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PubMed code 19821563

Compile data set for download or QSAR
Found 28 hits of Enzyme Inhibition Constant Data   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50299505
PNG
(3 9-dihydro-N-desmethyl-N-isopropylerythromycin A ...)
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](O)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C39H73NO13/c1-15-27-39(12,47)32(43)22(6)29(41)20(4)17-37(10,46)34(53-36-30(42)26(16-21(5)49-36)40(13)19(2)3)23(7)31(24(8)35(45)51-27)52-28-18-38(11,48-14)33(44)25(9)50-28/h19-34,36,41-44,46-47H,15-18H2,1-14H3/t20-,21-,22+,23+,24-,25+,26+,27-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Kosan Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells

J Med Chem 52: 6851-9 (2009)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		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 |r|
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 39n/an/an/an/an/an/a



Kosan Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells

J Med Chem 52: 6851-9 (2009)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50299517
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)NC)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C42H78N2O14/c1-16-29-42(12,51)35(47)24(6)33(53-20-30(45)43-13)22(4)18-40(10,50)37(58-39-32(46)28(17-23(5)54-39)44(14)21(2)3)25(7)34(26(8)38(49)56-29)57-31-19-41(11,52-15)36(48)27(9)55-31/h21-29,31-37,39,46-48,50-51H,16-20H2,1-15H3,(H,43,45)/t22-,23-,24+,25+,26-,27+,28+,29-,31+,32-,33+,34+,35-,36+,37-,39+,40-,41-,42-/m1/s1
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n/an/a 411n/an/an/an/an/an/a



Kosan Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells

J Med Chem 52: 6851-9 (2009)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50299510
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)NCCO)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C43H80N2O15/c1-15-30-43(12,53)36(49)25(6)34(55-21-31(47)44-16-17-46)23(4)19-41(10,52)38(60-40-33(48)29(18-24(5)56-40)45(13)22(2)3)26(7)35(27(8)39(51)58-30)59-32-20-42(11,54-14)37(50)28(9)57-32/h22-30,32-38,40,46,48-50,52-53H,15-21H2,1-14H3,(H,44,47)/t23-,24-,25+,26+,27-,28+,29+,30-,32+,33-,34+,35+,36-,37+,38-,40+,41-,42-,43-/m1/s1
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n/an/an/an/a 120n/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)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50299514
PNG
(CHEMBL582873 | N-benzyl-2-((2R,3S,4R,5R,6S,7R,9R,1...)
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)NCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C48H82N2O14/c1-15-35-48(12,57)41(53)29(6)39(59-25-36(51)49-24-33-19-17-16-18-20-33)27(4)22-46(10,56)43(64-45-38(52)34(21-28(5)60-45)50(13)26(2)3)30(7)40(31(8)44(55)62-35)63-37-23-47(11,58-14)42(54)32(9)61-37/h16-20,26-32,34-35,37-43,45,52-54,56-57H,15,21-25H2,1-14H3,(H,49,51)/t27-,28-,29+,30+,31-,32+,34+,35-,37+,38-,39+,40+,41-,42+,43-,45+,46-,47-,48-/m1/s1
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n/an/an/an/a 79n/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)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50299516
PNG
(CHEMBL584552 | N-ethyl-2-((2R,3S,4R,5R,6S,7R,9R,10...)
Show SMILES CCNC(=O)CO[C@H]1[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(C)C)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C |r|
Show InChI InChI=1S/C43H80N2O14/c1-16-30-43(13,52)36(48)25(7)34(54-21-31(46)44-17-2)23(5)19-41(11,51)38(59-40-33(47)29(18-24(6)55-40)45(14)22(3)4)26(8)35(27(9)39(50)57-30)58-32-20-42(12,53-15)37(49)28(10)56-32/h22-30,32-38,40,47-49,51-52H,16-21H2,1-15H3,(H,44,46)/t23-,24-,25+,26+,27-,28+,29+,30-,32+,33-,34+,35+,36-,37+,38-,40+,41-,42-,43-/m1/s1
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n/an/an/an/a 67n/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)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50299520
PNG
(CHEMBL582870 | N-cyclobutyl-2-((2R,3S,4R,5R,6S,7R,...)
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)NC2CCC2)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C45H82N2O14/c1-15-32-45(12,54)38(50)26(6)36(56-22-33(48)46-30-17-16-18-30)24(4)20-43(10,53)40(61-42-35(49)31(19-25(5)57-42)47(13)23(2)3)27(7)37(28(8)41(52)59-32)60-34-21-44(11,55-14)39(51)29(9)58-34/h23-32,34-40,42,49-51,53-54H,15-22H2,1-14H3,(H,46,48)/t24-,25-,26+,27+,28-,29+,31+,32-,34+,35-,36+,37+,38-,39+,40-,42+,43-,44-,45-/m1/s1
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n/an/an/an/a 28n/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)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		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 |r|
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/an/an/a 1.20E+3n/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)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50299503
PNG
(2-((2R,3S,4R,5R,6S,7R,9R,10R,11S,12S,13R)-10-((2S,...)
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)C2CCC2)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C43H78N2O14/c1-14-30-43(10,52)36(48)24(4)34(54-21-31(46)44-11)22(2)19-41(8,51)38(59-40-33(47)29(18-23(3)55-40)45(12)28-16-15-17-28)25(5)35(26(6)39(50)57-30)58-32-20-42(9,53-13)37(49)27(7)56-32/h22-30,32-38,40,47-49,51-52H,14-21H2,1-13H3,(H,44,46)/t22-,23-,24+,25+,26-,27+,29+,30-,32+,33-,34+,35+,36-,37+,38-,40+,41-,42-,43-/m1/s1
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n/an/an/an/a 510n/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)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50299504
PNG
(5-((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](OCCCCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C45H84N2O14/c1-16-32-45(12,54)38(50)27(6)36(56-20-18-17-19-33(48)46-13)25(4)22-43(10,53)40(61-42-35(49)31(21-26(5)57-42)47(14)24(2)3)28(7)37(29(8)41(52)59-32)60-34-23-44(11,55-15)39(51)30(9)58-34/h24-32,34-40,42,49-51,53-54H,16-23H2,1-15H3,(H,46,48)/t25-,26-,27+,28+,29-,30+,31+,32-,34+,35-,36+,37+,38-,39+,40-,42+,43-,44-,45-/m1/s1
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n/an/an/an/a 270n/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)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50299513
PNG
(4-((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](OCCCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C44H82N2O14/c1-16-31-44(12,53)37(49)26(6)35(55-19-17-18-32(47)45-13)24(4)21-42(10,52)39(60-41-34(48)30(20-25(5)56-41)46(14)23(2)3)27(7)36(28(8)40(51)58-31)59-33-22-43(11,54-15)38(50)29(9)57-33/h23-31,33-39,41,48-50,52-53H,16-22H2,1-15H3,(H,45,47)/t24-,25-,26+,27+,28-,29+,30+,31-,33+,34-,35+,36+,37-,38+,39-,41+,42-,43-,44-/m1/s1
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n/an/an/an/a 84n/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)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50299515
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)Nc2cnccn2)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C45H78N4O14/c1-15-31-45(12,56)38(52)26(6)36(58-22-33(50)48-32-21-46-16-17-47-32)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/h16-17,21,23-31,34-40,42,51-53,55-56H,15,18-20,22H2,1-14H3,(H,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 69n/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)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
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 |wU:24.24,8.8,29.33,36.38,6.6,20.21,2.1,12.12,26.27,wD:22.23,10.9,30.32,45.48,12.18,43.46,47.51,15.15,c:42,(6.35,-6.68,;6.37,-5.14,;7.71,-4.39,;7.7,-5.93,;9.03,-6.7,;9.01,-8.24,;10.37,-5.93,;11.7,-6.7,;10.37,-4.39,;11.7,-5.16,;13.03,-5.93,;13.03,-7.47,;14.35,-8.24,;13.56,-9.57,;15.69,-7.47,;15.69,-5.95,;17.02,-5.16,;14.36,-5.16,;15.1,-9.57,;16.64,-9.57,;11.71,-3.64,;13.04,-4.42,;11.72,-2.1,;13.05,-1.34,;14.38,-.56,;15.71,-1.31,;17.04,-.56,;18.37,-1.33,;17.04,.98,;15.71,1.77,;14.38,.98,;13.05,1.75,;15.71,3.31,;17.04,4.08,;14.38,4.08,;14.38,5.62,;10.39,-1.31,;11.72,-.54,;10.39,.23,;9.06,1,;9.08,2.54,;7.73,.23,;8.82,-.85,;7.72,-1.31,;6.38,-.54,;6.39,-2.08,;5.06,-1.29,;6.38,-3.62,;5.04,-4.35,)|
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)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50299500
PNG
(3-(((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](OCc2cccc(c2)C(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C48H82N2O14/c1-16-35-48(12,57)40(52)28(6)38(59-24-32-18-17-19-33(21-32)43(54)49-13)26(4)22-46(10,56)42(64-45-37(51)34(20-27(5)60-45)50(14)25(2)3)29(7)39(30(8)44(55)62-35)63-36-23-47(11,58-15)41(53)31(9)61-36/h17-19,21,25-31,34-42,45,51-53,56-57H,16,20,22-24H2,1-15H3,(H,49,54)/t26-,27-,28+,29+,30-,31+,34+,35-,36+,37-,38+,39+,40-,41+,42-,45+,46-,47-,48-/m1/s1
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n/an/an/an/a 2.10E+3n/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)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50299508
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)NC(C)C)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C44H82N2O14/c1-17-31-44(14,53)37(49)26(8)35(55-21-32(47)45-22(2)3)24(6)19-42(12,52)39(60-41-34(48)30(18-25(7)56-41)46(15)23(4)5)27(9)36(28(10)40(51)58-31)59-33-20-43(13,54-16)38(50)29(11)57-33/h22-31,33-39,41,48-50,52-53H,17-21H2,1-16H3,(H,45,47)/t24-,25-,26+,27+,28-,29+,30+,31-,33+,34-,35+,36+,37-,38+,39-,41+,42-,43-,44-/m1/s1
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n/an/an/an/a 140n/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)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50299509
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)NC2CCOCC2)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C46H84N2O15/c1-15-33-46(12,55)39(51)27(6)37(58-23-34(49)47-31-16-18-57-19-17-31)25(4)21-44(10,54)41(63-43-36(50)32(20-26(5)59-43)48(13)24(2)3)28(7)38(29(8)42(53)61-33)62-35-22-45(11,56-14)40(52)30(9)60-35/h24-33,35-41,43,50-52,54-55H,15-23H2,1-14H3,(H,47,49)/t25-,26-,27+,28+,29-,30+,32+,33-,35+,36-,37+,38+,39-,40+,41-,43+,44-,45-,46-/m1/s1
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n/an/an/an/a 120n/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)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50299499
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)NCCOC)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C44H82N2O15/c1-16-31-44(12,53)37(49)26(6)35(56-22-32(47)45-17-18-54-14)24(4)20-42(10,52)39(61-41-34(48)30(19-25(5)57-41)46(13)23(2)3)27(7)36(28(8)40(51)59-31)60-33-21-43(11,55-15)38(50)29(9)58-33/h23-31,33-39,41,48-50,52-53H,16-22H2,1-15H3,(H,45,47)/t24-,25-,26+,27+,28-,29+,30+,31-,33+,34-,35+,36+,37-,38+,39-,41+,42-,43-,44-/m1/s1
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n/an/an/an/a 50n/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)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50299511
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)NOC)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C42H78N2O15/c1-16-29-42(12,51)35(47)24(6)33(54-20-30(45)43-53-15)22(4)18-40(10,50)37(59-39-32(46)28(17-23(5)55-39)44(13)21(2)3)25(7)34(26(8)38(49)57-29)58-31-19-41(11,52-14)36(48)27(9)56-31/h21-29,31-37,39,46-48,50-51H,16-20H2,1-15H3,(H,43,45)/t22-,23-,24+,25+,26-,27+,28+,29-,31+,32-,33+,34+,35-,36+,37-,39+,40-,41-,42-/m1/s1
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n/an/an/an/a 92n/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)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50299518
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(N)=O)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C41H76N2O14/c1-15-28-41(12,50)34(46)23(6)32(52-19-29(42)44)21(4)17-39(10,49)36(57-38-31(45)27(16-22(5)53-38)43(13)20(2)3)24(7)33(25(8)37(48)55-28)56-30-18-40(11,51-14)35(47)26(9)54-30/h20-28,30-36,38,45-47,49-50H,15-19H2,1-14H3,(H2,42,44)/t21-,22-,23+,24+,25-,26+,27+,28-,30+,31-,32+,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1
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n/an/an/an/a 52n/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)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50299519
PNG
(CHEMBL582869 | N-cyclopropyl-2-((2R,3S,4R,5R,6S,7R...)
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)NC2CC2)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C44H80N2O14/c1-15-31-44(12,53)37(49)25(6)35(55-21-32(47)45-29-16-17-29)23(4)19-42(10,52)39(60-41-34(48)30(18-24(5)56-41)46(13)22(2)3)26(7)36(27(8)40(51)58-31)59-33-20-43(11,54-14)38(50)28(9)57-33/h22-31,33-39,41,48-50,52-53H,15-21H2,1-14H3,(H,45,47)/t23-,24-,25+,26+,27-,28+,30+,31-,33+,34-,35+,36+,37-,38+,39-,41+,42-,43-,44-/m1/s1
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n/an/an/an/a 31n/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)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50299506
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)NCC(F)(F)F)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C43H77F3N2O14/c1-15-29-42(12,55)35(51)24(6)33(57-19-30(49)47-20-43(44,45)46)22(4)17-40(10,54)37(62-39-32(50)28(16-23(5)58-39)48(13)21(2)3)25(7)34(26(8)38(53)60-29)61-31-18-41(11,56-14)36(52)27(9)59-31/h21-29,31-37,39,50-52,54-55H,15-20H2,1-14H3,(H,47,49)/t22-,23-,24+,25+,26-,27+,28+,29-,31+,32-,33+,34+,35-,36+,37-,39+,40-,41-,42-/m1/s1
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n/an/an/an/a 160n/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)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50299507
PNG
(6-((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](OCCCCCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C46H86N2O14/c1-16-33-46(12,55)39(51)28(6)37(57-21-19-17-18-20-34(49)47-13)26(4)23-44(10,54)41(62-43-36(50)32(22-27(5)58-43)48(14)25(2)3)29(7)38(30(8)42(53)60-33)61-35-24-45(11,56-15)40(52)31(9)59-35/h25-33,35-41,43,50-52,54-55H,16-24H2,1-15H3,(H,47,49)/t26-,27-,28+,29+,30-,31+,32+,33-,35+,36-,37+,38+,39-,40+,41-,43+,44-,45-,46-/m1/s1
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n/an/an/an/a 150n/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)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50299512
PNG
(2-((2R,3R,4S,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)NC)[C@H](C)[C@@H](O)[C@H]1C |r|
Show InChI InChI=1S/C42H78N2O13/c1-16-30-24(6)33(46)25(7)35(52-20-31(45)43-13)22(4)18-41(11,50)38(57-40-34(47)29(17-23(5)53-40)44(14)21(2)3)26(8)36(27(9)39(49)55-30)56-32-19-42(12,51-15)37(48)28(10)54-32/h21-30,32-38,40,46-48,50H,16-20H2,1-15H3,(H,43,45)/t22-,23-,24+,25-,26+,27-,28+,29+,30-,32+,33+,34-,35+,36+,37+,38-,40+,41-,42-/m1/s1
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n/an/an/an/a 90n/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)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
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 |r|
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)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50299505
PNG
(3 9-dihydro-N-desmethyl-N-isopropylerythromycin A ...)
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](O)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C39H73NO13/c1-15-27-39(12,47)32(43)22(6)29(41)20(4)17-37(10,46)34(53-36-30(42)26(16-21(5)49-36)40(13)19(2)3)23(7)31(24(8)35(45)51-27)52-28-18-38(11,48-14)33(44)25(9)50-28/h19-34,36,41-44,46-47H,15-18H2,1-14H3/t20-,21-,22+,23+,24-,25+,26+,27-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39-/m1/s1
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n/an/an/an/a 260n/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)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50299517
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)NC)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C42H78N2O14/c1-16-29-42(12,51)35(47)24(6)33(53-20-30(45)43-13)22(4)18-40(10,50)37(58-39-32(46)28(17-23(5)54-39)44(14)21(2)3)25(7)34(26(8)38(49)56-29)57-31-19-41(11,52-15)36(48)27(9)55-31/h21-29,31-37,39,46-48,50-51H,16-20H2,1-15H3,(H,43,45)/t22-,23-,24+,25+,26-,27+,28+,29-,31+,32-,33+,34+,35-,36+,37-,39+,40-,41-,42-/m1/s1
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n/an/an/an/a 58n/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)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50299501
PNG
(4-(((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](OCc2ccc(cc2)C(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C48H82N2O14/c1-16-35-48(12,57)40(52)28(6)38(59-24-32-17-19-33(20-18-32)43(54)49-13)26(4)22-46(10,56)42(64-45-37(51)34(21-27(5)60-45)50(14)25(2)3)29(7)39(30(8)44(55)62-35)63-36-23-47(11,58-15)41(53)31(9)61-36/h17-20,25-31,34-42,45,51-53,56-57H,16,21-24H2,1-15H3,(H,49,54)/t26-,27-,28+,29+,30-,31+,34+,35-,36+,37-,38+,39+,40-,41+,42-,45+,46-,47-,48-/m1/s1
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n/an/an/an/a 1.50E+3n/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)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50299502
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)N(C)C)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C43H80N2O14/c1-17-30-43(12,52)36(48)25(6)34(54-21-31(46)44(13)14)23(4)19-41(10,51)38(59-40-33(47)29(18-24(5)55-40)45(15)22(2)3)26(7)35(27(8)39(50)57-30)58-32-20-42(11,53-16)37(49)28(9)56-32/h22-30,32-38,40,47-49,51-52H,17-21H2,1-16H3/t23-,24-,25+,26+,27-,28+,29+,30-,32+,33-,34+,35+,36-,37+,38-,40+,41-,42-,43-/m1/s1
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n/an/an/an/a 660n/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)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%