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Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'tsuzuki' and Initial = 'k'   
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)
BDBM50421355
PNG
(CHEMBL289955)
Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@](C)(CC(C)O2)OC)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 |wU:48.53,12.12,wD:22.23,10.9,30.32,37.39,48.52,12.18,44.47,c:43,(-2.61,-6.72,;-2.99,-5.23,;-1.89,-4.14,;-2.12,-5.65,;-.83,-6.49,;-.86,-8.03,;.5,-5.68,;1.89,-6.35,;.31,-4.15,;1.64,-4.91,;2.97,-5.68,;2.97,-7.22,;4.3,-7.99,;2.96,-8.75,;5.63,-7.22,;5.63,-5.68,;6.96,-4.91,;4.3,-4.91,;4.7,-9.47,;3.6,-10.55,;1.75,-3.55,;3.03,-4.39,;1.75,-1.99,;3.03,-1.15,;4.37,-.38,;5.69,-1.15,;7.02,-.38,;8.36,-1.15,;7.02,1.16,;5.69,1.93,;4.37,1.16,;3.03,1.93,;5.69,3.47,;4.36,4.24,;7.03,4.24,;7.03,5.78,;8.36,3.47,;.33,-1.38,;1.42,-.28,;.54,.13,;-.75,.97,;-.74,2.51,;-2.07,.16,;-.97,-.93,;-1.86,-1.36,;-3.2,-.59,;-3.29,-1.97,;-4.57,-1.1,;-3.31,-3.51,;-4.08,-4.84,;-4.8,-3.1,;-5.9,-4.18,)|
Show InChI InChI=1S/C40H69NO11/c1-16-29-40(12,46-15)34(43)25(7)32-22(4)18-39(11,52-32)35(51-37-31(42)28(17-23(5)48-37)41(13)21(2)3)26(8)33(27(9)36(44)49-29)50-30-20-38(10,45-14)19-24(6)47-30/h21,23-31,33,35,37,42H,16-20H2,1-15H3/t23?,24?,25-,26?,27?,28?,29?,30-,31+,33?,35+,37?,38-,39-,40+/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards motilin receptor was determined after treatment with hydrochloric acid in rabbit small intestinal smooth muscle tis...


Bioorg Med Chem Lett 4: 1649-1654 (1994)


Article DOI: 10.1016/S0960-894X(01)80583-7
BindingDB Entry DOI: 10.7270/Q2K075JS
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50421358
PNG
(CHEMBL45141)
Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@](C)(CC(C)O2)OC)C(C)[C@@H](OC2CC(CC(C)O2)N(C)C(C)C)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC |wU:47.52,12.12,wD:10.9,22.23,36.38,47.51,12.18,43.46,c:42,(-2.61,-6.72,;-2.99,-5.23,;-1.89,-4.14,;-2.12,-5.65,;-.83,-6.49,;-.86,-8.03,;.5,-5.68,;1.89,-6.35,;.31,-4.15,;1.64,-4.91,;2.97,-5.68,;2.97,-7.22,;4.3,-7.99,;2.96,-8.75,;5.63,-7.22,;5.63,-5.68,;6.96,-4.91,;4.3,-4.91,;4.7,-9.47,;3.6,-10.55,;1.75,-3.55,;3.03,-4.39,;1.75,-1.99,;3.03,-1.15,;4.37,-.38,;4.37,1.16,;5.69,1.93,;7.02,1.16,;7.02,-.38,;8.36,-1.15,;5.69,-1.15,;5.69,3.47,;4.36,4.24,;7.03,4.24,;7.03,5.78,;8.36,3.47,;.33,-1.38,;1.42,-.28,;.54,.13,;-.75,.97,;-.74,2.51,;-2.07,.16,;-.97,-.93,;-1.86,-1.36,;-3.2,-.59,;-3.29,-1.97,;-4.57,-1.1,;-3.31,-3.51,;-4.08,-4.84,;-4.8,-3.1,;-5.9,-4.18,)|
Show InChI InChI=1S/C40H69NO10/c1-16-30-40(12,45-15)35(42)26(7)33-23(4)19-39(11,51-33)36(50-31-18-29(17-24(5)46-31)41(13)22(2)3)27(8)34(28(9)37(43)48-30)49-32-21-38(10,44-14)20-25(6)47-32/h22,24-32,34,36H,16-21H2,1-15H3/t24?,25?,26-,27?,28?,29?,30?,31?,32-,34?,36+,38-,39-,40+/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards motilin receptor was determined in rabbit small intestinal smooth muscle tissue homogenate


Bioorg Med Chem Lett 4: 1649-1654 (1994)


Article DOI: 10.1016/S0960-894X(01)80583-7
BindingDB Entry DOI: 10.7270/Q2K075JS
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50421357
PNG
(CHEMBL297168)
Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@](C)(CC(C)O2)OC)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 |wU:46.51,12.12,wD:22.23,10.9,30.32,35.37,46.50,12.18,42.45,c:41,(-2.61,-6.72,;-2.99,-5.23,;-1.89,-4.14,;-2.12,-5.65,;-.83,-6.49,;-.86,-8.03,;.5,-5.68,;1.89,-6.35,;.31,-4.15,;1.64,-4.91,;2.97,-5.68,;2.97,-7.22,;4.3,-7.99,;2.96,-8.75,;5.63,-7.22,;5.63,-5.68,;6.96,-4.91,;4.3,-4.91,;4.7,-9.47,;3.6,-10.55,;1.75,-3.55,;3.03,-4.39,;1.75,-1.99,;3.03,-1.15,;4.37,-.38,;5.69,-1.15,;7.02,-.38,;8.36,-1.15,;7.02,1.16,;5.69,1.93,;4.37,1.16,;3.03,1.93,;5.69,3.47,;4.36,4.24,;7.03,4.24,;.33,-1.38,;1.42,-.28,;.54,.13,;-.75,.97,;-.74,2.51,;-2.07,.16,;-.97,-.93,;-1.86,-1.36,;-3.2,-.59,;-3.29,-1.97,;-4.57,-1.1,;-3.31,-3.51,;-4.08,-4.84,;-4.8,-3.1,;-5.9,-4.18,)|
Show InChI InChI=1S/C38H65NO11/c1-15-27-38(10,44-14)32(41)23(5)30-20(2)17-37(9,50-30)33(49-35-29(40)26(39(11)12)16-21(3)46-35)24(6)31(25(7)34(42)47-27)48-28-19-36(8,43-13)18-22(4)45-28/h21-29,31,33,35,40H,15-19H2,1-14H3/t21?,22?,23-,24?,25?,26?,27?,28-,29+,31?,33+,35?,36-,37-,38+/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards motilin receptor was determined in rabbit small intestinal smooth muscle tissue homogenate


Bioorg Med Chem Lett 4: 1649-1654 (1994)


Article DOI: 10.1016/S0960-894X(01)80583-7
BindingDB Entry DOI: 10.7270/Q2K075JS
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50421355
PNG
(CHEMBL289955)
Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@](C)(CC(C)O2)OC)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 |wU:48.53,12.12,wD:22.23,10.9,30.32,37.39,48.52,12.18,44.47,c:43,(-2.61,-6.72,;-2.99,-5.23,;-1.89,-4.14,;-2.12,-5.65,;-.83,-6.49,;-.86,-8.03,;.5,-5.68,;1.89,-6.35,;.31,-4.15,;1.64,-4.91,;2.97,-5.68,;2.97,-7.22,;4.3,-7.99,;2.96,-8.75,;5.63,-7.22,;5.63,-5.68,;6.96,-4.91,;4.3,-4.91,;4.7,-9.47,;3.6,-10.55,;1.75,-3.55,;3.03,-4.39,;1.75,-1.99,;3.03,-1.15,;4.37,-.38,;5.69,-1.15,;7.02,-.38,;8.36,-1.15,;7.02,1.16,;5.69,1.93,;4.37,1.16,;3.03,1.93,;5.69,3.47,;4.36,4.24,;7.03,4.24,;7.03,5.78,;8.36,3.47,;.33,-1.38,;1.42,-.28,;.54,.13,;-.75,.97,;-.74,2.51,;-2.07,.16,;-.97,-.93,;-1.86,-1.36,;-3.2,-.59,;-3.29,-1.97,;-4.57,-1.1,;-3.31,-3.51,;-4.08,-4.84,;-4.8,-3.1,;-5.9,-4.18,)|
Show InChI InChI=1S/C40H69NO11/c1-16-29-40(12,46-15)34(43)25(7)32-22(4)18-39(11,52-32)35(51-37-31(42)28(17-23(5)48-37)41(13)21(2)3)26(8)33(27(9)36(44)49-29)50-30-20-38(10,45-14)19-24(6)47-30/h21,23-31,33,35,37,42H,16-20H2,1-15H3/t23?,24?,25-,26?,27?,28?,29?,30-,31+,33?,35+,37?,38-,39-,40+/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards motilin receptor was determined in rabbit small intestinal smooth muscle tissue homogenate


Bioorg Med Chem Lett 4: 1649-1654 (1994)


Article DOI: 10.1016/S0960-894X(01)80583-7
BindingDB Entry DOI: 10.7270/Q2K075JS
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 |wU:48.53,12.12,wD:23.24,10.9,31.33,46.49,12.13,16.16,37.39,48.52,44.47,c:43,(-2.8,-3.98,;-2.77,-2.44,;-1.44,-1.68,;-1.44,-3.21,;-.13,-3.98,;-.13,-5.53,;1.22,-3.21,;2.56,-3.98,;1.22,-1.68,;2.53,-2.46,;3.87,-3.23,;3.87,-4.75,;5.2,-5.53,;3.84,-6.29,;6.53,-6.3,;6.53,-7.84,;6.53,-4.78,;7.86,-5.54,;6.53,-3.23,;7.89,-2.46,;5.2,-2.46,;2.56,-.91,;3.89,-1.68,;2.56,.65,;3.89,1.43,;5.22,2.2,;6.58,1.44,;7.89,2.21,;9.24,1.44,;7.89,3.76,;6.55,4.53,;5.22,3.76,;3.87,4.5,;6.55,6.07,;5.22,6.83,;7.89,6.84,;9.22,6.07,;1.22,1.4,;2.56,2.17,;1.22,2.95,;-.11,3.72,;-.13,5.26,;-1.44,2.95,;-.67,1.61,;-1.44,1.4,;-2.94,1.8,;-2.77,.63,;-4.32,.63,;-2.77,-.91,;-3.87,-2.01,;-4.32,-.91,)|
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 3.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for in vitro motilin receptor binding, expressed as negative logarithm of IC50


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)
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 |wU:48.53,12.12,wD:23.24,10.9,31.33,46.49,12.13,16.16,37.39,48.52,44.47,c:43,(-2.8,-3.98,;-2.77,-2.44,;-1.44,-1.68,;-1.44,-3.21,;-.13,-3.98,;-.13,-5.53,;1.22,-3.21,;2.56,-3.98,;1.22,-1.68,;2.53,-2.46,;3.87,-3.23,;3.87,-4.75,;5.2,-5.53,;3.84,-6.29,;6.53,-6.3,;6.53,-7.84,;6.53,-4.78,;7.86,-5.54,;6.53,-3.23,;7.89,-2.46,;5.2,-2.46,;2.56,-.91,;3.89,-1.68,;2.56,.65,;3.89,1.43,;5.22,2.2,;6.58,1.44,;7.89,2.21,;9.24,1.44,;7.89,3.76,;6.55,4.53,;5.22,3.76,;3.87,4.5,;6.55,6.07,;5.22,6.83,;7.89,6.84,;9.22,6.07,;1.22,1.4,;2.56,2.17,;1.22,2.95,;-.11,3.72,;-.13,5.26,;-1.44,2.95,;-.67,1.61,;-1.44,1.4,;-2.94,1.8,;-2.77,.63,;-4.32,.63,;-2.77,-.91,;-3.87,-2.01,;-4.32,-.91,)|
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 3.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards motilin receptor was determined in rabbit small intestinal smooth muscle tissue homogenate


Bioorg Med Chem Lett 4: 1649-1654 (1994)


Article DOI: 10.1016/S0960-894X(01)80583-7
BindingDB Entry DOI: 10.7270/Q2K075JS
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50421356
PNG
(CHEMBL43313)
Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@](C)(CC(C)O2)OC)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 |wU:47.52,12.12,wD:22.23,10.9,30.32,36.38,47.51,12.18,43.46,c:42,(-2.61,-6.72,;-2.99,-5.23,;-1.89,-4.14,;-2.12,-5.65,;-.83,-6.49,;-.86,-8.03,;.5,-5.68,;1.89,-6.35,;.31,-4.15,;1.64,-4.91,;2.97,-5.68,;2.97,-7.22,;4.3,-7.99,;2.96,-8.75,;5.63,-7.22,;5.63,-5.68,;6.96,-4.91,;4.3,-4.91,;4.7,-9.47,;3.6,-10.55,;1.75,-3.55,;3.03,-4.39,;1.75,-1.99,;3.03,-1.15,;4.37,-.38,;5.69,-1.15,;7.02,-.38,;8.36,-1.15,;7.02,1.16,;5.69,1.93,;4.37,1.16,;3.03,1.93,;5.69,3.47,;4.36,4.24,;7.03,4.24,;7.03,5.78,;.33,-1.38,;1.42,-.28,;.54,.13,;-.75,.97,;-.74,2.51,;-2.07,.16,;-.97,-.93,;-1.86,-1.36,;-3.2,-.59,;-3.29,-1.97,;-4.57,-1.1,;-3.31,-3.51,;-4.08,-4.84,;-4.8,-3.1,;-5.9,-4.18,)|
Show InChI InChI=1S/C39H67NO11/c1-15-28-39(11,45-14)33(42)24(6)31-21(3)18-38(10,51-31)34(50-36-30(41)27(40(12)16-2)17-22(4)47-36)25(7)32(26(8)35(43)48-28)49-29-20-37(9,44-13)19-23(5)46-29/h22-30,32,34,36,41H,15-20H2,1-14H3/t22?,23?,24-,25?,26?,27?,28?,29-,30+,32?,34+,36?,37-,38-,39+/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards motilin receptor was determined in rabbit small intestinal smooth muscle tissue homogenate


Bioorg Med Chem Lett 4: 1649-1654 (1994)


Article DOI: 10.1016/S0960-894X(01)80583-7
BindingDB Entry DOI: 10.7270/Q2K075JS
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50421356
PNG
(CHEMBL43313)
Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@](C)(CC(C)O2)OC)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 |wU:47.52,12.12,wD:22.23,10.9,30.32,36.38,47.51,12.18,43.46,c:42,(-2.61,-6.72,;-2.99,-5.23,;-1.89,-4.14,;-2.12,-5.65,;-.83,-6.49,;-.86,-8.03,;.5,-5.68,;1.89,-6.35,;.31,-4.15,;1.64,-4.91,;2.97,-5.68,;2.97,-7.22,;4.3,-7.99,;2.96,-8.75,;5.63,-7.22,;5.63,-5.68,;6.96,-4.91,;4.3,-4.91,;4.7,-9.47,;3.6,-10.55,;1.75,-3.55,;3.03,-4.39,;1.75,-1.99,;3.03,-1.15,;4.37,-.38,;5.69,-1.15,;7.02,-.38,;8.36,-1.15,;7.02,1.16,;5.69,1.93,;4.37,1.16,;3.03,1.93,;5.69,3.47,;4.36,4.24,;7.03,4.24,;7.03,5.78,;.33,-1.38,;1.42,-.28,;.54,.13,;-.75,.97,;-.74,2.51,;-2.07,.16,;-.97,-.93,;-1.86,-1.36,;-3.2,-.59,;-3.29,-1.97,;-4.57,-1.1,;-3.31,-3.51,;-4.08,-4.84,;-4.8,-3.1,;-5.9,-4.18,)|
Show InChI InChI=1S/C39H67NO11/c1-15-28-39(11,45-14)33(42)24(6)31-21(3)18-38(10,51-31)34(50-36-30(41)27(40(12)16-2)17-22(4)47-36)25(7)32(26(8)35(43)48-28)49-29-20-37(9,44-13)19-23(5)46-29/h22-30,32,34,36,41H,15-20H2,1-14H3/t22?,23?,24-,25?,26?,27?,28?,29-,30+,32?,34+,36?,37-,38-,39+/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards motilin receptor was determined after treatment with hydrochloric acid in rabbit small intestinal smooth muscle tis...


Bioorg Med Chem Lett 4: 1649-1654 (1994)


Article DOI: 10.1016/S0960-894X(01)80583-7
BindingDB Entry DOI: 10.7270/Q2K075JS
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 |wU:48.53,12.12,wD:23.24,10.9,31.33,12.13,16.16,37.39,48.52,44.47,c:43,(-1.68,-4.26,;-1.66,-2.72,;-.32,-1.96,;-.32,-3.49,;.99,-4.26,;.99,-5.8,;2.32,-3.49,;3.67,-4.26,;2.34,-1.96,;3.66,-2.74,;4.99,-3.51,;4.99,-5.03,;6.31,-5.81,;4.96,-6.57,;7.65,-6.58,;7.65,-8.12,;7.65,-5.05,;8.99,-5.82,;7.65,-3.51,;8.99,-2.74,;6.32,-2.74,;3.67,-1.19,;5.01,-1.96,;3.68,.37,;5.01,1.15,;6.34,1.92,;7.68,1.16,;9.01,1.93,;10.34,1.16,;9.01,3.48,;7.67,4.25,;6.32,3.46,;4.99,4.25,;7.65,5.79,;6.32,6.55,;9,6.56,;8.99,8.1,;2.35,1.12,;3.68,1.89,;2.35,2.67,;1.01,3.44,;1.01,4.98,;-.32,2.67,;.45,1.33,;-.32,1.12,;-1.82,1.52,;-1.65,.35,;-3.2,.35,;-1.65,-1.19,;-2.75,-2.29,;-3.2,-1.19,;-3.97,-2.5,)|
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 3.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for in vitro motilin receptor binding, expressed as negative logarithm of IC50


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 |wU:48.53,12.12,wD:23.24,10.9,31.33,12.13,16.16,37.39,48.52,44.47,c:43,(-1.68,-4.26,;-1.66,-2.72,;-.32,-1.96,;-.32,-3.49,;.99,-4.26,;.99,-5.8,;2.32,-3.49,;3.67,-4.26,;2.34,-1.96,;3.66,-2.74,;4.99,-3.51,;4.99,-5.03,;6.31,-5.81,;4.96,-6.57,;7.65,-6.58,;7.65,-8.12,;7.65,-5.05,;8.99,-5.82,;7.65,-3.51,;8.99,-2.74,;6.32,-2.74,;3.67,-1.19,;5.01,-1.96,;3.68,.37,;5.01,1.15,;6.34,1.92,;7.68,1.16,;9.01,1.93,;10.34,1.16,;9.01,3.48,;7.67,4.25,;6.32,3.46,;4.99,4.25,;7.65,5.79,;6.32,6.55,;9,6.56,;8.99,8.1,;2.35,1.12,;3.68,1.89,;2.35,2.67,;1.01,3.44,;1.01,4.98,;-.32,2.67,;.45,1.33,;-.32,1.12,;-1.82,1.52,;-1.65,.35,;-3.2,.35,;-1.65,-1.19,;-2.75,-2.29,;-3.2,-1.19,;-3.97,-2.5,)|
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 3.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards motilin receptor was determined after treatment with hydrochloric acid in rabbit small intestinal smooth muscle tis...


Bioorg Med Chem Lett 4: 1649-1654 (1994)


Article DOI: 10.1016/S0960-894X(01)80583-7
BindingDB Entry DOI: 10.7270/Q2K075JS
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50421357
PNG
(CHEMBL297168)
Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@](C)(CC(C)O2)OC)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 |wU:46.51,12.12,wD:22.23,10.9,30.32,35.37,46.50,12.18,42.45,c:41,(-2.61,-6.72,;-2.99,-5.23,;-1.89,-4.14,;-2.12,-5.65,;-.83,-6.49,;-.86,-8.03,;.5,-5.68,;1.89,-6.35,;.31,-4.15,;1.64,-4.91,;2.97,-5.68,;2.97,-7.22,;4.3,-7.99,;2.96,-8.75,;5.63,-7.22,;5.63,-5.68,;6.96,-4.91,;4.3,-4.91,;4.7,-9.47,;3.6,-10.55,;1.75,-3.55,;3.03,-4.39,;1.75,-1.99,;3.03,-1.15,;4.37,-.38,;5.69,-1.15,;7.02,-.38,;8.36,-1.15,;7.02,1.16,;5.69,1.93,;4.37,1.16,;3.03,1.93,;5.69,3.47,;4.36,4.24,;7.03,4.24,;.33,-1.38,;1.42,-.28,;.54,.13,;-.75,.97,;-.74,2.51,;-2.07,.16,;-.97,-.93,;-1.86,-1.36,;-3.2,-.59,;-3.29,-1.97,;-4.57,-1.1,;-3.31,-3.51,;-4.08,-4.84,;-4.8,-3.1,;-5.9,-4.18,)|
Show InChI InChI=1S/C38H65NO11/c1-15-27-38(10,44-14)32(41)23(5)30-20(2)17-37(9,50-30)33(49-35-29(40)26(39(11)12)16-21(3)46-35)24(6)31(25(7)34(42)47-27)48-28-19-36(8,43-13)18-22(4)45-28/h21-29,31,33,35,40H,15-19H2,1-14H3/t21?,22?,23-,24?,25?,26?,27?,28-,29+,31?,33+,35?,36-,37-,38+/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards motilin receptor was determined after treatment with hydrochloric acid in rabbit small intestinal smooth muscle tis...


Bioorg Med Chem Lett 4: 1649-1654 (1994)


Article DOI: 10.1016/S0960-894X(01)80583-7
BindingDB Entry DOI: 10.7270/Q2K075JS
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 |wU:49.54,12.12,wD:23.24,10.9,31.33,12.13,16.16,38.40,49.53,45.48,c:44,(-1.28,-6.37,;-1.26,-4.82,;.08,-4.07,;.08,-5.6,;1.39,-6.36,;1.39,-7.9,;2.72,-5.6,;4.07,-6.37,;2.74,-4.07,;4.05,-4.84,;5.39,-5.61,;5.39,-7.14,;6.71,-7.91,;5.36,-8.67,;8.04,-8.68,;8.04,-10.23,;8.05,-7.15,;9.38,-7.93,;8.05,-5.61,;9.38,-4.84,;6.72,-4.84,;4.07,-3.3,;5.41,-4.07,;4.08,-1.74,;5.41,-.96,;6.74,-.17,;8.07,-.94,;9.41,-.17,;10.74,-.94,;9.41,1.37,;8.07,2.14,;6.72,1.36,;5.39,2.13,;8.05,3.69,;6.72,4.44,;9.4,4.46,;9.38,6,;10.73,3.69,;2.74,-.98,;4.08,-.21,;2.74,.56,;1.41,1.33,;1.4,2.88,;.08,.56,;.85,-.77,;.08,-.98,;-1.42,-.58,;-1.25,-1.75,;-2.8,-1.75,;-1.25,-3.3,;-2.35,-4.4,;-2.8,-3.3,;-3.58,-4.61,)|
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 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for in vitro motilin receptor binding, expressed as negative logarithm of IC50


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 |wU:49.54,12.12,wD:23.24,10.9,31.33,12.13,16.16,38.40,49.53,45.48,c:44,(-1.28,-6.37,;-1.26,-4.82,;.08,-4.07,;.08,-5.6,;1.39,-6.36,;1.39,-7.9,;2.72,-5.6,;4.07,-6.37,;2.74,-4.07,;4.05,-4.84,;5.39,-5.61,;5.39,-7.14,;6.71,-7.91,;5.36,-8.67,;8.04,-8.68,;8.04,-10.23,;8.05,-7.15,;9.38,-7.93,;8.05,-5.61,;9.38,-4.84,;6.72,-4.84,;4.07,-3.3,;5.41,-4.07,;4.08,-1.74,;5.41,-.96,;6.74,-.17,;8.07,-.94,;9.41,-.17,;10.74,-.94,;9.41,1.37,;8.07,2.14,;6.72,1.36,;5.39,2.13,;8.05,3.69,;6.72,4.44,;9.4,4.46,;9.38,6,;10.73,3.69,;2.74,-.98,;4.08,-.21,;2.74,.56,;1.41,1.33,;1.4,2.88,;.08,.56,;.85,-.77,;.08,-.98,;-1.42,-.58,;-1.25,-1.75,;-2.8,-1.75,;-1.25,-3.3,;-2.35,-4.4,;-2.8,-3.3,;-3.58,-4.61,)|
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 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards motilin receptor was determined in rabbit small intestinal smooth muscle tissue homogenate


Bioorg Med Chem Lett 4: 1649-1654 (1994)


Article DOI: 10.1016/S0960-894X(01)80583-7
BindingDB Entry DOI: 10.7270/Q2K075JS
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 |wU:48.53,12.12,wD:23.24,10.9,31.33,12.13,16.16,37.39,48.52,44.47,c:43,(-1.68,-4.26,;-1.66,-2.72,;-.32,-1.96,;-.32,-3.49,;.99,-4.26,;.99,-5.8,;2.32,-3.49,;3.67,-4.26,;2.34,-1.96,;3.66,-2.74,;4.99,-3.51,;4.99,-5.03,;6.31,-5.81,;4.96,-6.57,;7.65,-6.58,;7.65,-8.12,;7.65,-5.05,;8.99,-5.82,;7.65,-3.51,;8.99,-2.74,;6.32,-2.74,;3.67,-1.19,;5.01,-1.96,;3.68,.37,;5.01,1.15,;6.34,1.92,;7.68,1.16,;9.01,1.93,;10.34,1.16,;9.01,3.48,;7.67,4.25,;6.32,3.46,;4.99,4.25,;7.65,5.79,;6.32,6.55,;9,6.56,;8.99,8.1,;2.35,1.12,;3.68,1.89,;2.35,2.67,;1.01,3.44,;1.01,4.98,;-.32,2.67,;.45,1.33,;-.32,1.12,;-1.82,1.52,;-1.65,.35,;-3.2,.35,;-1.65,-1.19,;-2.75,-2.29,;-3.2,-1.19,;-3.97,-2.5,)|
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/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards motilin receptor was determined after treatment with hydrochloric acid in rabbit small intestinal smooth muscle tis...


Bioorg Med Chem Lett 4: 1649-1654 (1994)


Article DOI: 10.1016/S0960-894X(01)80583-7
BindingDB Entry DOI: 10.7270/Q2K075JS
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 |wU:48.53,12.12,wD:23.24,10.9,31.33,12.13,16.16,37.39,48.52,44.47,c:43,(-1.68,-4.26,;-1.66,-2.72,;-.32,-1.96,;-.32,-3.49,;.99,-4.26,;.99,-5.8,;2.32,-3.49,;3.67,-4.26,;2.34,-1.96,;3.66,-2.74,;4.99,-3.51,;4.99,-5.03,;6.31,-5.81,;4.96,-6.57,;7.65,-6.58,;7.65,-8.12,;7.65,-5.05,;8.99,-5.82,;7.65,-3.51,;8.99,-2.74,;6.32,-2.74,;3.67,-1.19,;5.01,-1.96,;3.68,.37,;5.01,1.15,;6.34,1.92,;7.68,1.16,;9.01,1.93,;10.34,1.16,;9.01,3.48,;7.67,4.25,;6.32,3.46,;4.99,4.25,;7.65,5.79,;6.32,6.55,;9,6.56,;8.99,8.1,;2.35,1.12,;3.68,1.89,;2.35,2.67,;1.01,3.44,;1.01,4.98,;-.32,2.67,;.45,1.33,;-.32,1.12,;-1.82,1.52,;-1.65,.35,;-3.2,.35,;-1.65,-1.19,;-2.75,-2.29,;-3.2,-1.19,;-3.97,-2.5,)|
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


(Oryctolagus cuniculus)
BDBM50108830
PNG
(2-Amino-N-[6-(3-tert-butyl-4-hydroxy-benzyl)-2,5,8...)
Show SMILES CC(C)(C)c1cc(CC2NC(=O)C(CCCCNC(=O)CNC2=O)NC(=O)C(N)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C30H41N5O5/c1-30(2,3)21-15-20(12-13-25(21)36)17-24-28(39)33-18-26(37)32-14-8-7-11-23(29(40)35-24)34-27(38)22(31)16-19-9-5-4-6-10-19/h4-6,9-10,12-13,15,22-24,36H,7-8,11,14,16-18,31H2,1-3H3,(H,32,37)(H,33,39)(H,34,38)(H,35,40)
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n/an/a 7n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the motilin receptor (MTL-R)


J Med Chem 45: 670-5 (2002)


BindingDB Entry DOI: 10.7270/Q23B5ZF9
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 |wU:49.54,12.12,wD:23.24,10.9,31.33,12.13,16.16,38.40,49.53,45.48,c:44,(-1.28,-6.37,;-1.26,-4.82,;.08,-4.07,;.08,-5.6,;1.39,-6.36,;1.39,-7.9,;2.72,-5.6,;4.07,-6.37,;2.74,-4.07,;4.05,-4.84,;5.39,-5.61,;5.39,-7.14,;6.71,-7.91,;5.36,-8.67,;8.04,-8.68,;8.04,-10.23,;8.05,-7.15,;9.38,-7.93,;8.05,-5.61,;9.38,-4.84,;6.72,-4.84,;4.07,-3.3,;5.41,-4.07,;4.08,-1.74,;5.41,-.96,;6.74,-.17,;8.07,-.94,;9.41,-.17,;10.74,-.94,;9.41,1.37,;8.07,2.14,;6.72,1.36,;5.39,2.13,;8.05,3.69,;6.72,4.44,;9.4,4.46,;9.38,6,;10.73,3.69,;2.74,-.98,;4.08,-.21,;2.74,.56,;1.41,1.33,;1.4,2.88,;.08,.56,;.85,-.77,;.08,-.98,;-1.42,-.58,;-1.25,-1.75,;-2.8,-1.75,;-1.25,-3.3,;-2.35,-4.4,;-2.8,-3.3,;-3.58,-4.61,)|
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/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards motilin receptor was determined after treatment with hydrochloric acid in rabbit small intestinal smooth muscle tis...


Bioorg Med Chem Lett 4: 1649-1654 (1994)


Article DOI: 10.1016/S0960-894X(01)80583-7
BindingDB Entry DOI: 10.7270/Q2K075JS
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 |wU:49.54,12.12,wD:23.24,10.9,31.33,12.13,16.16,38.40,49.53,45.48,c:44,(-1.28,-6.37,;-1.26,-4.82,;.08,-4.07,;.08,-5.6,;1.39,-6.36,;1.39,-7.9,;2.72,-5.6,;4.07,-6.37,;2.74,-4.07,;4.05,-4.84,;5.39,-5.61,;5.39,-7.14,;6.71,-7.91,;5.36,-8.67,;8.04,-8.68,;8.04,-10.23,;8.05,-7.15,;9.38,-7.93,;8.05,-5.61,;9.38,-4.84,;6.72,-4.84,;4.07,-3.3,;5.41,-4.07,;4.08,-1.74,;5.41,-.96,;6.74,-.17,;8.07,-.94,;9.41,-.17,;10.74,-.94,;9.41,1.37,;8.07,2.14,;6.72,1.36,;5.39,2.13,;8.05,3.69,;6.72,4.44,;9.4,4.46,;9.38,6,;10.73,3.69,;2.74,-.98,;4.08,-.21,;2.74,.56,;1.41,1.33,;1.4,2.88,;.08,.56,;.85,-.77,;.08,-.98,;-1.42,-.58,;-1.25,-1.75,;-2.8,-1.75,;-1.25,-3.3,;-2.35,-4.4,;-2.8,-3.3,;-3.58,-4.61,)|
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


(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 |wU:47.52,12.12,wD:23.24,10.9,31.33,12.13,16.16,36.38,47.51,43.46,c:42,(-1.7,-4.4,;-1.68,-2.85,;-.34,-2.09,;-.34,-3.62,;.97,-4.38,;.97,-5.92,;2.3,-3.62,;3.66,-4.4,;2.32,-2.09,;3.63,-2.86,;4.96,-3.63,;4.96,-5.17,;6.3,-5.94,;4.94,-6.69,;7.63,-6.71,;7.63,-8.25,;7.63,-5.18,;8.96,-5.95,;7.63,-3.63,;8.96,-2.86,;6.3,-2.86,;3.66,-1.32,;4.99,-2.09,;3.66,.23,;4.99,1.02,;6.32,1.79,;7.65,1.03,;8.99,1.8,;10.32,1.03,;8.99,3.34,;7.65,4.13,;6.3,3.34,;4.96,4.11,;7.63,5.66,;8.99,6.43,;6.3,6.42,;2.32,1,;3.66,1.77,;2.32,2.54,;.99,3.31,;.99,4.86,;-.34,2.54,;.43,1.21,;-.34,1,;-1.84,1.39,;-1.68,.23,;-3.22,.23,;-1.68,-1.32,;-2.77,-2.42,;-3.22,-1.32,;-3.99,-2.63,)|
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/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards motilin receptor was determined after treatment with hydrochloric acid in rabbit small intestinal smooth muscle tis...


Bioorg Med Chem Lett 4: 1649-1654 (1994)


Article DOI: 10.1016/S0960-894X(01)80583-7
BindingDB Entry DOI: 10.7270/Q2K075JS
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 |wU:47.52,12.12,wD:23.24,10.9,31.33,12.13,16.16,36.38,47.51,43.46,c:42,(-1.7,-4.4,;-1.68,-2.85,;-.34,-2.09,;-.34,-3.62,;.97,-4.38,;.97,-5.92,;2.3,-3.62,;3.66,-4.4,;2.32,-2.09,;3.63,-2.86,;4.96,-3.63,;4.96,-5.17,;6.3,-5.94,;4.94,-6.69,;7.63,-6.71,;7.63,-8.25,;7.63,-5.18,;8.96,-5.95,;7.63,-3.63,;8.96,-2.86,;6.3,-2.86,;3.66,-1.32,;4.99,-2.09,;3.66,.23,;4.99,1.02,;6.32,1.79,;7.65,1.03,;8.99,1.8,;10.32,1.03,;8.99,3.34,;7.65,4.13,;6.3,3.34,;4.96,4.11,;7.63,5.66,;8.99,6.43,;6.3,6.42,;2.32,1,;3.66,1.77,;2.32,2.54,;.99,3.31,;.99,4.86,;-.34,2.54,;.43,1.21,;-.34,1,;-1.84,1.39,;-1.68,.23,;-3.22,.23,;-1.68,-1.32,;-2.77,-2.42,;-3.22,-1.32,;-3.99,-2.63,)|
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)
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 |wU:47.52,12.12,wD:23.24,10.9,31.33,12.13,16.16,36.38,47.51,43.46,c:42,(-1.7,-4.4,;-1.68,-2.85,;-.34,-2.09,;-.34,-3.62,;.97,-4.38,;.97,-5.92,;2.3,-3.62,;3.66,-4.4,;2.32,-2.09,;3.63,-2.86,;4.96,-3.63,;4.96,-5.17,;6.3,-5.94,;4.94,-6.69,;7.63,-6.71,;7.63,-8.25,;7.63,-5.18,;8.96,-5.95,;7.63,-3.63,;8.96,-2.86,;6.3,-2.86,;3.66,-1.32,;4.99,-2.09,;3.66,.23,;4.99,1.02,;6.32,1.79,;7.65,1.03,;8.99,1.8,;10.32,1.03,;8.99,3.34,;7.65,4.13,;6.3,3.34,;4.96,4.11,;7.63,5.66,;8.99,6.43,;6.3,6.42,;2.32,1,;3.66,1.77,;2.32,2.54,;.99,3.31,;.99,4.86,;-.34,2.54,;.43,1.21,;-.34,1,;-1.84,1.39,;-1.68,.23,;-3.22,.23,;-1.68,-1.32,;-2.77,-2.42,;-3.22,-1.32,;-3.99,-2.63,)|
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)
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 |wU:47.52,12.12,wD:23.24,10.9,31.33,12.13,16.16,36.38,47.51,43.46,c:42,(-1.7,-4.4,;-1.68,-2.85,;-.34,-2.09,;-.34,-3.62,;.97,-4.38,;.97,-5.92,;2.3,-3.62,;3.66,-4.4,;2.32,-2.09,;3.63,-2.86,;4.96,-3.63,;4.96,-5.17,;6.3,-5.94,;4.94,-6.69,;7.63,-6.71,;7.63,-8.25,;7.63,-5.18,;8.96,-5.95,;7.63,-3.63,;8.96,-2.86,;6.3,-2.86,;3.66,-1.32,;4.99,-2.09,;3.66,.23,;4.99,1.02,;6.32,1.79,;7.65,1.03,;8.99,1.8,;10.32,1.03,;8.99,3.34,;7.65,4.13,;6.3,3.34,;4.96,4.11,;7.63,5.66,;8.99,6.43,;6.3,6.42,;2.32,1,;3.66,1.77,;2.32,2.54,;.99,3.31,;.99,4.86,;-.34,2.54,;.43,1.21,;-.34,1,;-1.84,1.39,;-1.68,.23,;-3.22,.23,;-1.68,-1.32,;-2.77,-2.42,;-3.22,-1.32,;-3.99,-2.63,)|
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 9.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards motilin receptor was determined in rabbit small intestinal smooth muscle tissue homogenate


Bioorg Med Chem Lett 4: 1649-1654 (1994)


Article DOI: 10.1016/S0960-894X(01)80583-7
BindingDB Entry DOI: 10.7270/Q2K075JS
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50108832
PNG
(2-Amino-N-[2-(3-tert-butyl-4-hydroxy-benzyl)-3,7,1...)
Show SMILES CC(C)(C)c1cc(CC2NC(=O)C(CCCCNC(=O)CCNC2=O)NC(=O)C(N)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C31H43N5O5/c1-31(2,3)22-17-21(12-13-26(22)37)19-25-29(40)34-16-14-27(38)33-15-8-7-11-24(30(41)36-25)35-28(39)23(32)18-20-9-5-4-6-10-20/h4-6,9-10,12-13,17,23-25,37H,7-8,11,14-16,18-19,32H2,1-3H3,(H,33,38)(H,34,40)(H,35,39)(H,36,41)
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n/an/a 10n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the motilin receptor (MTL-R)


J Med Chem 45: 670-5 (2002)


BindingDB Entry DOI: 10.7270/Q23B5ZF9
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50108833
PNG
(2-Amino-N-[3-(3-tert-butyl-4-hydroxy-benzyl)-2,5,1...)
Show SMILES CC(C)(C)c1cc(CC2NC(=O)C(CCCCNC(=O)CCCCCNC2=O)NC(=O)C(N)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C34H49N5O5/c1-34(2,3)25-20-24(16-17-29(25)40)22-28-32(43)37-19-10-5-8-15-30(41)36-18-11-9-14-27(33(44)39-28)38-31(42)26(35)21-23-12-6-4-7-13-23/h4,6-7,12-13,16-17,20,26-28,40H,5,8-11,14-15,18-19,21-22,35H2,1-3H3,(H,36,41)(H,37,43)(H,38,42)(H,39,44)
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n/an/a 17n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the motilin receptor (MTL-R)


J Med Chem 45: 670-5 (2002)


BindingDB Entry DOI: 10.7270/Q23B5ZF9
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50108829
PNG
(2-Amino-N-[2-(3-tert-butyl-4-hydroxy-benzyl)-3,8,1...)
Show SMILES CC(C)(C)c1cc(CC2NC(=O)C(CCCCNC(=O)CCCNC2=O)NC(=O)C(N)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C32H45N5O5/c1-32(2,3)23-18-22(14-15-27(23)38)20-26-30(41)35-17-9-13-28(39)34-16-8-7-12-25(31(42)37-26)36-29(40)24(33)19-21-10-5-4-6-11-21/h4-6,10-11,14-15,18,24-26,38H,7-9,12-13,16-17,19-20,33H2,1-3H3,(H,34,39)(H,35,41)(H,36,40)(H,37,42)
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n/an/a 33n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the motilin receptor (MTL-R)


J Med Chem 45: 670-5 (2002)


BindingDB Entry DOI: 10.7270/Q23B5ZF9
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50108830
PNG
(2-Amino-N-[6-(3-tert-butyl-4-hydroxy-benzyl)-2,5,8...)
Show SMILES CC(C)(C)c1cc(CC2NC(=O)C(CCCCNC(=O)CNC2=O)NC(=O)C(N)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C30H41N5O5/c1-30(2,3)21-15-20(12-13-25(21)36)17-24-28(39)33-18-26(37)32-14-8-7-11-23(29(40)35-24)34-27(38)22(31)16-19-9-5-4-6-10-19/h4-6,9-10,12-13,15,22-24,36H,7-8,11,14,16-18,31H2,1-3H3,(H,32,37)(H,33,39)(H,34,38)(H,35,40)
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n/an/a 33n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the motilin receptor (MTL-R)


J Med Chem 45: 670-5 (2002)


BindingDB Entry DOI: 10.7270/Q23B5ZF9
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50108829
PNG
(2-Amino-N-[2-(3-tert-butyl-4-hydroxy-benzyl)-3,8,1...)
Show SMILES CC(C)(C)c1cc(CC2NC(=O)C(CCCCNC(=O)CCCNC2=O)NC(=O)C(N)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C32H45N5O5/c1-32(2,3)23-18-22(14-15-27(23)38)20-26-30(41)35-17-9-13-28(39)34-16-8-7-12-25(31(42)37-26)36-29(40)24(33)19-21-10-5-4-6-11-21/h4-6,10-11,14-15,18,24-26,38H,7-9,12-13,16-17,19-20,33H2,1-3H3,(H,34,39)(H,35,41)(H,36,40)(H,37,42)
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n/an/a 59n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the motilin receptor (MTL-R)


J Med Chem 45: 670-5 (2002)


BindingDB Entry DOI: 10.7270/Q23B5ZF9
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50108833
PNG
(2-Amino-N-[3-(3-tert-butyl-4-hydroxy-benzyl)-2,5,1...)
Show SMILES CC(C)(C)c1cc(CC2NC(=O)C(CCCCNC(=O)CCCCCNC2=O)NC(=O)C(N)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C34H49N5O5/c1-34(2,3)25-20-24(16-17-29(25)40)22-28-32(43)37-19-10-5-8-15-30(41)36-18-11-9-14-27(33(44)39-28)38-31(42)26(35)21-23-12-6-4-7-13-23/h4,6-7,12-13,16-17,20,26-28,40H,5,8-11,14-15,18-19,21-22,35H2,1-3H3,(H,36,41)(H,37,43)(H,38,42)(H,39,44)
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n/an/a 65n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the motilin receptor (MTL-R)


J Med Chem 45: 670-5 (2002)


BindingDB Entry DOI: 10.7270/Q23B5ZF9
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)
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)
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 155n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for in vitro motilin receptor binding, expressed as negative logarithm of IC50


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)
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 155n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for in vitro motilin receptor binding, expressed as negative logarithm of IC50


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 |r,wU:36.38,25.25,47.52,6.6,43.46,45.48,12.13,30.34,10.9,16.16,27.28,wD:8.8,23.24,47.51,31.33,21.22,12.12,2.1,18.18,c:42,(-6.58,-.4,;-6.58,1.13,;-5.23,1.91,;-3.9,1.13,;-3.9,-.4,;-5.23,-1.2,;-2.57,-1.2,;-2.57,-2.73,;-1.22,-.4,;.11,-1.2,;.11,-2.73,;1.44,-3.5,;1.44,-5.03,;2.99,-5.03,;2.19,-6.39,;3.75,-6.39,;.11,-5.81,;.11,-7.36,;-1.22,-5.03,;-2.57,-5.81,;-1.22,-3.5,;-1.22,1.13,;-2.57,1.91,;.11,1.91,;1.44,1.13,;2.77,1.91,;4.1,1.13,;5.45,1.91,;6.78,1.13,;5.45,3.44,;4.1,4.21,;2.77,3.44,;1.44,4.21,;4.1,5.76,;2.77,6.52,;5.45,6.52,;.11,3.44,;1.64,3.44,;.44,4.9,;-.44,6.16,;.55,7.36,;-2.33,6.72,;-1.88,4.46,;-3.9,5.76,;-5.23,6.52,;-3.9,4.21,;-2.57,3.44,;-5.23,3.44,;-6.78,3.44,;-6.01,4.79,)|
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)
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 |r,wU:36.38,25.25,47.52,6.6,43.46,45.48,12.13,30.34,10.9,16.16,27.28,wD:8.8,23.24,47.51,31.33,21.22,12.12,2.1,18.18,c:42,(-6.58,-.4,;-6.58,1.13,;-5.23,1.91,;-3.9,1.13,;-3.9,-.4,;-5.23,-1.2,;-2.57,-1.2,;-2.57,-2.73,;-1.22,-.4,;.11,-1.2,;.11,-2.73,;1.44,-3.5,;1.44,-5.03,;2.99,-5.03,;2.19,-6.39,;3.75,-6.39,;.11,-5.81,;.11,-7.36,;-1.22,-5.03,;-2.57,-5.81,;-1.22,-3.5,;-1.22,1.13,;-2.57,1.91,;.11,1.91,;1.44,1.13,;2.77,1.91,;4.1,1.13,;5.45,1.91,;6.78,1.13,;5.45,3.44,;4.1,4.21,;2.77,3.44,;1.44,4.21,;4.1,5.76,;2.77,6.52,;5.45,6.52,;.11,3.44,;1.64,3.44,;.44,4.9,;-.44,6.16,;.55,7.36,;-2.33,6.72,;-1.88,4.46,;-3.9,5.76,;-5.23,6.52,;-3.9,4.21,;-2.57,3.44,;-5.23,3.44,;-6.78,3.44,;-6.01,4.79,)|
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)
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 |wU:48.53,12.12,wD:23.24,10.9,31.33,46.49,12.13,16.16,37.39,48.52,44.47,c:43,(-2.8,-3.98,;-2.77,-2.44,;-1.44,-1.68,;-1.44,-3.21,;-.13,-3.98,;-.13,-5.53,;1.22,-3.21,;2.56,-3.98,;1.22,-1.68,;2.53,-2.46,;3.87,-3.23,;3.87,-4.75,;5.2,-5.53,;3.84,-6.29,;6.53,-6.3,;6.53,-7.84,;6.53,-4.78,;7.86,-5.54,;6.53,-3.23,;7.89,-2.46,;5.2,-2.46,;2.56,-.91,;3.89,-1.68,;2.56,.65,;3.89,1.43,;5.22,2.2,;6.58,1.44,;7.89,2.21,;9.24,1.44,;7.89,3.76,;6.55,4.53,;5.22,3.76,;3.87,4.5,;6.55,6.07,;5.22,6.83,;7.89,6.84,;9.22,6.07,;1.22,1.4,;2.56,2.17,;1.22,2.95,;-.11,3.72,;-.13,5.26,;-1.44,2.95,;-.67,1.61,;-1.44,1.4,;-2.94,1.8,;-2.77,.63,;-4.32,.63,;-2.77,-.91,;-3.87,-2.01,;-4.32,-.91,)|
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/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards motilin receptor was determined after treatment with hydrochloric acid in rabbit small intestinal smooth muscle tis...


Bioorg Med Chem Lett 4: 1649-1654 (1994)


Article DOI: 10.1016/S0960-894X(01)80583-7
BindingDB Entry DOI: 10.7270/Q2K075JS
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 |wU:48.53,12.12,wD:23.24,10.9,31.33,46.49,12.13,16.16,37.39,48.52,44.47,c:43,(-2.8,-3.98,;-2.77,-2.44,;-1.44,-1.68,;-1.44,-3.21,;-.13,-3.98,;-.13,-5.53,;1.22,-3.21,;2.56,-3.98,;1.22,-1.68,;2.53,-2.46,;3.87,-3.23,;3.87,-4.75,;5.2,-5.53,;3.84,-6.29,;6.53,-6.3,;6.53,-7.84,;6.53,-4.78,;7.86,-5.54,;6.53,-3.23,;7.89,-2.46,;5.2,-2.46,;2.56,-.91,;3.89,-1.68,;2.56,.65,;3.89,1.43,;5.22,2.2,;6.58,1.44,;7.89,2.21,;9.24,1.44,;7.89,3.76,;6.55,4.53,;5.22,3.76,;3.87,4.5,;6.55,6.07,;5.22,6.83,;7.89,6.84,;9.22,6.07,;1.22,1.4,;2.56,2.17,;1.22,2.95,;-.11,3.72,;-.13,5.26,;-1.44,2.95,;-.67,1.61,;-1.44,1.4,;-2.94,1.8,;-2.77,.63,;-4.32,.63,;-2.77,-.91,;-3.87,-2.01,;-4.32,-.91,)|
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)
BDBM50108836
PNG
(2-Amino-N-[2-(3,5-di-tert-butyl-4-hydroxy-benzyl)-...)
Show SMILES CC(C)(C)c1cc(CC2NC(=O)C(CCCCNC(=O)CCNC2=O)NC(=O)C(N)Cc2ccccc2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C35H51N5O5/c1-34(2,3)24-18-23(19-25(30(24)42)35(4,5)6)21-28-32(44)38-17-15-29(41)37-16-11-10-14-27(33(45)40-28)39-31(43)26(36)20-22-12-8-7-9-13-22/h7-9,12-13,18-19,26-28,42H,10-11,14-17,20-21,36H2,1-6H3,(H,37,41)(H,38,44)(H,39,43)(H,40,45)
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n/an/a 460n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the motilin receptor (MTL-R)


J Med Chem 45: 670-5 (2002)


BindingDB Entry DOI: 10.7270/Q23B5ZF9
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50108837
PNG
(2-Amino-N-[2-(4-sec-butoxy-benzyl)-3,7,14-trioxo-1...)
Show SMILES CCC(C)Oc1ccc(CC2NC(=O)C(CCCCNC(=O)CCNC2=O)NC(=O)C(N)Cc2ccccc2)cc1
Show InChI InChI=1S/C31H43N5O5/c1-3-21(2)41-24-14-12-23(13-15-24)20-27-30(39)34-18-16-28(37)33-17-8-7-11-26(31(40)36-27)35-29(38)25(32)19-22-9-5-4-6-10-22/h4-6,9-10,12-15,21,25-27H,3,7-8,11,16-20,32H2,1-2H3,(H,33,37)(H,34,39)(H,35,38)(H,36,40)
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n/an/a 480n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the motilin receptor (MTL-R)


J Med Chem 45: 670-5 (2002)


BindingDB Entry DOI: 10.7270/Q23B5ZF9
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50108828
PNG
(2-Amino-N-[2-(3-tert-butyl-4-hydroxy-benzyl)-3,7,1...)
Show SMILES CC(C)(C)c1cc(CC2NC(=O)C(CCCCNC(=O)CCNC2=O)NC(=O)[C@@H](N)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C31H43N5O5/c1-31(2,3)22-17-21(12-13-26(22)37)19-25-29(40)34-16-14-27(38)33-15-8-7-11-24(30(41)36-25)35-28(39)23(32)18-20-9-5-4-6-10-20/h4-6,9-10,12-13,17,23-25,37H,7-8,11,14-16,18-19,32H2,1-3H3,(H,33,38)(H,34,40)(H,35,39)(H,36,41)/t23-,24?,25?/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the motilin receptor (MTL-R)


J Med Chem 45: 670-5 (2002)


BindingDB Entry DOI: 10.7270/Q23B5ZF9
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50108827
PNG
(2-Amino-N-[2-(3-tert-butyl-4-hydroxy-benzyl)-3,7,1...)
Show SMILES CC(C)(C)c1cc(CC2NC(=O)[C@H](CCCCNC(=O)CCNC2=O)NC(=O)C(N)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C31H43N5O5/c1-31(2,3)22-17-21(12-13-26(22)37)19-25-29(40)34-16-14-27(38)33-15-8-7-11-24(30(41)36-25)35-28(39)23(32)18-20-9-5-4-6-10-20/h4-6,9-10,12-13,17,23-25,37H,7-8,11,14-16,18-19,32H2,1-3H3,(H,33,38)(H,34,40)(H,35,39)(H,36,41)/t23?,24-,25?/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the motilin receptor (MTL-R)


J Med Chem 45: 670-5 (2002)


BindingDB Entry DOI: 10.7270/Q23B5ZF9
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50108835
PNG
(2-Amino-N-[2-(3-tert-butyl-4-hydroxy-benzyl)-3,7,1...)
Show SMILES CC(C)(C)c1cc(C[C@H]2NC(=O)C(CCCCNC(=O)CCNC2=O)NC(=O)C(N)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C31H43N5O5/c1-31(2,3)22-17-21(12-13-26(22)37)19-25-29(40)34-16-14-27(38)33-15-8-7-11-24(30(41)36-25)35-28(39)23(32)18-20-9-5-4-6-10-20/h4-6,9-10,12-13,17,23-25,37H,7-8,11,14-16,18-19,32H2,1-3H3,(H,33,38)(H,34,40)(H,35,39)(H,36,41)/t23?,24?,25-/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the motilin receptor (MTL-R)


J Med Chem 45: 670-5 (2002)


BindingDB Entry DOI: 10.7270/Q23B5ZF9
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50108831
PNG
(2-Amino-N-[2-(4-tert-butoxy-benzyl)-3,7,14-trioxo-...)
Show SMILES CC(C)(C)Oc1ccc(CC2NC(=O)C(CCCCNC(=O)CCNC2=O)NC(=O)C(N)Cc2ccccc2)cc1
Show InChI InChI=1S/C31H43N5O5/c1-31(2,3)41-23-14-12-22(13-15-23)20-26-29(39)34-18-16-27(37)33-17-8-7-11-25(30(40)36-26)35-28(38)24(32)19-21-9-5-4-6-10-21/h4-6,9-10,12-15,24-26H,7-8,11,16-20,32H2,1-3H3,(H,33,37)(H,34,39)(H,35,38)(H,36,40)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the motilin receptor (MTL-R)


J Med Chem 45: 670-5 (2002)


BindingDB Entry DOI: 10.7270/Q23B5ZF9
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50108834
PNG
(2-Amino-N-[2-(4-hydroxy-benzyl)-3,7,14-trioxo-1,4,...)
Show SMILES NC(Cc1ccccc1)C(=O)NC1CCCCNC(=O)CCNC(=O)C(Cc2ccc(O)cc2)NC1=O
Show InChI InChI=1S/C27H35N5O5/c28-21(16-18-6-2-1-3-7-18)25(35)31-22-8-4-5-14-29-24(34)13-15-30-26(36)23(32-27(22)37)17-19-9-11-20(33)12-10-19/h1-3,6-7,9-12,21-23,33H,4-5,8,13-17,28H2,(H,29,34)(H,30,36)(H,31,35)(H,32,37)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the motilin receptor (MTL-R)


J Med Chem 45: 670-5 (2002)


BindingDB Entry DOI: 10.7270/Q23B5ZF9
More data for this
Ligand-Target Pair
Motilin receptor


(Oryctolagus cuniculus)
BDBM50108834
PNG
(2-Amino-N-[2-(4-hydroxy-benzyl)-3,7,14-trioxo-1,4,...)
Show SMILES NC(Cc1ccccc1)C(=O)NC1CCCCNC(=O)CCNC(=O)C(Cc2ccc(O)cc2)NC1=O
Show InChI InChI=1S/C27H35N5O5/c28-21(16-18-6-2-1-3-7-18)25(35)31-22-8-4-5-14-29-24(34)13-15-30-26(36)23(32-27(22)37)17-19-9-11-20(33)12-10-19/h1-3,6-7,9-12,21-23,33H,4-5,8,13-17,28H2,(H,29,34)(H,30,36)(H,31,35)(H,32,37)
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n/an/a 4.20E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the motilin receptor (MTL-R)


J Med Chem 45: 670-5 (2002)


BindingDB Entry DOI: 10.7270/Q23B5ZF9
More data for this
Ligand-Target Pair