BDBM50408997 CHEMBL2062137::L-754394

SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cnc3occc3c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key InChIKey=UBUFVRJUGFJQSI-UHFFFAOYSA-N

Data  2 KI  1 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 = 50408997   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50408997(L-754394 | CHEMBL2062137)
Affinity DataIC50: 0.350nMAssay Description:Inhibition of HIV-1 protease in vitro.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/15/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50408997(L-754394 | CHEMBL2062137)
Affinity DataKi:  7.50E+3nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50408997(L-754394 | CHEMBL2062137)
Affinity DataKi:  3.20E+4nMAssay Description:Mechanism based inhibition of human cytochrome P450 2D6 measured by bufurarol 1'-hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed