BDBM50134247 4-(10-{4-[2-((6S,10R,17S)-17-Hydroxy-10-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl)-acetoxy]-butyl}-2,4-dioxo-4,10-dihydro-2H-pyrimido[4,5-b]quinolin-3-yl)-butyric acid ethyl ester::CHEMBL332643

SMILES CCOC(=O)CCCn1c(=O)nc2n(CCCCOC(=O)C[C@@H]3CC4C5CC[C@H](O)C5CCC4[C@@]4(C)CCC(=O)C=C34)c3ccccc3cc2c1=O

InChI Key InChIKey=AQWHKMMTMUZLNF-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50134247   

TargetCytochrome P450 3A4(Human)
University of Basel

Curated by ChEMBL
LigandPNGBDBM50134247(4-(10-{4-[2-((6S,10R,17S)-17-Hydroxy-10-methyl-3-o...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of Cytochrome P450 3A4 with midazolam (4-OH)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/8/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of Basel

Curated by ChEMBL
LigandPNGBDBM50134247(4-(10-{4-[2-((6S,10R,17S)-17-Hydroxy-10-methyl-3-o...)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of Cytochrome P450 3A4 with midazolam (1'-OH)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/8/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of Basel

Curated by ChEMBL
LigandPNGBDBM50134247(4-(10-{4-[2-((6S,10R,17S)-17-Hydroxy-10-methyl-3-o...)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of Cytochrome P450 3A4 with testosteroneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/8/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of Basel

Curated by ChEMBL
LigandPNGBDBM50134247(4-(10-{4-[2-((6S,10R,17S)-17-Hydroxy-10-methyl-3-o...)
Affinity DataIC50: 4.10E+3nMAssay Description:Inhibition of Cytochrome P450 3A4 with nifedipineMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/8/2012
Entry Details Article
PubMed