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BDBM50299509 2-((2R,3S,4R,5R,6S,7R,9R,10R,11S,12S,13R)-2-ethyl-3,4,9-trihydroxy-10-((2S,3R,4S,6R)-3-hydroxy-4-(isopropyl(methyl)amino)-6-methyltetrahydro-2H-pyran-2-yloxy)-12-((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yloxy)-3,5,7,9,11,13-hexamethyl-14-oxooxacyclotetradecan-6-yloxy)-N-(tetrahydro-2H-pyran-4-yl)acetamide::CHEMBL582872

SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(C)C)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC2CCOCC2)[C@H](C)[C@@H](O)[C@]1(C)O

InChI Key: InChIKey=WFIWBTKNMQOMPT-YDDUQSQLSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50299509   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Motilin receptor


(Oryctolagus cuniculus)		BDBM50299509
PNG
(2-((2R,3S,4R,5R,6S,7R,9R,10R,11S,12S,13R)-2-ethyl-...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(C)C)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC2CCOCC2)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C46H84N2O15/c1-15-33-46(12,55)39(51)27(6)37(58-23-34(49)47-31-16-18-57-19-17-31)25(4)21-44(10,54)41(63-43-36(50)32(20-26(5)59-43)48(13)24(2)3)28(7)38(29(8)42(53)61-33)62-35-22-45(11,56-14)40(52)30(9)60-35/h24-33,35-41,43,50-52,54-55H,15-23H2,1-14H3,(H,47,49)/t25-,26-,27+,28+,29-,30+,32+,33-,35+,36-,37+,38+,39-,40+,41-,43+,44-,45-,46-/m1/s1
Reactome pathway
KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 120n/an/an/an/a



Kosan Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at motilin receptor in rabbit smooth muscle assessed as maximal possible tissue contraction

J Med Chem 52: 6851-9 (2009)


Article DOI: 10.1021/jm901107f
BindingDB Entry DOI: 10.7270/Q21C1XT1
More data for this
Ligand-Target Pair