BDBM50391429 CHEMBL215254::acs.jmedchem.1c00409_ST.620

SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(CO)c3ccc-21

InChI Key InChIKey=XDUXBBDRILEIEZ-UHFFFAOYSA-N

Data  1 KI  6 IC50

Find this compound or compounds like it in BindingDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50391429   

TargetReplicase polyprotein 1a(Human SARS coronavirus (SARS-CoV))
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM50391429(CHEMBL215254 | acs.jmedchem.1c00409_ST.620)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(CO)c3ccc-21
Show InChI InChI=1S/C19H18O4/c1-10-8-23-18-12-5-6-13-11(4-3-7-19(13,2)9-20)15(12)17(22)16(21)14(10)18/h5-6,8,20H,3-4,7,9H2,1-2H3
Affinity DataKi:  2.16E+4nMAssay Description:Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1a(Human SARS coronavirus (SARS-CoV))
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM50391429(CHEMBL215254 | acs.jmedchem.1c00409_ST.620)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(CO)c3ccc-21
Show InChI InChI=1S/C19H18O4/c1-10-8-23-18-12-5-6-13-11(4-3-7-19(13,2)9-20)15(12)17(22)16(21)14(10)18/h5-6,8,20H,3-4,7,9H2,1-2H3
Affinity DataIC50: 5.20E+4nMAssay Description:Inhibition of SARS-CoV PLpro deubiququitination expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate by fluorescence a...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1a(Human SARS coronavirus (SARS-CoV))
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM50391429(CHEMBL215254 | acs.jmedchem.1c00409_ST.620)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(CO)c3ccc-21
Show InChI InChI=1S/C19H18O4/c1-10-8-23-18-12-5-6-13-11(4-3-7-19(13,2)9-20)15(12)17(22)16(21)14(10)18/h5-6,8,20H,3-4,7,9H2,1-2H3
Affinity DataIC50: 2.48E+4nMAssay Description:Inhibition of SARS-CoV 3CLpro expressed in Escherichia coli BL21 (DE3) using Dabcyl-KNSTLQSGLRKE-Edan as substrate after 60 mins by FRET analysisMore data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
Michigan State University

LigandPNGBDBM50391429(CHEMBL215254 | acs.jmedchem.1c00409_ST.620)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(CO)c3ccc-21
Show InChI InChI=1S/C19H18O4/c1-10-8-23-18-12-5-6-13-11(4-3-7-19(13,2)9-20)15(12)17(22)16(21)14(10)18/h5-6,8,20H,3-4,7,9H2,1-2H3
Affinity DataIC50: 2.48E+4nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetReplicase polyprotein 1a(Human SARS coronavirus (SARS-CoV))
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM50391429(CHEMBL215254 | acs.jmedchem.1c00409_ST.620)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(CO)c3ccc-21
Show InChI InChI=1S/C19H18O4/c1-10-8-23-18-12-5-6-13-11(4-3-7-19(13,2)9-20)15(12)17(22)16(21)14(10)18/h5-6,8,20H,3-4,7,9H2,1-2H3
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate by fluorescence assayMore data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12(Homo sapiens (Human))
Korea Research Institute of Chemical Technology

Curated by ChEMBL
LigandPNGBDBM50391429(CHEMBL215254 | acs.jmedchem.1c00409_ST.620)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(CO)c3ccc-21
Show InChI InChI=1S/C19H18O4/c1-10-8-23-18-12-5-6-13-11(4-3-7-19(13,2)9-20)15(12)17(22)16(21)14(10)18/h5-6,8,20H,3-4,7,9H2,1-2H3
Affinity DataIC50: 4.80E+3nMAssay Description:Inhibition of EZH2 histone methyltransferase activity in EZH2/SUZ12/EED protein complex (unknown origin) using histone H3 peptide/S-adenosylmethionin...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1a(Human SARS coronavirus (SARS-CoV))
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM50391429(CHEMBL215254 | acs.jmedchem.1c00409_ST.620)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(CO)c3ccc-21
Show InChI InChI=1S/C19H18O4/c1-10-8-23-18-12-5-6-13-11(4-3-7-19(13,2)9-20)15(12)17(22)16(21)14(10)18/h5-6,8,20H,3-4,7,9H2,1-2H3
Affinity DataIC50: 1.07E+4nMAssay Description:Inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 30 mins by fluoresc...More data for this Ligand-Target Pair