BDBM1933 Carboxamide-Containing 4-Hydroxycoumarin analogue XIV::[3-[[3-[Cyclopropyl(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)methyl]phenyl]amino]-3-oxopropylcarbamic acid tert-butyl ester::tert-butyl N-[2-({3-[cyclopropyl(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]phenyl}carbamoyl)ethyl]carbamate

SMILES CC(C)(C)OC(=O)NCCC(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2ccccc2oc1=O

InChI Key InChIKey=DCDOBUCYDJKITL-UHFFFAOYSA-N

Data  1 KI

  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 1 hit for monomerid = 1933   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Upjohn

LigandPNGBDBM1933(tert-butyl N-[2-({3-[cyclopropyl(4-hydroxy-2-oxo-2...)
Affinity DataKi:  86nM ΔG°:  -9.54kcal/molepH: 5.0 T: 2°CAssay Description:HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2004
Entry Details Article
PubMed