BDBM1935 Carboxamide-Containing 4-Hydroxycoumarin analogue XVI::[3-[[3-[Cyclopropyl(4-hydroxy-7-methoxy-2-oxo-2H-1-benzopyran-3-yl)methyl]phenyl]amino]-3-oxopropyl]carbamic acid tert-butyl ester::tert-butyl N-[2-({3-[cyclopropyl(4-hydroxy-7-methoxy-2-oxo-2H-chromen-3-yl)methyl]phenyl}carbamoyl)ethyl]carbamate

SMILES COc1ccc2c(O)c(C(C3CC3)c3cccc(NC(=O)CCNC(=O)OC(C)(C)C)c3)c(=O)oc2c1

InChI Key InChIKey=UDBQSHPMEQJBIA-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 = 1935   

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

LigandPNGBDBM1935(Carboxamide-Containing 4-Hydroxycoumarin analogue ...)
Affinity DataKi:  28nM ΔG°:  -10.2kcal/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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