BDBM1931 4-Hydroxy-3-[1-3-[[3-[(tert-butyloxycarbonyl)amino]-1-oxopropyl]amino]phenyl]propyl]-7-methoxycoumarin::Carboxamide-Containing 4-Hydroxycoumarin analogue XII::tert-butyl N-[2-({3-[1-(4-hydroxy-7-methoxy-2-oxo-2H-chromen-3-yl)propyl]phenyl}carbamoyl)ethyl]carbamate

SMILES CCC(c1cccc(NC(=O)CCNC(=O)OC(C)(C)C)c1)c1c(O)c2ccc(OC)cc2oc1=O

InChI Key InChIKey=MGTVQECALGJYFR-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 = 1931   

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

LigandPNGBDBM1931(4-Hydroxy-3-[1-3-[[3-[(tert-butyloxycarbonyl)amino...)
Affinity DataKi:  170nM ΔG°:  -9.14kcal/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
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