BDBM14301 benzthiazole analog 4::benzyl N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-{1H-pyrrolo[2,3-c]pyridin-2-yl}propan-2-yl]carbamate

SMILES O=C(N[C@@H](Cc1cc2ccncc2[nH]1)C(=O)c1nc2ccccc2s1)OCc1ccccc1

InChI Key InChIKey=KHZPTDYZNRHGTO-FQEVSTJZSA-N

Data  2 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 2 hits for monomerid = 14301   

TargetSerine protease 1(Bos taurus (bovine))
Celera

LigandPNGBDBM14301(benzthiazole analog 4 | benzyl N-[(2S)-1-(1,3-benz...)
Affinity DataKi:  1.30E+4nMAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
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TargetTryptase beta-2(Homo sapiens (Human))
Celera

LigandPNGBDBM14301(benzthiazole analog 4 | benzyl N-[(2S)-1-(1,3-benz...)
Affinity DataKi:  4.50E+4nM ΔG°:  -5.87kcal/molepH: 7.4 T: 2°CAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed