BDBM50421369 CHEMBL262052

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)OC

InChI Key: InChIKey=CVLATSXSEILGTD-DTZOFTIGSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50421369   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Motilin receptor (Homo sapiens (Human))	BDBM50421369 (CHEMBL262052) 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)OC |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,(5.06,-10.02,;5.07,-8.48,;6.17,-7.38,;6.16,-8.92,;7.49,-9.69,;7.49,-11.23,;8.82,-8.92,;10.15,-9.69,;8.82,-7.38,;10.15,-8.15,;11.48,-8.92,;11.46,-10.46,;12.79,-11.23,;11.46,-11.98,;14.12,-12,;14.12,-13.54,;14.12,-10.46,;15.45,-11.23,;14.12,-8.92,;15.45,-8.15,;12.79,-8.15,;10.15,-6.61,;11.48,-7.38,;10.13,-5.07,;11.46,-4.28,;12.79,-3.51,;14.14,-4.28,;15.45,-3.51,;16.8,-4.28,;15.45,-1.97,;14.12,-1.2,;12.79,-1.97,;11.44,-1.2,;14.12,.34,;15.45,1.14,;12.77,1.11,;12.76,2.65,;8.94,-4.11,;10.31,-3.44,;8.94,-2.57,;7.59,-1.83,;7.58,-.29,;6.26,-2.6,;7.35,-3.69,;6.28,-4.14,;4.93,-3.37,;4.95,-4.91,;3.6,-4.14,;4.95,-6.45,;4.18,-7.78,;3.45,-6.05,;2.12,-6.8,)| Show InChI InChI=1S/C39H69NO12/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/h21-29,31-34,36,41-43H,15-19H2,1-14H3/t21?,22-,23?,24?,25?,26?,27?,28-,29+,31?,32+,33-,34+,36?,37+,38-,39+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.70	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 (Homo sapiens (Human))	BDBM50421369 (CHEMBL262052) 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)OC |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,(5.06,-10.02,;5.07,-8.48,;6.17,-7.38,;6.16,-8.92,;7.49,-9.69,;7.49,-11.23,;8.82,-8.92,;10.15,-9.69,;8.82,-7.38,;10.15,-8.15,;11.48,-8.92,;11.46,-10.46,;12.79,-11.23,;11.46,-11.98,;14.12,-12,;14.12,-13.54,;14.12,-10.46,;15.45,-11.23,;14.12,-8.92,;15.45,-8.15,;12.79,-8.15,;10.15,-6.61,;11.48,-7.38,;10.13,-5.07,;11.46,-4.28,;12.79,-3.51,;14.14,-4.28,;15.45,-3.51,;16.8,-4.28,;15.45,-1.97,;14.12,-1.2,;12.79,-1.97,;11.44,-1.2,;14.12,.34,;15.45,1.14,;12.77,1.11,;12.76,2.65,;8.94,-4.11,;10.31,-3.44,;8.94,-2.57,;7.59,-1.83,;7.58,-.29,;6.26,-2.6,;7.35,-3.69,;6.28,-4.14,;4.93,-3.37,;4.95,-4.91,;3.6,-4.14,;4.95,-6.45,;4.18,-7.78,;3.45,-6.05,;2.12,-6.8,)| Show InChI InChI=1S/C39H69NO12/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/h21-29,31-34,36,41-43H,15-19H2,1-14H3/t21?,22-,23?,24?,25?,26?,27?,28-,29+,31?,32+,33-,34+,36?,37+,38-,39+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8.30	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