HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：BindingDB 靶标：N/A

External ID: BindingDB_8918_1

Protocol: N/A

Comment: Compounds with any of Ki, IC50, Kd, or EC50 activity value <= 10uM are labeled as "Active".
If multiple measurements are available for a given compound, it is labeled as "Active" if any of the measurements meet the criterion. Activity values are checked in the order of Ki, IC50, Kd, and EC50. The first entry that meets the above activity threshold is used to determine "Standard Type", "Standard Relation", and "PubChem Standard Value". Otherwise, the first non-empty entry will be used to set those values.

Standard Type	Standard Relation	PubChem Standard Value	Ki	IC50 Qualifier	IC50	EC50	Target Accession(s)	Ligand	Target
IC50		13.2			13200		P0C6X1	BDBM11246	Replicase polyprotein 1ab
IC50		0.06			60		P0C6X7	BDBM11234	Replicase polyprotein 1ab
IC50	>	20		>	20000		P0C6X1	BDBM11243	Replicase polyprotein 1ab
Ki		0.52	520				P0C6X7	BDBM11261	Replicase polyprotein 1ab
EC50		0.18				180	P0C6X7	BDBM11261	Replicase polyprotein 1ab
IC50		0.3			300		P0C6X7	BDBM11292	Replicase polyprotein 1ab
EC50		0.014				14		BDBM13216	Orf1a protein
EC50		0.051				51	P0C6X7	BDBM13216	Replicase polyprotein 1ab
EC50		10				10000	P59594	BDBM13530	Spike glycoprotein
EC50		17.68				17680		BDBM13530	Orf1a protein
EC50		9.82				9820	P0C6X7	BDBM13530	Replicase polyprotein 1ab
EC50		10.11				10110		BDBM20607	Orf1a protein
EC50		92.88				92880	P0C6X7	BDBM20607	Replicase polyprotein 1ab
EC50		14.4				14400		BDBM22875	Orf1a protein
IC50		5.47			5470		Q9BYF1	BDBM22985	Angiotensin-converting enzyme 2
EC50		8.8				8800	Q9BYF1	BDBM22985	Angiotensin-converting enzyme 2
EC50		3				3000		BDBM22985	Orf1a protein
EC50		4.1				4100	P0C6X7	BDBM22985	Replicase polyprotein 1ab
EC50		3.3				3300	P0C6X1	BDBM22985	Replicase polyprotein 1ab
EC50		6.27				6270		BDBM22985	Orf1a protein

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Severe acute respiratory syndrome coronavirus 2

External ID: CHEMBL5258265

Protocol: N/A

Comment: Journal: J Nat Prod
Year: 2023
Volume: 86
Issue: 4
First Page: 672
Last Page: 682
DOI: 10.1021/acs.jnatprod.2c00580

Target ChEMBL ID: CHEMBL4303835
ChEMBL Target Name: SARS-CoV-2
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
100	IC50	>	100000	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：MT2

External ID: CHEMBL5369884

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2023
Volume: 66
Issue: 19
First Page: 13516
Last Page: 13529
DOI: 10.1021/acs.jmedchem.3c00777

Target ChEMBL ID: CHEMBL614184
ChEMBL Target Name: MT2
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Activity Comment
Activity	Toxic

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：MOLT-4

External ID: CHEMBL5369881

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2023
Volume: 66
Issue: 19
First Page: 13516
Last Page: 13529
DOI: 10.1021/acs.jmedchem.3c00777

Target ChEMBL ID: CHEMBL614177
ChEMBL Target Name: MOLT-4
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Activity Comment
Activity	Non-Toxic

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：PBMC

External ID: CHEMBL5369878

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2023
Volume: 66
Issue: 19
First Page: 13516
Last Page: 13529
DOI: 10.1021/acs.jmedchem.3c00777

Target ChEMBL ID: CHEMBL613107
ChEMBL Target Name: PBMC
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Activity Comment
Activity	Non-Toxic

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Human coronavirus OC43

External ID: CHEMBL5538667

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2024
Volume: 264
First Page: 115978
Last Page: 115978
DOI: 10.1016/j.ejmech.2023.115978

Target ChEMBL ID: CHEMBL5209665
ChEMBL Target Name: Human coronavirus OC43
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Activity Comment
Activity	Active

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Severe acute respiratory syndrome coronavirus 2

External ID: CHEMBL4651404

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL4303835
ChEMBL Target Name: SARS-CoV-2
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: IMI-CARE SARS-CoV-2 Data

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
2.95121	IC50		2951.21	nM	No. Measurements = 1
100	IC50	>	100000	nM	No. Measurements = 1
100	IC50	>	100000	nM	No. Measurements = 1
100	IC50	>	100000	nM	No. Measurements = 1
100	IC50	>	100000	nM	No. Measurements = 1
100	IC50	>	100000	nM	No. Measurements = 1
100	IC50	>	100000	nM	No. Measurements = 1
100	IC50	>	100000	nM	No. Measurements = 1
100	IC50	>	100000	nM	No. Measurements = 1
100	IC50	>	100000	nM	No. Measurements = 1
100	IC50	>	100000	nM	No. Measurements = 1
22.4	IC50	~	22400	nM	No. Measurements = 1
22.3872	IC50	~	22387.21	nM	No. Measurements = 1
100	IC50	>	100000	nM	No. Measurements = 1
100	IC50	>	100000	nM	No. Measurements = 1
9.46	IC50	~	9460	nM	No. Measurements = 17
9.54993	IC50	~	9549.93	nM	No. Measurements = 17
100	IC50	>	100000	nM	No. Measurements = 1
100	IC50	>	100000	nM	No. Measurements = 1
100	IC50	>	100000	nM	No. Measurements = 1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：NCGC 靶标：

External ID: APP-Toga-CHIKV-nsp2-p

Protocol: PROTOCOL TABLE (as described by Inglese J, Shamu CE and Guy RK. 2007)
SEQUENCE No. (e.g., 1, 2, 3, etc.); PARAMETER (e.g., Cells, Incubation, Reagent, etc.); VALUE; DESCRIPTION.
1; Control / Compound; 20 nL; Echo 655 acoustic dispenser, Greiner 1536-well solid bottom black plate.
2; Enzyme; 4 uL; BioRAPTR FRD liquid dispenser (Beckman Coulter).
3; Incubation; 15 min; room temperature.
4; Reagent; 4 uL; 2.5 uM Peptide 2 substrate.
5; Incubation; 1 hr; room temperature.
6; Detection; Fluorescence; WiewLux microplate reader (PerkinElmer), 525 nm excitation, 598/25 nm emission.

NOTES (numbers refer to sequence numbers above).
1. Briefly, 20 nL DMSO, positive control ZnAc (20nM final concentration), and test compounds were transferred into a 1,536-well solid bottom black plate (789176-F, Greiner One) via Echo 655 acoustic dispenser (Beckman Coulter). For primary screens, compounds were tested at 7 concentrations, 1:3 dilution points ranging from 25 uM to 34 nM. Follow-up confirmatory screens were carried out at 11 concentrations, 1:3 dilution points from 25 uM to 0.42 nM.
2. Four uL nsP2pro enzyme mix (150 nM final concentration) in 10 mM Tris-HCl pH 8.0 with 0.01% Tween 20 assay buffer was dispensed into the plate using a BioRAPTR FRD liquid dispenser (Beckman Coulter).
3. The plate was incubated at room temperature (protected from light) for 15 min
4. Four microliter of peptide 2 substrate (2.5 uM final concentration) in assay buffer was added to the plate.
5. After 1 hour, plates were immediately read on a ViewLux high-throughput CCD imager (Exposure = 10 sec, Gain = High, Speed = Slow, Binning = 2X). The above assay was also incorporated in the NCATS HTS facility41, which allowed for robotic liquid and compound dispensing, microplate handling, and fluorescence reading..

REFERENCE:
Inglese J, Shamu CE and Guy RK, Reporting data from high throughput screening of small molecule libraries, Nature Chemical Biology, 2007, 3(8): 438-441. doi.org/10.1038/nchembio0807-438.

Comment: Disclaimer:
Although all reasonable efforts have been made to ensure the accuracy and reliability of the data, caution should be exercised when interpreting the results as artifacts are possible from nonspecific effects such as assay signal interference. The curve fitting and activity calls presented here are based on the NCATS analysis methods [1].

Compound Ranking:
1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.
2. For all inactive compounds, with a ratio activity curve class of 4, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. For a ratio activity curve class = -1.1, score = 80+abs((log_ac50+4.5)*inf_activity/20). For ratio.curve_class == -1.2 && abs(ratio.max_response) > 6*10, score = 60+abs((log_ac50+4.5)*inf_activity/20). For ratio.curve_class == -2.1 || ( ratio.curve_class==-2.2 && abs(ratio.max_response) > 6*10), score = 40+abs((log_ac50+4.5)*inf_activity/20). For ratio.curve_class == -1.2 || ratio.curve_class == -2.2, score = 20+abs((log_ac50+4.5)*inf_activity/20). Inconclusive compounds, with a donor curve class other than 4, have PUBCHEM_ACTIVITY_SCORE of 10. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39.

Reference:
1. Inglese J, Auld DS, Jadhav A, et al. Quantitative high-throughput screening: a titration-based approach that efficiently identifies biological activities in large chemical libraries. Proc Natl Acad Sci U S A. 2006;103(31):11473-11478.

Phenotype	Fit_LogAC50	Fit_HillSlope	Fit_R2	Fit_InfiniteActivity	Fit_ZeroActivity	Fit_CurveClass	Excluded_Points	Max_Response	Activity at 0.0001439601 uM	Activity at 0.0003895389 uM	Activity at 0.00154 uM	Activity at 0.00290 uM	Activity at 0.00833 uM	Activity at 0.041 uM	Activity at 0.095 uM	Activity at 0.199 uM	Activity at 0.321 uM	Activity at 0.689 uM	Activity at 1.028 uM	Activity at 2.684 uM	Activity at 5.101 uM	Activity at 10.05 uM	Activity at 24.85 uM	Compound QC
Inactive				0	0	4		58.4116	43.5916	25.8843	33.4207	9.1109	21.6395	45.6886	10.8911		28.3955	31.3127		38.9914		41.6558	58.4116	QC'd by Sytravon
Inactive				0	0	4		-12.6805						-10.7548		-9.5107			-10.6418		-15.9997		-12.6805	QC'd by Sytravon
Inactive				0	0	4		-7.1462						-9.2235		-11.8601			-6.118		-12.2196		-7.1462	QC'd by Sytravon
Inactive	-4.75	4.9549	0.6661	-22.0013	-2	4	0 0 0 0 0	-18.751						-10.987		-0.9935			2.356		1.2583		-18.751	QC'd by Sytravon
Inactive				0	0	4		-11.1249						-10.2692		-11.5229			-11.032		-13.325		-11.1249	QC'd by Sytravon
Inactive	-4.8	1.8851	0.5555	-23.9168	-5.4088	4	0 0 0 0 0	-18.264						-13.0121		-2.8407			-6.6548		-7.1687		-18.264	QC'd by Sytravon
Inactive	-6.35	4.9549	0.9083	-3.1815	-14.9283	4	0 0 0 0 1	-10.2909						-13.1276		-17.0236			-1.4012		-4.6174		-10.2909	QC'd by Sytravon
Inactive	-5.95	0.4	0.9812	-20.7272	-0.9942	4	0 0 0 0 0	-16.0227						-4.9952		-8.1266			-9.7286		-14.3153		-16.0227	QC'd by Sytravon
Inactive	-6.5	4.9549	0.6409	-9.2158	-16.6011	4	0 0 0 0 1	-12.7654						-16.3342		-16.1896			-6.0131		-13.084		-12.7654	QC'd by Sytravon
Inactive				0	0	4		1.975						2.6103		3.4198			-3.4748		1.7624		1.975	QC'd by Sytravon
Inactive				0	0	4		-8.2223						-0.1456		-4.3339			-1.582		-3.6253		-8.2223	QC'd by Sytravon
Inactive	-7.25	4.9549	0.602	-10.0715	2	4	0 0 0 0 0	-12.6011						0.2325		-14.2262			-4.5441		-8.7364		-12.6011	QC'd by Sytravon
Inactive	-4.75	4.5045	0.9809	-24.6554	-10.8442	4	0 0 0 0 0	-22.2129						-9.8702		-10.3098			-11.7375		-10.6121		-22.2129	QC'd by Sytravon
Inactive	-4.75	4.9549	0.8409	-13.5514	2	4	0 0 0 0 0	-11.2928						-1.9276		4.6106			1.3336		4.0275		-11.2928	QC'd by Sytravon
Inactive	-5.2	0.5	0.9077	-28.8252	-9.4452	4	0 0 0 0 0	-23.1876						-10.7877		-12.0613			-16.7104		-16.3414		-23.1876	QC'd by Sytravon
Inactive				0	0	4		-18.3436						-16.2788		-21.7212			-19.8613		-16.6894		-18.3436	QC'd by Sytravon
Inactive				0	0	4		-5.4025						-9.518		-0.1694			0.2848		-4.8162		-5.4025	QC'd by Sytravon
Inactive				0	0	4		-23.1229						-14.0834		-13.5556			-16.7644		-18.8145		-23.1229	QC'd by Sytravon
Inactive	-4.95	3.2975	0.9426	-35.5663	-15.2262	4	0 0 0 0 0	-34.2687						-12.6885		-18.3414			-14.0693		-16.4909		-34.2687	QC'd by Sytravon
Inactive	-4.75	4.9549	0.7952	-15.6253	-4.8932	4	0 0 0 0 0	-13.8544						-4.3645		-8.5252			-3.661		-3.9903		-13.8544	QC'd by Sytravon

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：dengue virus type 2

External ID: CHEMBL5254964

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg Med Chem Lett
Year: 2023
Volume: 83
First Page: 129174
Last Page: 129174
DOI: 10.1016/j.bmcl.2023.129174

Target ChEMBL ID: CHEMBL613966
ChEMBL Target Name: dengue virus type 2
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
2.84	EC50	=	2840	nM
	EC50				Not Determined
23.38	EC50	=	23380	nM
100	EC50	=	100000	nM
100	EC50	=	100000	nM
100	EC50	=	100000	nM

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Influenza B virus

External ID: CHEMBL5254963

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg Med Chem Lett
Year: 2023
Volume: 83
First Page: 129174
Last Page: 129174
DOI: 10.1016/j.bmcl.2023.129174

Target ChEMBL ID: CHEMBL613129
ChEMBL Target Name: Influenza B virus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
1.2	EC50	<	1200	nM
	EC50				Not Determined
23.8	EC50	=	23800	nM
100	EC50	>	100000	nM
100	EC50	>	100000	nM
100	EC50	>	100000	nM

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Murine hepatitis virus

External ID: CHEMBL5608266

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg Med Chem Lett
Year: 2024
Volume: 99
First Page: 129617
Last Page: 129617
DOI: 10.1016/j.bmcl.2024.129617

Target ChEMBL ID: CHEMBL613733
ChEMBL Target Name: Murine hepatitis virus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
6.3	IC50	=	6300	nM

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：BHK-21

External ID: CHEMBL5254965

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg Med Chem Lett
Year: 2023
Volume: 83
First Page: 129174
Last Page: 129174
DOI: 10.1016/j.bmcl.2023.129174

Target ChEMBL ID: CHEMBL614527
ChEMBL Target Name: BHK-21
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
5.75	CC50	=	5750	nM
	CC50				Not Determined
42.25	CC50	=	42250	nM
100	CC50	=	100000	nM
100	CC50	=	100000	nM
100	CC50	=	100000	nM

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Influenza A virus

External ID: CHEMBL5254960

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg Med Chem Lett
Year: 2023
Volume: 83
First Page: 129174
Last Page: 129174
DOI: 10.1016/j.bmcl.2023.129174

Target ChEMBL ID: CHEMBL613740
ChEMBL Target Name: Influenza A virus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
1.7	EC50	=	1700	nM
	EC50				Not Determined
6.6	EC50	=	6600	nM
100	EC50	>	100000	nM
100	EC50	>	100000	nM
100	EC50	>	100000	nM

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Severe acute respiratory syndrome coronavirus 2

External ID: CHEMBL5254959

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg Med Chem Lett
Year: 2023
Volume: 83
First Page: 129174
Last Page: 129174
DOI: 10.1016/j.bmcl.2023.129174

Target ChEMBL ID: CHEMBL4303835
ChEMBL Target Name: SARS-CoV-2
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
16.5	EC50	>	16500	nM
11.1	EC50	=	11100	nM
11.8	EC50	=	11800	nM
100	EC50	>	100000	nM
100	EC50	>	100000	nM
100	EC50	>	100000	nM

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Influenza A virus

External ID: CHEMBL5254962

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg Med Chem Lett
Year: 2023
Volume: 83
First Page: 129174
Last Page: 129174
DOI: 10.1016/j.bmcl.2023.129174

Target ChEMBL ID: CHEMBL613740
ChEMBL Target Name: Influenza A virus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
2.3	EC50	=	2300	nM
	EC50				Not Determined
6	EC50	=	6000	nM
100	EC50	>	100000	nM
100	EC50	>	100000	nM
100	EC50	>	100000	nM

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：MDCK

External ID: CHEMBL5254961

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2023
Volume: 83
First Page: 129174
Last Page: 129174
DOI: 10.1016/j.bmcl.2023.129174

Target ChEMBL ID: CHEMBL614068
ChEMBL Target Name: MDCK
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
100	CC50	>	100000	nM
	CC50				Not Determined
100	CC50	>	100000	nM
100	CC50	>	100000	nM
100	CC50	>	100000	nM
100	CC50	>	100000	nM

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Vero

External ID: CHEMBL5254958

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2023
Volume: 83
First Page: 129174
Last Page: 129174
DOI: 10.1016/j.bmcl.2023.129174

Target ChEMBL ID: CHEMBL391
ChEMBL Target Name: Vero
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
16.5	CC50	=	16500	nM
100	CC50	>	100000	nM
100	CC50	>	100000	nM
100	CC50	>	100000	nM
100	CC50	>	100000	nM
100	CC50	>	100000	nM

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：N/A

External ID: CHEMBL5538648

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2024
Volume: 264
First Page: 115978
Last Page: 115978
DOI: 10.1016/j.ejmech.2023.115978

Standard Type	Standard Relation	Standard Value
Ratio CC50/EC50	=	101.7

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：NCI-H460

External ID: CHEMBL5538647

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Eur J Med Chem
Year: 2024
Volume: 264
First Page: 115978
Last Page: 115978
DOI: 10.1016/j.ejmech.2023.115978

Target ChEMBL ID: CHEMBL396
ChEMBL Target Name: NCI-H460
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
19.21	CC50	=	19210	nM

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Human coronavirus OC43

External ID: CHEMBL5538646

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Eur J Med Chem
Year: 2024
Volume: 264
First Page: 115978
Last Page: 115978
DOI: 10.1016/j.ejmech.2023.115978

Target ChEMBL ID: CHEMBL5209665
ChEMBL Target Name: Human coronavirus OC43
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
2.97	EC50	=	2970	nM

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Severe acute respiratory syndrome coronavirus 2

External ID: CHEMBL5384826

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2023
Volume: 66
Issue: 8
First Page: 5802
Last Page: 5819
DOI: 10.1021/acs.jmedchem.3c00046

Target ChEMBL ID: CHEMBL4303835
ChEMBL Target Name: SARS-CoV-2
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
log(activity)	=	2.9

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Severe acute respiratory syndrome coronavirus 2

External ID: CHEMBL5384827

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2023
Volume: 66
Issue: 8
First Page: 5802
Last Page: 5819
DOI: 10.1021/acs.jmedchem.3c00046

Target ChEMBL ID: CHEMBL4303835
ChEMBL Target Name: SARS-CoV-2
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
log(activity)	=	2.6
log(activity)	>	2.9

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Severe acute respiratory syndrome coronavirus 2

External ID: CHEMBL5384825

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2023
Volume: 66
Issue: 8
First Page: 5802
Last Page: 5819
DOI: 10.1021/acs.jmedchem.3c00046

Target ChEMBL ID: CHEMBL4303835
ChEMBL Target Name: SARS-CoV-2
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
log(activity)	=	2.1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Severe acute respiratory syndrome coronavirus 2

External ID: CHEMBL5578452

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2024
Volume: 67
Issue: 16
First Page: 13681
Last Page: 13702
DOI: 10.1021/acs.jmedchem.4c00378

Target ChEMBL ID: CHEMBL4303835
ChEMBL Target Name: SARS-CoV-2
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Activity Comment
Activity	Active

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Severe acute respiratory syndrome coronavirus 2

External ID: CHEMBL5543918

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Eur J Med Chem
Year: 2024
Volume: 266
First Page: 116128
Last Page: 116128
DOI: 10.1016/j.ejmech.2024.116128

Target ChEMBL ID: CHEMBL4303835
ChEMBL Target Name: SARS-CoV-2
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
100	EC50	>	100000	nM
0.09	EC50	=	90	nM
0.16	EC50	=	160	nM
10.33	EC50	=	10330	nM

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Severe acute respiratory syndrome coronavirus 2

External ID: CHEMBL5543919

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Eur J Med Chem
Year: 2024
Volume: 266
First Page: 116128
Last Page: 116128
DOI: 10.1016/j.ejmech.2024.116128

Target ChEMBL ID: CHEMBL4303835
ChEMBL Target Name: SARS-CoV-2
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
100	EC50	>	100000	nM
0.68	EC50	=	680	nM
0.3	EC50	=	300	nM
10.72	EC50	=	10720	nM

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Severe acute respiratory syndrome coronavirus 2

External ID: CHEMBL5543920

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Eur J Med Chem
Year: 2024
Volume: 266
First Page: 116128
Last Page: 116128
DOI: 10.1016/j.ejmech.2024.116128

Target ChEMBL ID: CHEMBL4303835
ChEMBL Target Name: SARS-CoV-2
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
100	EC50	>	100000	nM
0.07	EC50	=	70	nM
0.07	EC50	=	70	nM
5.9	EC50	=	5900	nM

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Severe acute respiratory syndrome coronavirus 2

External ID: CHEMBL5543921

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Eur J Med Chem
Year: 2024
Volume: 266
First Page: 116128
Last Page: 116128
DOI: 10.1016/j.ejmech.2024.116128

Target ChEMBL ID: CHEMBL4303835
ChEMBL Target Name: SARS-CoV-2
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
100	EC50	>	100000	nM
1.3	EC50	=	1300	nM
0.54	EC50	=	540	nM
29.25	EC50	=	29250	nM

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Severe acute respiratory syndrome coronavirus 2

External ID: CHEMBL5543922

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Eur J Med Chem
Year: 2024
Volume: 266
First Page: 116128
Last Page: 116128
DOI: 10.1016/j.ejmech.2024.116128

Target ChEMBL ID: CHEMBL4303835
ChEMBL Target Name: SARS-CoV-2
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
100	EC50	>	100000	nM
1.34	EC50	=	1340	nM
0.81	EC50	=	810	nM
13.5	EC50	=	13500	nM

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Vero

External ID: CHEMBL5543923

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2024
Volume: 266
First Page: 116128
Last Page: 116128
DOI: 10.1016/j.ejmech.2024.116128

Target ChEMBL ID: CHEMBL391
ChEMBL Target Name: Vero
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
100	MCC	>	100000	nM
100	MCC	>	100000	nM
100	MCC	>	100000	nM
100	MCC	>	100000	nM

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Vero

External ID: CHEMBL5543924

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2024
Volume: 266
First Page: 116128
Last Page: 116128
DOI: 10.1016/j.ejmech.2024.116128

Target ChEMBL ID: CHEMBL391
ChEMBL Target Name: Vero
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
50	CC50	>	50000	nM
11.92	CC50	=	11920	nM
50	CC50	>	50000	nM
50	CC50	>	50000	nM

2492423-30-8 靶点实验数据