BDBM50041038 (S)-N-{(1S,2R,3S,4S)-1-Benzyl-2,3-dihydroxy-4-[(S)-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide::A-77003::CHEMBL266918::N-{(1S,2R,3S,4S)-1-Benzyl-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide::N-{(1S,2S,3R,4S)-1-Benzyl-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide

SMILES CC(C)C(NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)C(NC(=O)N(C)Cc1ccccn1)C(C)C

InChI Key InChIKey=QPVWMQXBTCSLCB-QCDOCHIXSA-N

Data  1 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 = 50041038   

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041038((S)-N-{(1S,2R,3S,4S)-1-Benzyl-2,3-dihydroxy-4-[(S)...)
Affinity DataKi:  140nMAssay Description:Compound was evaluated for the inhibitory constant towards Human Carbonic anhydrase II (HCA II)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed