BDBM50250808 CHEMBL518243::lithospermic acid

SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c2O[C@@H]([C@@H](C(O)=O)c12)c1ccc(O)c(O)c1

InChI Key InChIKey=UJZQBMQZMKFSRV-RGKBJLTCSA-N

Data  5 KI  1 IC50

  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 = 50250808   

TargetCarbonic anhydrase 4(Homo sapiens (Human))
Aristotle University Of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50250808(CHEMBL518243 | lithospermic acid)
Affinity DataKi:  101nM ΔG°:  -9.54kcal/moleT: 2°CAssay Description:Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed