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PubMed code 21570844

Compile data set for download or QSAR
Found 22 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))		BDBM50344950
PNG
(2-((2R,3S,4R,5R,6S,7R,9R,10R,11S,12S,13R)-2-ethyl-...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(C[C@H](C)O2)OC)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(C)C)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C42H78N2O13/c1-16-30-42(12,50)36(47)26(7)34(52-21-31(45)43-13)23(4)18-41(11,49)37(57-39-33(46)29(17-24(5)54-39)44(14)22(2)3)27(8)35(28(9)38(48)55-30)56-32-20-40(10,51-15)19-25(6)53-32/h22-30,32-37,39,46-47,49-50H,16-21H2,1-15H3,(H,43,45)/t23-,24-,25+,26+,27+,28-,29+,30-,32+,33-,34+,35+,36-,37-,39+,40+,41-,42-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Kosan Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG

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


Article DOI: 10.1016/j.bmcl.2011.04.078
BindingDB Entry DOI: 10.7270/Q21J9B3B
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 4.11E+5n/an/an/an/an/an/a



Kosan Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG

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


Article DOI: 10.1016/j.bmcl.2011.04.078
BindingDB Entry DOI: 10.7270/Q21J9B3B
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

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


Article DOI: 10.1016/j.bmcl.2011.04.078
BindingDB Entry DOI: 10.7270/Q21J9B3B
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50344943
PNG
((3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ethyl-7...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(C[C@H](C)O2)OC)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)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/C39H73NO12/c1-15-28-39(12,46)33(43)24(7)30(41)21(4)17-38(11,45)34(52-36-31(42)27(16-22(5)49-36)40(13)20(2)3)25(8)32(26(9)35(44)50-28)51-29-19-37(10,47-14)18-23(6)48-29/h20-34,36,41-43,45-46H,15-19H2,1-14H3/t21-,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 59n/an/an/an/a



Kosan Biosciences, Inc.

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2011.04.078
BindingDB Entry DOI: 10.7270/Q21J9B3B
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50344944
PNG
((3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-6-((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)C2CCC2)[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/C40H73NO12/c1-13-29-40(10,47)34(44)24(5)31(42)21(2)18-39(9,46)35(53-37-32(43)28(17-22(3)50-37)41(11)27-15-14-16-27)25(6)33(26(7)36(45)51-29)52-30-20-38(8,48-12)19-23(4)49-30/h21-35,37,42-44,46-47H,13-20H2,1-12H3/t21-,22-,23+,24+,25+,26-,28+,29-,30+,31+,32-,33+,34-,35-,37+,38+,39-,40-/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

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


Article DOI: 10.1016/j.bmcl.2011.04.078
BindingDB Entry DOI: 10.7270/Q21J9B3B
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50344951
PNG
(2-((2R,3S,4R,5R,6S,7R,9R,10R,11S,12S,13R)-2-ethyl-...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(C[C@H](C)O2)OC)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(C)C)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)N(C)C)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C43H80N2O13/c1-17-31-43(12,51)37(48)27(7)35(53-22-32(46)44(13)14)24(4)19-42(11,50)38(58-40-34(47)30(18-25(5)55-40)45(15)23(2)3)28(8)36(29(9)39(49)56-31)57-33-21-41(10,52-16)20-26(6)54-33/h23-31,33-38,40,47-48,50-51H,17-22H2,1-16H3/t24-,25-,26+,27+,28+,29-,30+,31-,33+,34-,35+,36+,37-,38-,40+,41+,42-,43-/m1/s1
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n/an/an/an/a 190n/an/an/an/a



Kosan Biosciences, Inc.

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2011.04.078
BindingDB Entry DOI: 10.7270/Q21J9B3B
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50344954
PNG
((3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ethyl-7...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(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)CCO)[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/C38H71NO14/c1-13-26-38(10,47)31(43)21(4)28(41)19(2)17-36(8,46)33(53-35-29(42)25(16-20(3)49-35)39(11)14-15-40)22(5)30(23(6)34(45)51-26)52-27-18-37(9,48-12)32(44)24(7)50-27/h19-33,35,40-44,46-47H,13-18H2,1-12H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
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n/an/an/an/a 210n/an/an/an/a



Kosan Biosciences, Inc.

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2011.04.078
BindingDB Entry DOI: 10.7270/Q21J9B3B
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50344945
PNG
((3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ethyl-7...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(C[C@H](C)O2)OC)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)CCO)[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/C38H71NO13/c1-13-27-38(10,46)32(43)23(5)29(41)20(2)17-37(9,45)33(52-35-30(42)26(16-21(3)49-35)39(11)14-15-40)24(6)31(25(7)34(44)50-27)51-28-19-36(8,47-12)18-22(4)48-28/h20-33,35,40-43,45-46H,13-19H2,1-12H3/t20-,21-,22+,23+,24+,25-,26+,27-,28+,29+,30-,31+,32-,33-,35+,36+,37-,38-/m1/s1
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n/an/an/an/a 63n/an/an/an/a



Kosan Biosciences, Inc.

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2011.04.078
BindingDB Entry DOI: 10.7270/Q21J9B3B
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50344949
PNG
(2-((2R,3S,4R,5R,6S,7R,9R,10R,11S,12S,13R)-2-ethyl-...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(C[C@H](C)O2)OC)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(C)C)[C@](C)(O)C[C@@H](C)[C@H](OCC(N)=O)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C41H76N2O13/c1-15-29-41(12,49)35(46)25(7)33(51-20-30(42)44)22(4)17-40(11,48)36(56-38-32(45)28(16-23(5)53-38)43(13)21(2)3)26(8)34(27(9)37(47)54-29)55-31-19-39(10,50-14)18-24(6)52-31/h21-29,31-36,38,45-46,48-49H,15-20H2,1-14H3,(H2,42,44)/t22-,23-,24+,25+,26+,27-,28+,29-,31+,32-,33+,34+,35-,36-,38+,39+,40-,41-/m1/s1
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n/an/an/an/a 36n/an/an/an/a



Kosan Biosciences, Inc.

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2011.04.078
BindingDB Entry DOI: 10.7270/Q21J9B3B
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50344947
PNG
((3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ethyl-7...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(C[C@H](C)O2)OC)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C[C@H](C)O)[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/c1-14-28-39(11,47)33(44)24(6)30(42)20(2)16-38(10,46)34(53-36-31(43)27(15-22(4)50-36)40(12)19-21(3)41)25(7)32(26(8)35(45)51-28)52-29-18-37(9,48-13)17-23(5)49-29/h20-34,36,41-44,46-47H,14-19H2,1-13H3/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 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

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


Article DOI: 10.1016/j.bmcl.2011.04.078
BindingDB Entry DOI: 10.7270/Q21J9B3B
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50344950
PNG
(2-((2R,3S,4R,5R,6S,7R,9R,10R,11S,12S,13R)-2-ethyl-...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(C[C@H](C)O2)OC)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(C)C)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C42H78N2O13/c1-16-30-42(12,50)36(47)26(7)34(52-21-31(45)43-13)23(4)18-41(11,49)37(57-39-33(46)29(17-24(5)54-39)44(14)22(2)3)27(8)35(28(9)38(48)55-30)56-32-20-40(10,51-15)19-25(6)53-32/h22-30,32-37,39,46-47,49-50H,16-21H2,1-15H3,(H,43,45)/t23-,24-,25+,26+,27+,28-,29+,30-,32+,33-,34+,35+,36-,37-,39+,40+,41-,42-/m1/s1
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n/an/an/an/a 17n/an/an/an/a



Kosan Biosciences, Inc.

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2011.04.078
BindingDB Entry DOI: 10.7270/Q21J9B3B
More data for this
Ligand-Target Pair
Motilin receptor


(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/an/an/a 1.00E+3n/an/an/an/a



Kosan Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at motilin receptor

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


Article DOI: 10.1016/j.bmcl.2011.04.078
BindingDB Entry DOI: 10.7270/Q21J9B3B
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Motilin receptor


(Oryctolagus cuniculus)		BDBM50344946
PNG
(2-(((2S,3R,4S,6R)-2-((3R,4S,5S,6R,7R,9R,10S,11S,12...)
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(=O)NC)[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/C39H72N2O13/c1-14-27-39(10,48)33(45)23(5)30(43)20(2)16-38(9,47)34(54-36-31(44)26(15-21(3)51-36)41(12)19-28(42)40-11)24(6)32(25(7)35(46)52-27)53-29-18-37(8,49-13)17-22(4)50-29/h20-27,29-34,36,43-45,47-48H,14-19H2,1-13H3,(H,40,42)/t20-,21-,22+,23+,24+,25-,26+,27-,29+,30+,31-,32+,33-,34-,36+,37+,38-,39-/m1/s1
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n/an/an/an/a>5.00E+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

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


Article DOI: 10.1016/j.bmcl.2011.04.078
BindingDB Entry DOI: 10.7270/Q21J9B3B
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

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


Article DOI: 10.1016/j.bmcl.2011.04.078
BindingDB Entry DOI: 10.7270/Q21J9B3B
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50344955
PNG
((3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ethyl-7...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(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@H](C)O)[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/C39H73NO14/c1-14-27-39(11,48)32(44)22(5)29(42)19(2)16-37(9,47)34(54-36-30(43)26(15-21(4)50-36)40(12)18-20(3)41)23(6)31(24(7)35(46)52-27)53-28-17-38(10,49-13)33(45)25(8)51-28/h19-34,36,41-45,47-48H,14-18H2,1-13H3/t19-,20+,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 360n/an/an/an/a



Kosan Biosciences, Inc.

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2011.04.078
BindingDB Entry DOI: 10.7270/Q21J9B3B
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50344956
PNG
((3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ethyl-7...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC(C)(C)O)[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/C40H75NO14/c1-15-27-40(12,49)32(44)22(4)29(42)20(2)17-38(10,48)34(55-36-30(43)26(16-21(3)51-36)41(13)19-37(8,9)47)23(5)31(24(6)35(46)53-27)54-28-18-39(11,50-14)33(45)25(7)52-28/h20-34,36,42-45,47-49H,15-19H2,1-14H3/t20-,21-,22+,23+,24-,25+,26+,27-,28+,29+,30-,31+,32-,33+,34-,36+,38-,39-,40-/m1/s1
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n/an/an/an/a 100n/an/an/an/a



Kosan Biosciences, Inc.

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2011.04.078
BindingDB Entry DOI: 10.7270/Q21J9B3B
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

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


Article DOI: 10.1016/j.bmcl.2011.04.078
BindingDB Entry DOI: 10.7270/Q21J9B3B
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

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


Article DOI: 10.1016/j.bmcl.2011.04.078
BindingDB Entry DOI: 10.7270/Q21J9B3B
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

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


Article DOI: 10.1016/j.bmcl.2011.04.078
BindingDB Entry DOI: 10.7270/Q21J9B3B
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

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


Article DOI: 10.1016/j.bmcl.2011.04.078
BindingDB Entry DOI: 10.7270/Q21J9B3B
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50344948
PNG
((3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ethyl-7...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(C[C@H](C)O2)OC)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC(C)(C)O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C40H75NO13/c1-15-28-40(12,48)33(44)24(5)30(42)21(2)17-39(11,47)34(54-36-31(43)27(16-22(3)51-36)41(13)20-37(8,9)46)25(6)32(26(7)35(45)52-28)53-29-19-38(10,49-14)18-23(4)50-29/h21-34,36,42-44,46-48H,15-20H2,1-14H3/t21-,22-,23+,24+,25+,26-,27+,28-,29+,30+,31-,32+,33-,34-,36+,38+,39-,40-/m1/s1
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n/an/an/an/a 24n/an/an/an/a



Kosan Biosciences, Inc.

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2011.04.078
BindingDB Entry DOI: 10.7270/Q21J9B3B
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)		BDBM50344953
PNG
((3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-6-((2S,3R,...)
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](O)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C40H73NO13/c1-13-28-40(10,48)33(44)22(4)30(42)20(2)18-38(8,47)35(54-37-31(43)27(17-21(3)50-37)41(11)26-15-14-16-26)23(5)32(24(6)36(46)52-28)53-29-19-39(9,49-12)34(45)25(7)51-29/h20-35,37,42-45,47-48H,13-19H2,1-12H3/t20-,21-,22+,23+,24-,25+,27+,28-,29+,30+,31-,32+,33-,34+,35-,37+,38-,39-,40-/m1/s1
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n/an/an/an/a 350n/an/an/an/a



Kosan Biosciences, Inc.

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2011.04.078
BindingDB Entry DOI: 10.7270/Q21J9B3B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%