BDBM50279638 CHEMBL4172273

SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3cc(c(O)cc3CC[C@@]21[H])-c1ccncc1

InChI Key InChIKey=CAGWQUXACULAAI-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50279638   

TargetCytochrome P450 1B1(Human)
Chu De Qu£Bec-Research Center

Curated by ChEMBL
LigandPNGBDBM50279638(CHEMBL4172273)
Affinity DataIC50: 32nMAssay Description:Inhibition of recombinant human CYP1B1 expressed in supersomes coexpressing P450 reductase using 7-ethyl-O-resorufin as substrate after 45 mins in pr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2020
Entry Details Article
PubMed
TargetCytochrome P450 1B1(Human)
Chu De Qu£Bec-Research Center

Curated by ChEMBL
LigandPNGBDBM50279638(CHEMBL4172273)
Affinity DataIC50: 240nMAssay Description:Inhibition of recombinant human CYP1B1 incubated for 45 mins using 7-ethyl-O-resorufin substrate in presence of NADPH regenerating system by fluoresc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetCytochrome P450 1A1(Human)
Laval University

Curated by ChEMBL
LigandPNGBDBM50279638(CHEMBL4172273)
Affinity DataIC50: 3.90E+3nMAssay Description:Inhibition of recombinant human CYP1A1 incubated for 25 mins using 7-ethyl-O-resorufin substrate in presence of NADPH regenerating system by fluoresc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed