Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Motilin receptor' and Ligand = 'BDBM50421352'   

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)	BDBM50421352 (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	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	155	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 (Homo sapiens (Human))	BDBM50421352 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	155	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested for in vitro motilin receptor binding affinity				Citation and Details Article DOI: 10.1016/0960-894X(95)00122-A BindingDB Entry DOI: 10.7270/Q2222W2B
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50421352 (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	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	155	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 (Homo sapiens (Human))	BDBM50421352 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	170	n/a	n/a	n/a	n/a	2.5	n/a
TBA					Assay Description Compound was tested for in vitro motilin receptor binding affinity after treatment with hydrochloric acid solution (pH 2.5)				Citation and Details Article DOI: 10.1016/0960-894X(95)00122-A BindingDB Entry DOI: 10.7270/Q2222W2B
					More data for this Ligand-Target Pair