BDBM175541 US9688672, Example 321

SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(Cl)c(cc2F)-n2cnc(C)c2)n1

InChI Key InChIKey=STJRILYULWTXJS-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 175541   

LigandPNGBDBM175541(US9688672, Example 321)
Affinity DataIC50: 13nMpH: 7.5 T: 2°CAssay Description:The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2018
Entry Details
US Patent