BDBM50602759 CHEMBL5175405

SMILES OCC1Cc2c(cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c12)-c1cc(ccn1)-c1ccccc1

InChI Key InChIKey=QREMQPVDTOTTLU-UHFFFAOYSA-N

Data  1 KI  2 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 3 hits for monomerid = 50602759   

TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50602759(CHEMBL5175405)
Affinity DataKi:  6.09E+3nMAssay Description:Mixed type inhibition of SARS-CoV-2 3CL protease using Dabcyl-KNSTLQSGLRKE-Edan as substrate incubated for 30 mins and measured by Lineweaver-Burk pl...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50602759(CHEMBL5175405)
Affinity DataIC50:  5.35E+3nMAssay Description:Inhibition of SARS-CoV 3CL protease using Dabcyl-KNSTLQSGLRKE-Edan as substrate incubated for 30 mins and measured by FRET assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50602759(CHEMBL5175405)
Affinity DataIC50:  1.55E+3nMAssay Description:Inhibition of SARS-CoV-2 3CL protease using Dabcyl-KNSTLQSGLRKE-Edan as substrate incubated for 30 mins and measured by FRET assayMore data for this Ligand-Target Pair
In DepthDetails PubMed