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Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50042151   
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
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)
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)
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)
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
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)
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)
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 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)
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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Article
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