BDBM579 (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[2-(isoquinolin-5-yloxy)acetamido]-3-(methylsulfanyl)propanamido]-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide::CHEMBL414640::KNI-272::Kynostatin 272::iQoa-Mta-Apns-Thz-NH-tBu

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

InChI Key InChIKey=NJBBLOIWMSYVCQ-UHFFFAOYSA-N

Data  12 KI  1 IC50  6 ITC

  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 = 579   

TargetDimer of Gag-Pol polyprotein [501-599,M537I](Human immunodeficiency virus type 1)
University of Florida College of Medicine

LigandChemical structure of BindingDB Monomer ID 579BDBM579(Kynostatin 272 | CHEMBL414640 | (4R)-N-tert-butyl-...)
Affinity DataKi:  0.600nM ΔG°:  -13.1kcal/molepH: 4.7 T: 2°CAssay Description:The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate.More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2004
Entry Details Article
PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 0 hits for monomerid = 579