BDBM50421355 CHEMBL289955

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

InChI Key: InChIKey=RMFHRRZPSVILFQ-VJSOZDCOSA-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 = 50421355   

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 (Oryctolagus cuniculus)	BDBM50421355 (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	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.80	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)	BDBM50421355 (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	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.5	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