Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab [1541-1855]' and Ligand = 'BDBM154573'
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM154573(8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...)
Show SMILES Nc1ncnc2[nH]c(nc12)C(F)(F)F
Show InChI InChI=1S/C6H4F3N5/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H3,10,11,12,13,14)
Affinity DataKi:  1.15E+4nM IC50: 1.09E+4nMpH: 7.5Assay Description:done in a single pass in black 384-well plates (Matrix Technologies). The SARS-PLpro enzyme (20 nM final concentration) was prepared in an assay buff...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM154573(8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...)
Show SMILES Nc1ncnc2[nH]c(nc12)C(F)(F)F
Show InChI InChI=1S/C6H4F3N5/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H3,10,11,12,13,14)
Affinity DataKd:  2.63E+4nMpH: 7.4Assay Description:Each PLpro enzyme was immobilized on a CM5 sensor chip using standard aminecoupling with running buffer HBS-P (10 mM HEPES, 150 mM NaCl, 0.05% surfac...More data for this Ligand-Target Pair