BDBM1936 Alternate Carboxamide-Containing Phenprocoumon deriv. XVII::N-(2(R)-Hydroxyindan-1(S)-yl)-3-[1-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propyl]benzamide::N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(4-hydroxy-2-oxo-2H-chromen-3-yl)propyl]benzamide

SMILES CCC(c1cccc(c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)c1c(O)c2ccccc2oc1=O

InChI Key InChIKey=QLWCXHBZDCQZFT-NWBNSPHESA-N

Data  1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 1936   

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

LigandPNGBDBM1936(Alternate Carboxamide-Containing Phenprocoumon der...)
Show SMILES CCC(c1cccc(c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C28H25NO5/c1-2-19(24-26(31)21-12-5-6-13-23(21)34-28(24)33)16-9-7-10-18(14-16)27(32)29-25-20-11-4-3-8-17(20)15-22(25)30/h3-14,19,22,25,30-31H,2,15H2,1H3,(H,29,32)/t19?,22-,25+/m1/s1
Affinity DataKi:  3.40E+3nM ΔG°:  -7.38kcal/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
Ligand InfoPC cidPC sid