Assay Detail

CHEMBL2149727

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Binding

Inhibition of SARS-CoV 3CLpro expressed in Escherichia coli BL21 (DE3) using Dabcyl-KNSTLQSGLRKE-Edan as substrate after 60 mins by FRET analysis

ChEMBL ↗

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Target

Replicase polyprotein 1a (CHEMBL3927) ↗

Open DB target context

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Replicase polyprotein 1a (CHEMBL3927) is the working anchor for this assay review. Loading the live Open DB target snapshot…

Primary target Replicase polyprotein 1a

CHEMBL3927

Anchored from Assay target.

Protein identity Replicase polyprotein 1a

Disease frame Disease evidence pending

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Review focus Open DB context pending

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Total Activities

Compounds Tested

Activity Types

Assay Parameters

Assay Information

Assay Type	Binding
Organism	Severe acute respiratory syndrome-related coronavirus
Confidence	9 — Direct single protein target
Curated By	Autocuration

Target

Replicase polyprotein 1a (CHEMBL3927) ↗

Type	SINGLE PROTEIN
Organism	Severe acute respiratory syndrome-related coronavirus

Publication

Tanshinones as selective and slow-binding inhibitors for SARS-CoV cysteine proteases.

Park JY, Kim JH, Kim YM, Jeong HJ, Kim DW, Park KH, Kwon HJ, Park SJ, Lee WS, Ryu YB.
Bioorg Med Chem (2012) 20 : 5928 -5935
PubMed 22884354 · DOI

Activity Statistics

Type	Count	Avg pChEMBL	Best pChEMBL
IC50	7	4.55	4.84
Inhibition	6	-	-

Compounds Tested

Compound	Name	Phase	Activities	Best pChEMBL
CHEMBL227075	DIHYDROTANSHINONE I	—	2	4.84
CHEMBL2146517	METHYL TANSHINONATE	—	2	4.68
CHEMBL45830	MILTIRONE	—	2	4.68
CHEMBL215254	TANSHINONE IIB	—	2	4.61
CHEMBL363535	TANSHINONE I	—	2	4.41
CHEMBL187266	TANSHINONE IIA	—	2	4.05
CHEMBL187460	CRYPTOTANSHINONE	—	1	-

Activity Data

Compound	Name	Type	Rel.	Value	Units	pChEMBL
CHEMBL227075	DIHYDROTANSHINONE I	IC50	=	14400.0	nM	4.84
CHEMBL2146517	METHYL TANSHINONATE	IC50	=	21100.0	nM	4.68
CHEMBL45830	MILTIRONE	IC50	=	21100.0	nM	4.68
CHEMBL215254	TANSHINONE IIB	IC50	=	24800.0	nM	4.61
CHEMBL363535	TANSHINONE I	IC50	=	38700.0	nM	4.41
CHEMBL187266	TANSHINONE IIA	IC50	=	89100.0	nM	4.05
CHEMBL187460	CRYPTOTANSHINONE	IC50	=	226700.0	nM	-
CHEMBL187266	TANSHINONE IIA	Inhibition		-	%	-
CHEMBL215254	TANSHINONE IIB	Inhibition		-	%	-
CHEMBL2146517	METHYL TANSHINONATE	Inhibition		-	%	-
CHEMBL363535	TANSHINONE I	Inhibition		-	%	-
CHEMBL227075	DIHYDROTANSHINONE I	Inhibition		-	%	-
CHEMBL45830	MILTIRONE	Inhibition		-	%	-