrochloric acid solution (pH 2.5)


Citation and Details

Article DOI: 10.1016/0960-894X(95)00122-A
BindingDB Entry DOI: 10.7270/Q2222W2B
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50421350
PNG
(CHEMBL27419)
Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)C)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC
Show InChI InChI=1S/C38H65NO12/c1-15-26-38(10,45-14)31(41)21(4)29-19(2)17-37(9,51-29)33(50-35-28(40)25(39(11)12)16-20(3)46-35)22(5)30(23(6)34(43)48-26)49-27-18-36(8,44-13)32(42)24(7)47-27/h20-28,30,32-33,35,40,42H,15-18H2,1-14H3/t20?,21-,22?,23?,24?,25?,26?,27-,28+,30?,32-,33+,35?,36+,37-,38+/m0/s1
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n/an/a 8.90n/an/an/an/a2.525



TBA

Curated by ChEMBL


Assay Description
Concentration required for in vitro acid stability with hydrochloric acid solution (pH 2.5 ) at room temperature for 2 hr by assaying the solution fo...


Bioorg Med Chem Lett 4: 1347-1352 (1994)


Article DOI: 10.1016/S0960-894X(01)80359-0
BindingDB Entry DOI: 10.7270/Q2PR7X8T
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50421353
PNG
(CHEMBL406517)
Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)C)[C@@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
Show InChI InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19?,20+,21?,22?,23?,24?,25?,26+,28-,29?,30-,31+,32-,34?,35+,36-,37-/m1/s1
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n/an/a 71n/an/an/an/a2.525



TBA

Curated by ChEMBL


Assay Description
Concentration required for in vitro acid stability with hydrochloric acid solution (pH 2.5 ) at room temperature for 2 hr by assaying the solution fo...


Bioorg Med Chem Lett 4: 1347-1352 (1994)


Article DOI: 10.1016/S0960-894X(01)80359-0
BindingDB Entry DOI: 10.7270/Q2PR7X8T
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
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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n/an/a 224n/an/an/an/a2.525



TBA

Curated by ChEMBL


Assay Description
Concentration required for in vitro acid stability with hydrochloric acid solution (pH 2.5 ) at room temperature for 2 hr by assaying the solution fo...


Bioorg Med Chem Lett 4: 1347-1352 (1994)


Article DOI: 10.1016/S0960-894X(01)80359-0
BindingDB Entry DOI: 10.7270/Q2PR7X8T
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50421351
PNG
(CHEMBL27424)
Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)C(C)C)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC
Show InChI InChI=1S/C40H69NO12/c1-16-28-40(12,47-15)33(43)23(6)31-21(4)18-39(11,53-31)35(52-37-30(42)27(17-22(5)48-37)41(13)20(2)3)24(7)32(25(8)36(45)50-28)51-29-19-38(10,46-14)34(44)26(9)49-29/h20,22-30,32,34-35,37,42,44H,16-19H2,1-15H3/t22?,23-,24?,25?,26?,27?,28?,29-,30+,32?,34-,35+,37?,38+,39-,40+/m0/s1
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n/an/a 7.90n/an/an/an/a2.525



TBA

Curated by ChEMBL


Assay Description
Concentration required for in vitro acid stability with hydrochloric acid solution (pH 2.5 ) at room temperature for 2 hr by assaying the solution fo...


Bioorg Med Chem Lett 4: 1347-1352 (1994)


Article DOI: 10.1016/S0960-894X(01)80359-0
BindingDB Entry DOI: 10.7270/Q2PR7X8T
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
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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n/an/a 224n/an/an/an/a2.5n/a


TBA

Assay Description
Compound was tested for in vitro motilin receptor binding affinity after treatment with hydrochloric acid solution (pH 2.5)


Citation and Details

Article DOI: 10.1016/0960-894X(95)00122-A
BindingDB Entry DOI: 10.7270/Q2222W2B
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50421352
PNG
(CHEMBL281952)
Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)C)[C@]2(C)CC(C)C3(O2)O[C@]1(C)[C@H](O)[C@H]3C
Show InChI InChI=1S/C37H65NO12/c1-14-25-36(10)29(40)22(6)37(50-36)18(2)16-35(9,49-37)31(48-33-27(39)24(38(11)12)15-19(3)44-33)20(4)28(21(5)32(42)46-25)47-26-17-34(8,43-13)30(41)23(7)45-26/h18-31,33,39-41H,14-17H2,1-13H3/t18?,19?,20?,21?,22-,23?,24?,25?,26+,27-,28?,29-,30+,31-,33?,34-,35+,36+,37?/m1/s1
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n/an/a 170n/an/an/an/a2.5n/a


TBA

Assay Description
Compound was tested for in vitro motilin receptor binding affinity after treatment with hydrochloric acid solution (pH 2.5)


Citation and Details

Article DOI: 10.1016/0960-894X(95)00122-A
BindingDB Entry DOI: 10.7270/Q2222W2B
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50344942
PNG
(CHEMBL532 | E-MYCIN E | ERYTHROMYCIN | ERYTHROMYCI...)
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)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
Show InChI InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
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n/an/a 71n/an/an/an/a2.5n/a


TBA

Assay Description
Compound was tested for in vitro motilin receptor binding affinity after treatment with hydrochloric acid solution (pH 2.5)


Citation and Details

Article DOI: 10.1016/0960-894X(95)00122-A
BindingDB Entry DOI: 10.7270/Q2222W2B
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50421366
PNG
(CHEMBL353526)
Show SMILES CCC1OC(=O)C(C)C(C[C@@H](OC2OC(C)CC([C@H]2O)N(C)CC)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O)OC1C[C@@](C)(OC)[C@@H](O)C(C)O1
Show InChI InChI=1S/C37H65NO12/c1-13-26-37(10,43)31(40)22(6)30-19(3)17-35(8,50-30)27(49-34-29(39)24(38(11)14-2)15-20(4)45-34)16-25(21(5)33(42)48-26)47-28-18-36(9,44-12)32(41)23(7)46-28/h20-29,31-32,34,39-41,43H,13-18H2,1-12H3/t20?,21?,22-,23?,24?,25?,26?,27+,28?,29+,31+,32-,34?,35-,36+,37+/m0/s1
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n/an/a 302n/an/an/an/a2.5n/a


TBA

Assay Description
Compound was tested for in vitro motilin receptor binding affinity


Citation and Details

Article DOI: 10.1016/0960-894X(95)00122-A
BindingDB Entry DOI: 10.7270/Q2222W2B
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50421368
PNG
(CHEMBL166642)
Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)C)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)OC
Show InChI InChI=1S/C38H67NO12/c1-15-26-38(10,45-14)31(41)21(4)29-19(2)17-37(9,51-29)33(50-35-28(40)25(39(11)12)16-20(3)46-35)22(5)30(23(6)34(43)48-26)49-27-18-36(8,44-13)32(42)24(7)47-27/h20-28,30-33,35,40-42H,15-18H2,1-14H3/t20?,21-,22?,23?,24?,25?,26?,27-,28+,30?,31+,32-,33+,35?,36+,37-,38+/m0/s1
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n/an/a 40n/an/an/an/a2.5n/a


TBA

Assay Description
Compound was tested for in vitro motilin receptor binding affinity after treatment with hydrochloric acid solution (pH 2.5)


Citation and Details

Article DOI: 10.1016/0960-894X(95)00122-A
BindingDB Entry DOI: 10.7270/Q2222W2B
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50421350
PNG
(CHEMBL27419)
Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)C)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC
Show InChI InChI=1S/C38H65NO12/c1-15-26-38(10,45-14)31(41)21(4)29-19(2)17-37(9,51-29)33(50-35-28(40)25(39(11)12)16-20(3)46-35)22(5)30(23(6)34(43)48-26)49-27-18-36(8,44-13)32(42)24(7)47-27/h20-28,30,32-33,35,40,42H,15-18H2,1-14H3/t20?,21-,22?,23?,24?,25?,26?,27-,28+,30?,32-,33+,35?,36+,37-,38+/m0/s1
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n/an/a 8.90n/an/an/an/a2.525



TBA

Curated by ChEMBL


Assay Description
Concentration required for in vitro acid stability with hydrochloric acid solution (pH 2.5 ) at room temperature for 2 hr by assaying the solution fo...


Bioorg Med Chem Lett 4: 1347-1352 (1994)


Article DOI: 10.1016/S0960-894X(01)80359-0
BindingDB Entry DOI: 10.7270/Q2PR7X8T
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


J Med Chem 49: 7190-7 (2006)


Article DOI: 10.1021/jm0606600
BindingDB Entry DOI: 10.7270/Q2251JZH
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


J Med Chem 47: 1704-8 (2004)


Article DOI: 10.1021/jm0304865
BindingDB Entry DOI: 10.7270/Q2571CRC
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


J Med Chem 47: 1704-8 (2004)


Article DOI: 10.1021/jm0304865
BindingDB Entry DOI: 10.7270/Q2571CRC
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


J Med Chem 47: 1704-8 (2004)


Article DOI: 10.1021/jm0304865
BindingDB Entry DOI: 10.7270/Q2571CRC
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


J Med Chem 47: 1704-8 (2004)


Article DOI: 10.1021/jm0304865
BindingDB Entry DOI: 10.7270/Q2571CRC
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


J Med Chem 47: 1704-8 (2004)


Article DOI: 10.1021/jm0304865
BindingDB Entry DOI: 10.7270/Q2571CRC
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


J Med Chem 47: 1704-8 (2004)


Article DOI: 10.1021/jm0304865
BindingDB Entry DOI: 10.7270/Q2571CRC
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


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)
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


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)
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


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)
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)
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


J Med Chem 49: 7190-7 (2006)


Article DOI: 10.1021/jm0606600
BindingDB Entry DOI: 10.7270/Q2251JZH
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


J Med Chem 49: 7190-7 (2006)


Article DOI: 10.1021/jm0606600
BindingDB Entry DOI: 10.7270/Q2251JZH
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


J Med Chem 49: 7190-7 (2006)


Article DOI: 10.1021/jm0606600
BindingDB Entry DOI: 10.7270/Q2251JZH
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


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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
BDBM50214267
PNG
(1-{2-[(5R,8R,11S)-5-[(3-chlorophenyl)methyl]-6,9,1...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CCN=C(N)N)NC1=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)
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)
BDBM50214257
PNG
((5R,8R,11S)-5-[(3-chlorophenyl)methyl]-11-[(4,5-di...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CN=C2NCCN2)NC1=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)
BDBM50199397
PNG
((9R,12R,15S)-9-(4-hydroxy-benzyl)-12-isopropyl-15-...)
Show SMILES CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O)C(C)C
Show InChI InChI=1S/C30H42N4O5/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/h5-6,9,11-15,20,24-25,27,31,35H,4,7-8,10,16-19H2,1-3H3,(H,32,36)(H,33,38)(H,34,37)/t24-,25+,27+/m0/s1
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55n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


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


J Med Chem 49: 7190-7 (2006)


Article DOI: 10.1021/jm0606600
BindingDB Entry DOI: 10.7270/Q2251JZH
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
BDBM50214269
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)N)NC1=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)
BDBM50199347
PNG
((9R,12R,15S)-9-benzyl-12-isopropyl-15-propyl-6,7,8...)
Show SMILES CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NCCOc2ccccc2CCCNC1=O)C(C)C
Show InChI InChI=1S/C30H42N4O4/c1-4-11-24-28(35)32-17-10-15-23-14-8-9-16-26(23)38-19-18-31-25(20-22-12-6-5-7-13-22)29(36)34-27(21(2)3)30(37)33-24/h5-9,12-14,16,21,24-25,27,31H,4,10-11,15,17-20H2,1-3H3,(H,32,35)(H,33,37)(H,34,36)/t24-,25+,27+/m0/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 MOTR


J Med Chem 49: 7190-7 (2006)


Article DOI: 10.1021/jm0606600
BindingDB Entry DOI: 10.7270/Q2251JZH
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
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)
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)
BDBM50199353
PNG
((9R,12R,15S)-9-(4-hydroxy-benzyl)-15-isobutyl-12-i...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2\C=C\CNC1=O)C(C)C
Show InChI InChI=1S/C31H42N4O5/c1-20(2)18-26-29(37)33-15-7-9-23-8-5-6-10-27(23)40-17-16-32-25(19-22-11-13-24(36)14-12-22)30(38)35-28(21(3)4)31(39)34-26/h5-14,20-21,25-26,28,32,36H,15-19H2,1-4H3,(H,33,37)(H,34,39)(H,35,38)/b9-7+/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 MOTR


J Med Chem 49: 7190-7 (2006)


Article DOI: 10.1021/jm0606600
BindingDB Entry DOI: 10.7270/Q2251JZH
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens)
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
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