BDBM50114219 (R)-4-((5S,6R,8S,9S,12R,14R,17S)-7-Hydroxy-3-(R)-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid 2-(2-sulfamoyl-benzothiazol-6-yloxy)-ethyl ester::CHEMBL3137795

SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)OCCOc1ccc2nc(sc2c1)S(N)(=O)=O

InChI Key InChIKey=ATSVOWOUCZMKQH-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 1 hit for monomerid = 50114219   

TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50114219((R)-4-((5S,6R,8S,9S,12R,14R,17S)-7-Hydroxy-3-(R)-h...)
Affinity DataKi:  10nMAssay Description:Inhibitory activity against human recombinant carbonic anhydrase II (CA2)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/5/2012
Entry Details Article
PubMed