BDBM309968 US9656996, Compound 35

SMILES COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(O[C@H]3CCC(CC3)N3CCCCC3)cc(F)cc12)N1CCOCC1

InChI Key InChIKey=PGHUYIUIFKALBC-SAWYFRRKSA-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 = 309968   

TargetTumor necrosis factor(Homo sapiens (Human))
Shanghai Yingli Pharmaceutical

US Patent
LigandPNGBDBM309968(US9656996, Compound 35)
Affinity DataIC50:  105nMAssay Description:1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS.2. The compound was formulated in 100% DMSO in a concentr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent