BDBM154573 8-(trifluoromethyl)-9H-purin-6-amine (4)::acs.jmedchem.1c00409_ST.555::jm5b01461, Compound 188

SMILES Nc1ncnc2[nH]c(nc12)C(F)(F)F

InChI Key InChIKey=LMWFSHBVFKCMHW-UHFFFAOYSA-N

Data  4 KI  10 IC50  3 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 154573   

TargetORF1a(Middle East respiratory syndrome coronavirus (Viru...)
University Of Illinois At Chicago

LigandPNGBDBM154573(8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...)
Affinity DataKi:  7.60E+3nM IC50:  6.20E+3nMpH: 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
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
University Of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM154573(8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...)
Affinity DataKi:  1.11E+4nMAssay Description:Mixed-type inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate assessed as enzyme-inhibitor complex by D...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
University Of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM154573(8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...)
Affinity DataKi:  1.11E+4nMAssay Description:Mixed-type inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate assessed as enzyme-substrate-inhibitor co...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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...)
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
In DepthDetails ArticlePubMed