BDBM181797 US9144538, Troleandomycin

SMILES CCC[C@@H]([C@@H](OC(C)=O)[C@@H](O)OCCCC(C)(O)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)COC(=O)[C@H](C)[C@H](CC)OCC[C@H](OC)[C@@H](OC(C)=O)[C@H](C)O)N(C)C

InChI Key InChIKey=LNUHZDUFPBKGJY-BOUSWSJVSA-N

Data  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 181797   

TargetCytochrome P450 3A4(Homo sapiens (Human))
The Procter & Gamble Company

US Patent
LigandPNGBDBM181797(US9144538, Troleandomycin)
Show SMILES CCC[C@@H]([C@@H](OC(C)=O)[C@@H](O)OCCCC(C)(O)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)COC(=O)[C@H](C)[C@H](CC)OCC[C@H](OC)[C@@H](OC(C)=O)[C@H](C)O)N(C)C
Show InChI InChI=1S/C39H71NO15/c1-14-17-30(40(11)12)35(55-29(9)44)38(47)51-20-16-19-39(10,48)36(45)25(5)33(53-27(7)42)23(3)22-52-37(46)24(4)31(15-2)50-21-18-32(49-13)34(26(6)41)54-28(8)43/h23-26,30-35,38,41,47-48H,14-22H2,1-13H3/t23-,24+,25+,26-,30-,31-,32-,33-,34-,35+,38-,39?/m0/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute ...More data for this Ligand-Target Pair