BDBM719 (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[2-(isoquinolin-5-yloxy)acetamido]-3-(methylsulfanyl)propanamido]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide::CHEMBL231622::KNI-227

SMILES CSC[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C

InChI Key InChIKey=AHWCYDXQIXZVRK-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 719   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

LigandPNGBDBM719(CHEMBL231622 | (4R)-N-tert-butyl-3-[(2S,3S)-2-hydr...)
Affinity DataKi:  0.00230nM ΔG°:  -16.5kcal/molepH: 6.2 T: 2°CAssay Description:Inhibition constants were determined by a fluorometric assay with the fluorogenic substrate Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Lys(DABCYL)-Ar...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/17/2004
Entry Details Article
PubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

LigandPNGBDBM719(CHEMBL231622 | (4R)-N-tert-butyl-3-[(2S,3S)-2-hydr...)
Affinity DataKi:  0.0880nM ΔG°:  -14.3kcal/molepH: 6.0 T: 2°CAssay Description:Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2004
Entry Details Article
PubMed
TargetPlasmepsin II(Plasmodium falciparum)
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM719(CHEMBL231622 | (4R)-N-tert-butyl-3-[(2S,3S)-2-hydr...)
Affinity DataKi:  36nMAssay Description:Inhibition of Plasmodium falciparum plasmepsin-2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed