Found 4 hits Enz. Inhib. hit(s) with Target = 'Motilin receptor' and Ligand = 'BDBM50421354' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Motilin receptor
(Oryctolagus cuniculus) | BDBM50421354
(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 | Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 302 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 302 | n/a | n/a | n/a | n/a | 2.5 | 25 |
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 | |