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

来源：ChEMBL 靶标：Adenosine receptor A2a

External ID: CHEMBL647731

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: J. Med. Chem.
Year: 1995
Volume: 38
Issue: 7
First Page: 1174
Last Page: 1188
DOI: 10.1021/jm00007a014

Target ChEMBL ID: CHEMBL302
ChEMBL Target Name: Adenosine A2a receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.056	Ki	=	56	nM
0.692	Ki	=	692	nM
0.596	Ki	=	596	nM
59.8	Ki	=	59800	nM
0.285	Ki	=	285	nM
7.34	Ki	=	7340	nM
0.129	Ki	=	129	nM
5	Ki	=	5000	nM
0.028	Ki	=	28	nM
24.1	Ki	=	24100	nM
0.0103	Ki	=	10.3	nM
20.4	Ki	=	20400	nM
22.7	Ki	=	22700	nM
8.54	Ki	=	8540	nM
0.0198	Ki	=	19.8	nM
7.12	Ki	=	7120	nM
10	Ki	=	10000	nM
0.293	Ki	=	293	nM
20.8	Ki	=	20800	nM
6.22	Ki	=	6220	nM

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

来源：ChEMBL 靶标：EL4

External ID: CHEMBL672319

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1986
Volume: 29
Issue: 1
First Page: 138
Last Page: 143
DOI: 10.1021/jm00151a022

Target ChEMBL ID: CHEMBL614293
ChEMBL Target Name: EL4
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	Standard Relation	Standard Value	Standard Units
Inhibition	<	5	%
Inhibition	<	5	%
Inhibition	<	5	%
Inhibition	<	5	%
Inhibition	<	5	%
Inhibition	<	5	%
Inhibition	<	5	%
Inhibition	<	5	%
Inhibition	=	5	%
Inhibition	=	25	%
Inhibition	=	80	%
Inhibition	=	89	%

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

来源：ChEMBL 靶标：Coxsackievirus B4

External ID: CHEMBL822886

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1992
Volume: 35
Issue: 24
First Page: 4576
Last Page: 4583
DOI: 10.1021/jm00102a010

Target ChEMBL ID: CHEMBL612320
ChEMBL Target Name: Coxsackievirus B4
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	Standard Units
MIC	=	0.2	ug.mL-1
MIC	>	100	ug.mL-1
MIC	>	200	ug.mL-1
MIC	>	400	ug.mL-1
MIC	>	400	ug.mL-1
MIC	=	40	ug.mL-1
MIC	>	200	ug.mL-1
MIC	>	400	ug.mL-1

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

来源：ChEMBL 靶标：Coxsackievirus B4

External ID: CHEMBL822885

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1992
Volume: 35
Issue: 24
First Page: 4576
Last Page: 4583
DOI: 10.1021/jm00102a010

Target ChEMBL ID: CHEMBL612320
ChEMBL Target Name: Coxsackievirus B4
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	Standard Units
MIC	=	0.07	ug.mL-1
MIC	>	100	ug.mL-1
MIC	>	100	ug.mL-1
MIC	>	200	ug.mL-1
MIC	>	70	ug.mL-1
MIC	>	70	ug.mL-1
MIC	>	200	ug.mL-1
MIC	>	200	ug.mL-1

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: CHEMBL1266185

Protocol: N/A

Comment: Journal: Nat Chem Biol
Year: 2007
Volume: 3
Issue: 5
First Page: 268
Last Page: 273
DOI: 10.1038/nchembio873

Standard Type	Standard Units	Activity Comment
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active

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

来源：ChEMBL 靶标：Mammalian orthoreovirus 1

External ID: CHEMBL799917

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1984
Volume: 27
Issue: 7
First Page: 924
Last Page: 928
DOI: 10.1021/jm00373a020

Target ChEMBL ID: CHEMBL612927
ChEMBL Target Name: Mammalian orthoreovirus 1
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	Standard Units
MIC	=	4	ug.mL-1
MIC	>=	40	ug.mL-1
MIC	=	100	ug.mL-1

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: CHEMBL760555

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 1998
Volume: 8
Issue: 18
First Page: 2533
Last Page: 2538
DOI: 10.1016/s0960-894x(98)00452-1

Standard Type	Standard Relation	Standard Value	Standard Units
No. of cells	=	91.9	%
No. of cells	=	11	%
No. of cells	=	10.7	%
No. of cells	=	10.7	%
No. of cells	=	94.7	%
No. of cells	=	8.7	%
No. of cells	=	24.7	%
No. of cells	=	38.8	%
No. of cells	=	10.6	%
No. of cells	=	10.6	%

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: CHEMBL815232

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 1994
Volume: 4
Issue: 16
First Page: 1937
Last Page: 1940
DOI: 10.1016/S0960-894X(01)80538-2

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

Standard Type	Standard Relation	Standard Value	Standard Units
MCC	>	400	ug.mL-1
MCC	>	400	ug.mL-1
MCC	>	400	ug.mL-1
MCC	>	400	ug.mL-1

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: CHEMBL857007

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 1994
Volume: 4
Issue: 16
First Page: 1937
Last Page: 1940
DOI: 10.1016/S0960-894X(01)80538-2

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

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	>	400	ug.mL-1
MIC	>	400	ug.mL-1
MIC	>	400	ug.mL-1
MIC	=	300	ug.mL-1

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: CHEMBL816980

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 1994
Volume: 4
Issue: 16
First Page: 1937
Last Page: 1940
DOI: 10.1016/S0960-894X(01)80538-2

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

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	>	400	ug.mL-1
MIC	=	4	ug.mL-1
MIC	>	400	ug.mL-1
MIC	=	70	ug.mL-1

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: CHEMBL816979

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 1994
Volume: 4
Issue: 16
First Page: 1937
Last Page: 1940
DOI: 10.1016/S0960-894X(01)80538-2

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

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	>	400	ug.mL-1
MIC	>	400	ug.mL-1
MIC	>	400	ug.mL-1
MIC	=	70	ug.mL-1

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

来源：ChEMBL 靶标：Adenosine receptor A1

External ID: CHEMBL875796

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: J. Med. Chem.
Year: 1995
Volume: 38
Issue: 7
First Page: 1174
Last Page: 1188
DOI: 10.1021/jm00007a014

Target ChEMBL ID: CHEMBL318
ChEMBL Target Name: Adenosine A1 receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
0.946	Ki	=	946	nM
7.99	Ki	=	7990	nM
0.054	Ki	=	54	nM
33	Ki	=	33000	nM
0.269	Ki	=	269	nM
21.5	Ki	=	21500	nM
0.12	Ki	=	120	nM
29.7	Ki	=	29700	nM
0.236	Ki	=	236	nM
1.03	Ki	=	1030	nM
0.0059	Ki	=	5.9	nM
0.063	Ki	=	63	nM
7.32	Ki	=	7320	nM
51	Ki	=	51000	nM
180	Ki	=	180000	nM	Outside typical range
0.3	Ki	=	300	nM
5.36	Ki	=	5360	nM
9.4	Ki	=	9400	nM
0.042	Ki	=	42	nM
0.226	Ki	=	226	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: CHEMBL816978

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 1994
Volume: 4
Issue: 16
First Page: 1937
Last Page: 1940
DOI: 10.1016/S0960-894X(01)80538-2

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

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	>	400	ug.mL-1
MIC	=	2	ug.mL-1
MIC	=	40	ug.mL-1
MIC	=	100	ug.mL-1

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

来源：ChEMBL 靶标：Vaccinia virus

External ID: CHEMBL823680

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1984
Volume: 27
Issue: 7
First Page: 924
Last Page: 928
DOI: 10.1021/jm00373a020

Target ChEMBL ID: CHEMBL613493
ChEMBL Target Name: Vaccinia virus
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	Standard Units
MIC	=	7	ug.mL-1
MIC	=	4	ug.mL-1
MIC	=	20	ug.mL-1

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: CHEMBL816977

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 1994
Volume: 4
Issue: 16
First Page: 1937
Last Page: 1940
DOI: 10.1016/S0960-894X(01)80538-2

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

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	>	400	ug.mL-1
MIC	=	0.7	ug.mL-1
MIC	=	20	ug.mL-1
MIC	=	70	ug.mL-1

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

来源：ChEMBL 靶标：A549

External ID: CHEMBL5117862

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2022
Volume: 72
First Page: 128880
Last Page: 128880
DOI: 10.1016/j.bmcl.2022.128880

Target ChEMBL ID: CHEMBL392
ChEMBL Target Name: A549
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	IC50	>	100000	nM
48.61	IC50	=	48610	nM

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

来源：ChEMBL 靶标：HeLa

External ID: CHEMBL5117863

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2022
Volume: 72
First Page: 128880
Last Page: 128880
DOI: 10.1016/j.bmcl.2022.128880

Target ChEMBL ID: CHEMBL399
ChEMBL Target Name: HeLa
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	IC50	>	100000	nM
50.54	IC50	=	50540	nM

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

来源：ChEMBL 靶标：MGC-803

External ID: CHEMBL5117864

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2022
Volume: 72
First Page: 128880
Last Page: 128880
DOI: 10.1016/j.bmcl.2022.128880

Target ChEMBL ID: CHEMBL3706566
ChEMBL Target Name: MGC-803
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	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：L02

External ID: CHEMBL5117865

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2022
Volume: 72
First Page: 128880
Last Page: 128880
DOI: 10.1016/j.bmcl.2022.128880

Target ChEMBL ID: CHEMBL4296457
ChEMBL Target Name: L02
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	IC50	>	100000	nM
76.73	IC50	=	76730	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 respirovirus 3

External ID: CHEMBL858507

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1992
Volume: 35
Issue: 24
First Page: 4576
Last Page: 4583
DOI: 10.1021/jm00102a010

Target ChEMBL ID: CHEMBL613126
ChEMBL Target Name: Human respirovirus 3
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	Standard Units
MIC	=	0.02	ug.mL-1
MIC	>	100	ug.mL-1
MIC	>	100	ug.mL-1
MIC	=	0.4	ug.mL-1
MIC	=	10	ug.mL-1
MIC	=	70	ug.mL-1
MIC	>	200	ug.mL-1
MIC	=	300	ug.mL-1

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

来源：ChEMBL 靶标：Adenosylhomocysteinase

External ID: CHEMBL5117858

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2022
Volume: 72
First Page: 128880
Last Page: 128880
DOI: 10.1016/j.bmcl.2022.128880

Target ChEMBL ID: CHEMBL2664
ChEMBL Target Name: Adenosylhomocysteinase
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	=	92.1	%

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

来源：ChEMBL 靶标：Adenosylhomocysteinase

External ID: CHEMBL5117859

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2022
Volume: 72
First Page: 128880
Last Page: 128880
DOI: 10.1016/j.bmcl.2022.128880

Target ChEMBL ID: CHEMBL2664
ChEMBL Target Name: Adenosylhomocysteinase
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	=	64.59	%

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

来源：ChEMBL 靶标：Adenosylhomocysteinase

External ID: CHEMBL5117860

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: 2022
Volume: 72
First Page: 128880
Last Page: 128880
DOI: 10.1016/j.bmcl.2022.128880

Target ChEMBL ID: CHEMBL2664
ChEMBL Target Name: Adenosylhomocysteinase
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
3.78	IC50	=	3780	nM

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

来源：ChEMBL 靶标：MCF7

External ID: CHEMBL5117861

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2022
Volume: 72
First Page: 128880
Last Page: 128880
DOI: 10.1016/j.bmcl.2022.128880

Target ChEMBL ID: CHEMBL387
ChEMBL Target Name: MCF7
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	IC50	>	100000	nM
74.99	IC50	=	74990	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: CHEMBL676344

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1994
Volume: 37
Issue: 9
First Page: 1307
Last Page: 1311
DOI: 10.1021/jm00035a010

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	20	ug.mL-1
MIC	>	200	ug.mL-1
MIC	=	0.07	ug.mL-1
MIC	>	400	ug.mL-1
MIC	>	400	ug.mL-1
MIC	>	4	ug.mL-1
MIC	>	200	ug.mL-1

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: CHEMBL676343

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1994
Volume: 37
Issue: 9
First Page: 1307
Last Page: 1311
DOI: 10.1021/jm00035a010

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	0.02	ug.mL-1
MIC	>	200	ug.mL-1
MIC	=	0.07	ug.mL-1
MIC	>	300	ug.mL-1
MIC	>	400	ug.mL-1
MIC	>	4	ug.mL-1
MIC	=	300	ug.mL-1

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

来源：ChEMBL 靶标：Human alphaherpesvirus 2

External ID: CHEMBL690775

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1992
Volume: 35
Issue: 24
First Page: 4576
Last Page: 4583
DOI: 10.1021/jm00102a010

Target ChEMBL ID: CHEMBL370
ChEMBL Target Name: Human alphaherpesvirus 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	Standard Units
MIC	=	0.2	ug.mL-1
MIC	>	40	ug.mL-1
MIC	>	100	ug.mL-1
MIC	=	100	ug.mL-1
MIC	>	400	ug.mL-1
MIC	>	400	ug.mL-1
MIC	=	100	ug.mL-1
MIC	>	400	ug.mL-1

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

来源：ChEMBL 靶标：Vaccinia virus

External ID: CHEMBL676345

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1994
Volume: 37
Issue: 9
First Page: 1307
Last Page: 1311
DOI: 10.1021/jm00035a010

Target ChEMBL ID: CHEMBL613493
ChEMBL Target Name: Vaccinia virus
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	Standard Units
MIC	=	2	ug.mL-1
MIC	=	4	ug.mL-1
MIC	>	400	ug.mL-1
MIC	=	70	ug.mL-1
MIC	>	400	ug.mL-1
MIC	>	4	ug.mL-1
MIC	>	400	ug.mL-1

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

来源：ChEMBL 靶标：Human alphaherpesvirus 1

External ID: CHEMBL878409

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1994
Volume: 37
Issue: 9
First Page: 1307
Last Page: 1311
DOI: 10.1021/jm00035a010

Target ChEMBL ID: CHEMBL377
ChEMBL Target Name: Human alphaherpesvirus 1
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	Standard Units
MIC	>	200	ug.mL-1
MIC	>	200	ug.mL-1
MIC	=	100	ug.mL-1
MIC	>	300	ug.mL-1
MIC	>	400	ug.mL-1
MIC	>	4	ug.mL-1
MIC	=	300	ug.mL-1

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

来源：ChEMBL 靶标：ESM

External ID: CHEMBL673865

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1994
Volume: 37
Issue: 9
First Page: 1307
Last Page: 1311
DOI: 10.1021/jm00035a010

Target ChEMBL ID: CHEMBL614492
ChEMBL Target Name: ESM
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	Standard Relation	Standard Value	Standard Units
MIC	>	400	ug.mL-1
MIC	>	200	ug.mL-1
MIC	>	400	ug.mL-1
MIC	>	400	ug.mL-1
MIC	>	400	ug.mL-1
MIC	=	10	ug.mL-1
MIC	>	400	ug.mL-1

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

来源：ChEMBL 靶标：Vesicular stomatitis virus

External ID: CHEMBL676346

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1994
Volume: 37
Issue: 9
First Page: 1307
Last Page: 1311
DOI: 10.1021/jm00035a010

Target ChEMBL ID: CHEMBL613739
ChEMBL Target Name: Vesicular stomatitis virus
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	Standard Units
MIC	>	400	ug.mL-1
MIC	=	10	ug.mL-1
MIC	>	400	ug.mL-1
MIC	>	400	ug.mL-1
MIC	>	400	ug.mL-1
MIC	>	4	ug.mL-1
MIC	>	400	ug.mL-1

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

来源：ChEMBL 靶标：Vaccinia virus

External ID: CHEMBL847551

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1992
Volume: 35
Issue: 24
First Page: 4576
Last Page: 4583
DOI: 10.1021/jm00102a010

Target ChEMBL ID: CHEMBL613493
ChEMBL Target Name: Vaccinia virus
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	Standard Units
MIC	>	0.1	ug.mL-1
MIC	>	100	ug.mL-1
MIC	>	100	ug.mL-1
MIC	=	1	ug.mL-1
MIC	=	40	ug.mL-1
MIC	=	30	ug.mL-1
MIC	=	150	ug.mL-1
MIC	>	400	ug.mL-1

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

来源：ChEMBL 靶标：Nucleic Acid

External ID: CHEMBL814092

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1986
Volume: 29
Issue: 1
First Page: 138
Last Page: 143
DOI: 10.1021/jm00151a022

Target ChEMBL ID: CHEMBL345
ChEMBL Target Name: Nucleic Acid
ChEMBL Target Type: NUCLEIC-ACID - Target is DNA, RNA or PNA
Relationship Type: M - Molecular target other than protein assigned
Confidence: Target assigned is molecular non-protein target

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	=	3	%
Inhibition	=	4	%
Inhibition	=	20	%
Inhibition	=	18	%
Inhibition	=	60	%
Inhibition	=	6	%
Inhibition	=	26	%
Inhibition	=	0	%
Inhibition	=	3	%
Inhibition	=	8	%
Inhibition	=	56	%
Inhibition	=	18	%

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

来源：ChEMBL 靶标：Sindbis virus

External ID: CHEMBL808728

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1984
Volume: 27
Issue: 7
First Page: 924
Last Page: 928
DOI: 10.1021/jm00373a020

Target ChEMBL ID: CHEMBL613725
ChEMBL Target Name: Sindbis virus
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	Standard Units
MIC	=	40	ug.mL-1
MIC	>=	40	ug.mL-1
MIC	=	40	ug.mL-1

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

来源：NCGC 靶标：N/A

External ID: adst_HEK293_Anti-infectives-02

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., C. elegans, Compounds, Incubation, Read, etc.); VALUE and DESCRIPTION.
1. Compounds. Library compounds and digitonin control added at 25 nL per well to 7 assay ready 1536-well Greiner white/solid bottom high base, TC plates and two DMSO control plates, transferred by Echo acoustic dispenser.
2. Cells. Seed 1500 HEK293 per well in 6 uL into assay ready Greiner 1536-well plates.
3. Incubation. Incubate plated cells with compounds at 37C in 5% CO2, 95% RH for 24 hr.
4. Reagent. Add 4 uL of CellTiter-Glo reagent from Promega per well of Greiner 1536-well plates with BioRAPTR FRD.
5. Incubation. Incubate treated cells at room temperature for 10 min., protect from light.
6. Detector. CellTiter-Glo luminescence measured using CCD-based camera (Viewlux) with settings as follows: Exposure, 1 sec; Gain, High; Speed, Slow; Binning, 2X.

NOTES (numbers refer to Sequence numbers above; values are from representative experiments)
1. NIH Anti-Infectives library pre-dispensed into 7 assay ready 1536-well Greiner white/solid bottom high base, TC plates with Echo 555 acoustic dispenser. Most compounds dispensed at 10 mM high concentration and plated in 7-pt 1:5 inter-plate titration at 25 nl / well for a final assay concentration range of 41.7 uM - 2.7 nM. Two 1536-well Greiner assay plates of DMSO plated as screening controls to be read at the beginning and the end of the screen. Controls included DMSO vehicle control added at 25 nl/well to each well of column 1 and 2, 20 mM high concentration digitonin added at 25 nl/well to each well of column 2 (83.3 uM final assay concentration), and Digitonin titrated 1:2 at 25 nl/ well to column 4 in duplicate for a final assay concentration range of 83.3 uM - 2.5 nM.
2. HEK293 cells grown for 48 hr in one T175 culture flask in DMEM high glucose media supplemented with 10% FBS and 1% Pen/Strep antibiotic. Cells trypsinized and diluted in 10 ml supplemented media, strained through 40 m cell strainer, and diluted to a total volume of 40 ml with supplemented media. Cells counted with Invitrogen Countess, diluted to 25,000,000 cells per 100 ml media, and plated at 1,500 cells per well in 6 uL into assay ready Greiner well plates.
3. Cells incubated with compounds for 24 hr at 37C in 5% CO2, 95% RH.
4. CellTiter-Glo reagent (Promega) prepared in 100 ml reagent buffer and filtered through 0.2 m vacuum filter. Reagent added at 4 uL per well across nine 1536-well assay plates with BioRAPTR FRD.
5. CellTiter-Glo reagent incubated with cells for 10 min at ambient temperature, protected from light for cell lysis.
6. CellTiter-Glo luminescence measured using Viewlux (Perkin Elmer) CCD-based camera with the "luminescence" protocol with the settings clear filter, generic 1536-well plate format, 1 sec exposure, high gain, slow speed and 2x binning.

REFERENCES:
1. 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
2. Yasgar A, Shinn P, Jadhav A, Auld DS, Michael S, Zheng W, Austin CP, Inglese J and Simeonov A, Compound Management for Quantitative High-Throughput Screening. J. Assoc. Lab. Auto., 2008, 13: 79-89. doi: 10.1016/j.jala.2007.12.004

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 cytotoxic compounds are ranked higher than compounds that showed no activity.
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, Johnson RL, Simeonov A, Yasgar A, Zheng W, Austin CP. 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 Aug 1;103(31):11473-8. doi: 10.1073/pnas.0604348103. Epub 2006 Jul 24. PMID: 16864780; PMCID: PMC1518803.

Phenotype	Potency	Efficacy	Activity_Score	Curve_Description	Fit_LogAC50	Fit_HillSlope	Fit_R2	Fit_InfiniteActivity	Fit_ZeroActivity	Fit_CurveClass	Excluded_Points	Max_Response	Activity at 0.013 uM	Activity at 0.025 uM	Activity at 0.067 uM	Activity at 0.144 uM	Activity at 0.334 uM	Activity at 0.740 uM	Activity at 1.674 uM	Activity at 3.714 uM	Activity at 8.350 uM	Activity at 18.23 uM	Activity at 41.77 uM	Activity at 83.30 uM	Compound QC
Cytotoxic	1.9953	113.031	87	Complete curve; high efficacy	-5.7	1.8851	0.9981	-110.031	3	-1.1	0 0 0 0 0 0	-107.2427	2.2689		1.0042		0.9209		-42.0576		-106.1252		-107.2427		QC'd by SigmaAldrich
Cytotoxic	1.7783	125.1696	87	Complete curve; high efficacy	-5.75	0.9	0.9929	-113.1696	12	-1.1	0 0 0 0 0 0	-103.0689	13.2856		5.2462		-14.1694		-43.8322		-94.0024		-103.0689		QC'd by MedChem Express
Cytotoxic	2.8184	94.2796	85	Complete curve; high efficacy	-5.55	2.7868	0.9899	-94.2796	0	-1.1	0 0 0 0 0 0	-92.9779	-7.4665		6.8679		0.5084		-17.9552		-91.153		-92.9779		QC'd by ActiveBioChem
Cytotoxic	3.9811	104.7007	85	Complete curve; high efficacy	-5.4	1.9282	0.9876	-108.7007	-4	-1.1	0 0 0 0 0 0	-107.1999	-9.8111		5.3105		-9.0013		-19.8039		-88.8531		-107.1999		QC'd by Cayman
Cytotoxic	3.9811	104.8133	84	Complete curve; high efficacy	-5.4	4.9549	0.9975	-97.8133	7	-1.1	0 0 0 0 0 0	-96.4628	2.9746		5.5778		9.9604		7.9067		-96.3048		-96.4628		QC'd by Chemdiv
Cytotoxic	7.9433	93.6312	43	Partial curve; high efficacy	-5.1	1.8265	0.988	-88.1312	5.5	-2.1	0 0 0 0 0 0	-81.16	7.4036		-1.971		8.1518		2.5441		-43.3262		-81.16		QC'd by Tocris
Cytotoxic	11.2202	110.4684	43	Partial curve; high efficacy	-4.95	4.095	0.985	-119.5007	-9.0324	-2.1	0 0 0 0 0 0	-118.5523	-10.5119		-11.9311		-4.1937		-19.0163		-36.8591		-118.5523		QC'd by Selleck
Cytotoxic	3.5481	83.9179	43	Partial curve; partial efficacy	-5.45	0.9	0.9948	-69.9179	14	-2.2	0 0 0 0 0 0	-61.5982	16.5841		8.808		3.9336		-11.9394		-44.1024		-61.5982		QC'd by MedChem Express
Cytotoxic	10	74.6328	42	Partial curve; partial efficacy	-5	4.5045	0.9705	-73.1328	1.5	-2.2	0 0 0 0 0 0	-72.9235	4.7089		-8.3955		2.447		6.6563		-21.5584		-72.9235		QC'd by Microsource
Cytotoxic	10	85.2865	42	Partial curve; partial efficacy	-5	2.8473	0.9813	-78.2865	7	-2.2	0 0 0 0 0 0	-76.1447	2.8336		4.2096		6.7575		15.5975		-26.1115		-76.1447		QC'd by Selleck
Cytotoxic	15.8489	110.283	42	Partial curve; high efficacy	-4.8	4.095	0.9651	-114.283	-4	-2.1	0 0 0 0 0 0	-105.2329	4.5123		-6.2646		-15.7924		-8.0922		-13.0841		-105.2329		QC'd by APExBIO
Cytotoxic	5.6234	59.1928	42	Partial curve; partial efficacy	-5.25	1.7137	0.9927	-64.1388	-4.946	-2.2	0 0 0 0 0 0	-62.1656	-1.205		-6.6585		-7.6087		-10.5211		-44.0933		-62.1656		QC'd by APExBIO
Cytotoxic	11.2202	95.8421	42	Partial curve; high efficacy	-4.95	4.9549	0.9946	-108.9826	-13.1404	-2.1	0 0 0 0 0 0	-108.765	-13.9778		-8.867		-17.3979		-12.3204		-29.6896		-108.765		QC'd by Microsource
Cytotoxic	14.1254	103.8132	42	Partial curve; high efficacy	-4.85	4.095	0.9922	-89.3132	14.5	-2.1	0 0 0 0 0 0	-82.8741	14.0675		11.603		18.4826		16.3404		1.5094		-82.8741		QC'd by Selleck
Cytotoxic	15.8489	95.5525	41	Partial curve; high efficacy	-4.8	4.095	0.9613	-99.5525	-4	-2.1	0 0 0 0 0 0	-92.1783	-3.4956		1.341		-1.2347		-17.1643		-12.6357		-92.1783		QC'd by Microsource
Cytotoxic	22.3872	125.7512	41	Partial curve; high efficacy	-4.65	4.095	0.9732	-131.3763	-5.6252	-2.1	0 0 0 0 0 0	-121.6448	-4.6357		-15.9		-1.3543		-17.0265		-12.9576		-121.6448		QC'd by MedChem Express
Cytotoxic	0.1122	45.0651	25	Complete curve; partial efficacy	-6.95	1.4781	0.9909	-39.5651	5.5	-1.2	0 0 0 0 0 0	-40.801	3.5169		-8.4238		-32.7672		-35.2484		-40.7085		-40.801		QC'd by BIOMOL
Cytotoxic	1.4125	44.1947	23	Complete curve; partial efficacy	-5.85	0.6	0.9492	-43.8679	0.3268	-1.2	0 0 0 0 0 0	-41.0814		-5.9543		-3.061		-21.5724		-25.4792		-35.5859		-41.0814	QC'd by SIGMA
Cytotoxic	1	35.9562	23	Complete curve; partial efficacy	-6	4.9549	0.9699	-36.4562	-0.5	-1.2	0 0 0 0 0 0	-36.8037	-6.5836		1.7223		3.0776		-34.6493		-35.6313		-36.8037		QC'd by APExBIO
Cytotoxic	1.9953	35.3993	22	Complete curve; partial efficacy	-5.7	2.7202	0.9471	-34.8993	0.5	-1.2	0 0 0 0 0 0	-28.9048	-0.4564		2.4701		-0.7641		-13.0566		-40.5876		-28.9048		QC'd by SigmaAldrich

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

来源：NCGC 靶标：N/A

External ID: adst_Celegans_Anti-infectives-o1

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., C. elegans, Compounds, Incubation, Read, etc.); VALUE and DESCRIPTION.
1. C. elegans. Mixed population of OP50 E. coli fed PE254-GFP-FLuc C. elegans collected, bleached, and axenized eggs hatched overnight at 21 oC with 65 RPM shaking in M9 buffer.
2. Compounds. Library compounds, levamisole toxicity control and DMSO vehicle control added at 250 nL per well to 21 assay ready 384-well Greiner uClear plates and two DMSO control plates, transferred by Echo acoustic dispenser.
3. Media. Add 30 uL per well strained TOP10 E. coli capsules diluted to OD600 = 0.85 in S medium to 23 assay ready 384-well Greiner uClear plates.
4. C. elegans. Add 10 synchronized L1 worms per 30 uL per well to 23 assay ready 384-well Greiner uClear plates with bacterial capsules and compounds.
5. Detector. Worm GFP fluorescence measured on an Acumen eX3 laser cytometer within 2 hr of plating with settings as follows: Scan 1: Ex laser 488 nm; Detection Channel: Green, Voltage = 400, Sensitivity = 2, Trigger; Default reader settings; Data gated on perimeter, area, and peak intensity of detected objects.
6. Incubation. C. elegans grown in 384-well plates with bacterial capsules and compounds at 21 oC with 65 RPM shaking for 7 days.
7. Detector. C. elegans GFP fluorescence measured on an Acumen eX3 laser cytometer at day 0, 3 and day 7 with the following settings: Scan 1: Ex laser 488 nm; Detection Channel: Green, Voltage = 400, Sensitivity = 2, Trigger; Default reader settings; Data gated on perimeter, area, and peak intensity of detected objects.

NOTES (numbers refer to Sequence numbers above; values are from representative experiments)
1. Mixed population of PE254-GFP-FLuc C. elegans (P#18) grown for three days on twelve 10 cm NGM plates with OP50 E. coli. Worms collected from freshly starved plates with 4 ml 1X S basal buffer per plate into 15 ml tubes. Each plate rinsed with an additional 2 ml buffer and rinse added to 15 ml tubes. Worms allowed to settle at ambient temp for 10 min, buffer removed as waste and worms washed 3x with 5 ml buffer per tube. Washed worms resuspended in 3 ml 1X S basal buffer per 15 ml tube and 2 ml bleach solution (5 ml 5 M NaOH + 10 ml 8% hypochlorite bleach) added to each tube. Worms vortexed in bleach solution for 30 sec every minute for 4-8 minutes until worms dissolved and eggs released. Egg solution diluted with 5 ml 1X S basal buffer per tube. Solutions centrifuged at 4000 RPM for 5 min to pellet eggs, bleach solution removed as waste and eggs washed 3x with 5 ml buffer per tube. Eggs resuspended in 1 ml M9 buffer per tube and divided evenly between two T25 culture flasks with a total of 10 ml M9 buffer per flask. Eggs allowed to hatch overnight at 21 oC with 65 RPM shaking.
2. NIH Anti-Infectives library pre-dispensed into 21 assay ready 384-well Greiner uClear plates with Echo acoustic dispenser. Most compounds dispensed at 10 mM high concentration and plated in 7-pt 1:5 inter-plate titration at 250 nl / well for a final assay concentration range of 41.7 uM - 2.7 nM. Two 384-well Greiner uClear plates of DMSO plated as screening controls to be read at the beginning and the end of the screen. Controls included DMSO vehicle control added at 250 nl/well to each well of column 1, 10 mM high concentration levamisole added at 250 nl/well to each well of column 2 rows 1-8 (41.7 uM final assay concentration), and Levamisole titrated 1:3 at 250 nl/ well to column 2 rows 9-16 for a final assay concentration range of 41.7 uM - 19.1 nM.
3. TOP10 E. coli capsules diluted from 30 ml concentrated stock solution into 270 ml S medium (IPM Scientific) for a final OD600 of 0.851. 30 ul of E. coli capsule solution added to each well of assay ready Greiner uClear 384-well plates with pre-plated compounds and controls manually with multichannel Capp Pipette.
4. Synchronized L1 PE254-GFP-FLuc C. elegans hatched overnight collected from two T25 flasks and counted under microscope. L1 worms diluted to 110,000 worms in 325 ml S Medium and plated at 10 worms / 30 ul per well into 23 assay ready 384-well Greiner uClear plates with pre-plated compounds and E. coli capsules with multichannel Capp Pipette.
5. GFP Fluorescence of PE254-GFP-FLuc C. elegans read on Acumen eX3 laser cytometer within 2 hr of plating as "day 0" time point with the settings: Scan 1: Ex laser 488 nm; Detection Channels: Green, Voltage = 400, Sensitivity = 2, Trigger; Default reader settings. Data gated on perimeter, area, and peak intensity of detected objects.
6. C. elegans grown in 384-well plates with compounds and E. coli capsules at 21 oC with 65 RPM shaking for 7 days.
7. GFP Fluorescence of PE254-GFP-FLuc C. elegans read on Acumen eX3 laser cytometer on day 3 and day 7 of time course with the settings: Scan 1: Ex laser 488 nm; Detection Channels: Green, Voltage = 400, Sensitivity = 2, Trigger; Default reader settings. Data gated on perimeter, area, and peak intensity of detected objects.

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 this panel qHTS, two time points (Day 3 and Day 7) of various parameters were collected to evaluate compounds which kills the worms early, which kill later, and which inhibit worm reproduction without killing. Activity and Score calling is based on the cumulative results coming from the individual Class Curve Fit of all parameters of the two time points. The criteria are defined as follows:
a. For all ACTIVE compounds, with Curve Class (Fit CurveClass) of -1.1 to -2.4 for Day 7 Area readout, PUBCHEM_ACTIVITY_SCORE is 90. In addition, active compounds that validated in follow-up secondary and tertiary analyses including but not limited to follow-up laser cytometry screening and life stage sorting are given a PROBE compound designation and PUBCHEM_ACTIVITY_SCORE of 100.
b. For all INCONCLUSIVE compounds, with Curve Class (Fit CurveClass) of -3 for Day 7 Area readout and/or Curve Class Fit of -1.1 to -3 for any of the other parameters measured (Day 7 Worm Number, Day 3 Area, or Day 3 Worm Number), PUBCHEM_ACTIVITY_SCORE is 30
c. For all INACTIVE compounds, with Curve Class 4 and/or didn't belong to the criteria mentioned above, PUBCHEM_ACTIVITY_SCORE is 0.

Reference:
[1] Inglese J, Auld DS, Jadhav A, Johnson RL, Simeonov A, Yasgar A, Zheng W, Austin CP. 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 Aug 1;103(31):11473-8. doi: 10.1073/pnas.0604348103. Epub 2006 Jul 24. PMID: 16864780; PMCID: PMC1518803.

Day_3_Area-Phenotype	Day_3_Area-Potency	Day_3_Area-Efficacy	Day_3_Area-Activity_Score	Day_3_Area-Curve_Description	Day_3_Area-Fit_LogAC50	Day_3_Area-Fit_HillSlope	Day_3_Area-Fit_R2	Day_3_Area-Fit_InfiniteActivity	Day_3_Area-Fit_ZeroActivity	Day_3_Area-Fit_CurveClass	Day_3_Area-Excluded_Points	Day_3_Area-Max_Response	Day_3_Area-Activity at 0.00267 uM	Day_3_Area-Activity at 0.013 uM	Day_3_Area-Activity at 0.067 uM	Day_3_Area-Activity at 0.333 uM	Day_3_Area-Activity at 1.666 uM	Day_3_Area-Activity at 8.331 uM	Day_3_Area-Activity at 41.77 uM	Day_3_Worm_Number-Phenotype	Day_3_Worm_Number-Potency	Day_3_Worm_Number-Efficacy	Day_3_Worm_Number-Activity_Score	Day_3_Worm_Number-Curve_Description	Day_3_Worm_Number-Fit_LogAC50	Day_3_Worm_Number-Fit_HillSlope	Day_3_Worm_Number-Fit_R2	Day_3_Worm_Number-Fit_InfiniteActivity	Day_3_Worm_Number-Fit_ZeroActivity
Inhibitor	0.0073	61.4857	10	Complete curve; partial efficacy; poor fit	-8.1382	1	0.8137	-31.4857	30	-1.4	0 0 0 0 0 0 0	-46.8795	15.6863	-15.2542	-20	-28.1671	-29.4278	-21.6524	-46.8795	Inhibitor	36.4597	96.2403	10	Single point of activity	-4.4382	1	0.531	-96.2403	0
Inhibitor	2.0503	100	10	Partial curve; high efficacy; poor fit	-5.6882	1	0.7194	-100	0	-2.3	1 0 0 0 0 1 0	-86.8	20.8716	0	-37.8342	-11.1952	-44.8328	0	-86.8	Inhibitor	25.8115	42.8571	10	Single point of activity	-4.5882	1	0.56	-42.8571	0
Inactive		0	0					0	0	4		0	39.9083	0	-40.2406	-24.5083	-28.1155	-5.2877	0	Inactive		0	0					0	0
Activator		0	0					0	0	5		0	-16.6667	-98.0586	-134.8986	-85.9838	-125.5313	-97.3219	0	Inactive		0	0					0	0
Inhibitor	0.205	82.155	10	Complete curve; high efficacy; poor fit	-6.6882	1	0.9258	-82.155	0	-1.3	1 0 0 0 0 1 0	-76.9231	-44.7248	-18.0897	-18.8503	-46.5961	-80.6991	-46.6563	-76.9231	Inactive		0	0					0	0
Inhibitor	1.4515	100	10	Partial curve; high efficacy; poor fit	-5.8382	1	0.7355	-100	0	-2.3	0 0 0 0 0 0 0	-156.2068	23.3945	3.6179	-34.893	-23.9032	-46.9605	-68.1182	-156.2068	Inhibitor	14.5149	100	10	Partial curve; high efficacy; poor fit	-4.8382	1	0.9332	-100	0
Inactive	0.0916	16.0856	0		-7.0382	1	0.4227	-16.0856	0	4	0 0 0 0 0 0 0	-24.238	-0.3268	0	-1.7391	-21.6981	-17.7112	0	-24.238	Inactive		0	0					0	0
Inactive		0	0					0	0	4		0	0.2294	0	9.2246	17.2466	6.535	-4.0435	0	Inhibitor	5.1501	77.2295	10	Partial curve; partial efficacy; poor fit	-5.2882	1	0.4099	-77.2295	0
Inhibitor	14.5149	95.4462	10	Partial curve; partial efficacy; poor fit	-4.8382	1	0.6267	-95.4462	0	-2.4	1 0 0 0 0 0 0	-72.3077	40.5963	-5.3546	-16.1765	-32.0726	0	-32.3484	-72.3077	Inactive	0.2581	44.675	0		-6.5882	1	0.4552	-14.675	30
Inactive		0	0					0	0	4		-11.0305	11.7647	-32.5116	-6.9565	-44.3396	-123.9237	-5.1282	-11.0305	Inactive		0	0					0	0
Inhibitor	14.5149	94.3523	10	Partial curve; partial efficacy; poor fit	-4.8382	1	0.5977	-94.3523	0	-2.4	0 0 0 1 0 0 0	-72.6154	0	-0.4342	-32.4866	30.8623	-26.5957	-23.9502	-72.6154	Inhibitor	0.0578	53.2739	10	Complete curve; partial efficacy; poor fit	-7.2382	1	0.7565	-53.2739	0
Inhibitor	2.3005	100	10	Partial curve; high efficacy; poor fit	-5.6382	1	0.7478	-100	0	-2.3	0 0 0 0 0 0 0	-138.7692	6.6514	-19.8263	-8.4225	-31.4675	-43.0091	-52.2551	-138.7692	Inhibitor	7.2747	100	10	Partial curve; high efficacy; poor fit	-5.1382	1	0.8601	-100	0
Inactive		0	0					0	0	4		0	8.1699	-17.4114	-11.0145	-12.2642	-23.7057	0	0	Inactive		0	0					0	0
Inactive		0	0					0	0	4		0	-5.2752	4.7757	0	17.2466	-46.0486	-68.7403	0	Inhibitor	14.5149	93.1071	10	Single point of activity	-4.8382	1	0.8309	-93.1071	0
Inactive		0	0					0	0	4		-18.1538	-42.8899	-5.7887	-9.7594	0	-44.2249	-8.3981	-18.1538	Inactive		0	0					0	0
Inhibitor	2.8961	43.8077	10	Complete curve; partial efficacy; poor fit	-5.5382	1	0.6666	-43.8077	0	-1.4	1 0 0 0 0 0 0	-33.9623	41.5033	-9.0909	-11.5942	-1.752	-6.812	-46.1538	-33.9623	Inactive	0.7275	32.3256	0		-6.1382	1	0.3556	-17.3256	15
Inactive	0.1827	27.6345	0		-6.7382	1	0.7715	-12.1345	15.5	4	0 1 0 0 0 0 0	-9.5385	15.1376	-23.2996	8.6898	-6.0514	0	-20.5288	-9.5385	Inactive	0.2581	18.7586	0		-6.5882	1	0.4331	-18.7586	0
Inactive		0	0					0	0	4		0	-13.9908	0	-2.9412	7.5643	0	0	0	Inactive		0	0					0	0
Inactive		0	0					0	0	4		-13.8462	-19.0367	-1.3025	-5.4813	37.2163	-17.1733	-81.493	-13.8462	Inactive	0.0183	52.9825	0		-7.7382	1	0.3616	-22.9825	30
Inhibitor	0.7275	100	88	Complete curve; high efficacy	-6.1382	1	0.9442	-100	0	-1.1	1 0 0 0 0 0 0	-98.8389	-20.5882	-14.0216	0	-17.1159	-80.3815	-99.1453	-98.8389	Inhibitor	1.2936	55.3077	10	Complete curve; partial efficacy; poor fit	-5.8882	1	0.7509	-55.3077	0

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

来源：ChEMBL 靶标：Sindbis virus

External ID: CHEMBL858513

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1992
Volume: 35
Issue: 24
First Page: 4576
Last Page: 4583
DOI: 10.1021/jm00102a010

Target ChEMBL ID: CHEMBL613725
ChEMBL Target Name: Sindbis virus
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	Standard Units
MIC	>	0.1	ug.mL-1
MIC	>	100	ug.mL-1
MIC	>	100	ug.mL-1
MIC	=	70	ug.mL-1
MIC	>	400	ug.mL-1
MIC	=	200	ug.mL-1
MIC	>	200	ug.mL-1
MIC	>	400	ug.mL-1

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL776441

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1986
Volume: 29
Issue: 1
First Page: 138
Last Page: 143
DOI: 10.1021/jm00151a022

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
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	Standard Units
ED50	=	9	mg.kg-1
ED50	=	8	mg.kg-1
ED50	>	9	mg.kg-1
ED50	=	8	mg.kg-1
ED50	>	9	mg.kg-1
ED50	>	9	mg.kg-1
ED50	=	9	mg.kg-1
ED50	=	3	mg.kg-1
ED50	=	10	mg.kg-1

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

来源：ChEMBL 靶标：Human alphaherpesvirus 1

External ID: CHEMBL690177

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1984
Volume: 27
Issue: 7
First Page: 924
Last Page: 928
DOI: 10.1021/jm00373a020

Target ChEMBL ID: CHEMBL377
ChEMBL Target Name: Human alphaherpesvirus 1
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	Standard Units
MIC	=	40	ug.mL-1
MIC	=	4	ug.mL-1
MIC	>	400	ug.mL-1

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

来源：ChEMBL 靶标：Measles morbillivirus

External ID: CHEMBL716464

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1984
Volume: 27
Issue: 7
First Page: 924
Last Page: 928
DOI: 10.1021/jm00373a020

Target ChEMBL ID: CHEMBL613738
ChEMBL Target Name: Measles morbillivirus
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	Standard Units
MIC	=	40	ug.mL-1
MIC	>=	40	ug.mL-1
MIC	=	20	ug.mL-1

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

来源：23265 靶标：IucA from hypervirulent Klebsiella pneumoniae

External ID: IucA Pilot Assay LOPAC Library

Protocol: A solution containing 55.6 mM HEPES pH 7.5, 0.11% Tween 20, 16.7 mM MgCl2, 55.6 mM hydroxylamine, 55.6 microM ATP, 55.6 microM citrate, and 0.28 U/mL IPP was dispensed (45 microL) into clear polystyrene microplates (Corning, Inc.) using a BioTek MicroFlo dispenser.

Next, 40 nL of test compounds (10 mM in DMSO, 8 microM final concentration) were transferred from deep-well blocks to the reaction solution using a stainless-steel pin tool operated by a robotic workstation (JANUS, PerkinElmer, Waltham, MA). The IucA-catalyzed reaction was initiated by adding 5 microL of 3 microM IucA in 25 mM HEPES, 75 mM NaCl, and 0.1 mM TCEP at pH 7.5.

The reactions were allowed to proceed for 30 min at room temperature before being quenched by dispensing (microFill, BioTek) 13 microL of MG developing solution, containing 1.0 mg/mL MG oxalate, 1.5% (w/v) ammonium molybdate, 0.15% (v/v) Tween 20, and 4.7 N sulfuric acid. After allowing the assay color to develop/stabilize for 30 min, the absorbance at 620 nm was measured (EnVision 2103 Multilabel Microplate Reader, PerkinElmer).

Average positive controls from 24 wells with no test compound and average negative controls from 8 wells with no enzyme were calculated. Dynamic range was calculated by difference between Avg Pos Control and Avg Neg Control. Percent inhibition was calculated by the ratio of (Avg. Pos. Ctrl - Sample OD) to Dynamic Range.

Comment: Protein Target is
IucA

EMB09144
574 aa
G057_19877
Klebsiella pneumoniae hvKP1

Active compounds were defined by <80% activity at 8 microM screening concentration.

OD	%Activity	384ID
1.046	108.156748266256	1A04
1.043	107.623288483196	1A05
1.076	113.491346096853	1A06
1.134	123.804901902673	1A07
1.11	119.537223638196	1A08
1.109	119.359403710509	1A09
1.123	121.848882698121	1A10
1.129	122.91580226424	1A11
1.155	127.539120384091	1A12
1.166	129.495139588643	1A14
1.159	128.250400094837	1A16
1.124	122.026702625808	1A17
1.049	108.690208049315	1A19
1.05	108.868027977002	1A20
1.062	111.001867109241	1A21
1.033	105.84508920633	1A22
1.058	110.290587398494	1B03
1.057	110.112767470808	1B04
1.053	109.401487760062	1B05
1.086	115.269545373718	1B06

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

来源：ChEMBL 靶标：Histone-lysine N-methyltransferase, H3 lysine-79 specific

External ID: CHEMBL4479549

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2016
Volume: 26
Issue: 18
First Page: 4518
Last Page: 4522
DOI: 10.1016/j.bmcl.2016.07.041

Target ChEMBL ID: CHEMBL1795117
ChEMBL Target Name: Histone-lysine N-methyltransferase, H3 lysine-79 specific
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	=	26	%
Inhibition	=	41	%
Inhibition	<	20	%
Inhibition	<	20	%
Inhibition	<	20	%
Inhibition	=	44	%
Inhibition	<	20	%
Inhibition	=	50	%
Inhibition	=	52	%

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

来源：ChEMBL 靶标：Human alphaherpesvirus 1

External ID: CHEMBL857206

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1992
Volume: 35
Issue: 24
First Page: 4576
Last Page: 4583
DOI: 10.1021/jm00102a010

Target ChEMBL ID: CHEMBL377
ChEMBL Target Name: Human alphaherpesvirus 1
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	Standard Units
MIC	>	0.2	ug.mL-1
MIC	>	40	ug.mL-1
MIC	>	200	ug.mL-1
MIC	>	400	ug.mL-1
MIC	>	400	ug.mL-1
MIC	>	400	ug.mL-1
MIC	>	150	ug.mL-1
MIC	>	400	ug.mL-1

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

来源：ChEMBL 靶标：Adenosine receptor A3

External ID: CHEMBL643127

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: J. Med. Chem.
Year: 1995
Volume: 38
Issue: 7
First Page: 1174
Last Page: 1188
DOI: 10.1021/jm00007a014

Target ChEMBL ID: CHEMBL3360
ChEMBL Target Name: Adenosine A3 receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
0.36	Ki	=	360	nM
0.0011	Ki	=	1.1	nM
2.83	Ki	=	2830	nM
61.7	Ki	=	61700	nM
0.12	Ki	=	120	nM
16.9	Ki	=	16900	nM
0.742	Ki	=	742	nM
11	Ki	=	11000	nM
10.4	Ki	=	10400	nM
0.113	Ki	=	113	nM
207	Ki	=	207000	nM	Outside typical range
1.09	Ki	=	1090	nM
49.3	Ki	=	49300	nM
0.0256	Ki	=	25.6	nM
1.48	Ki	=	1480	nM
199	Ki	=	199000	nM	Outside typical range
2.48	Ki	=	2480	nM

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

来源：ChEMBL 靶标：Mammalian orthoreovirus 1

External ID: CHEMBL858520

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1992
Volume: 35
Issue: 24
First Page: 4576
Last Page: 4583
DOI: 10.1021/jm00102a010

Target ChEMBL ID: CHEMBL612927
ChEMBL Target Name: Mammalian orthoreovirus 1
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	Standard Units
MIC	=	0.02	ug.mL-1
MIC	>	100	ug.mL-1
MIC	>	100	ug.mL-1
MIC	=	0.4	ug.mL-1
MIC	=	7	ug.mL-1
MIC	=	40	ug.mL-1
MIC	>	200	ug.mL-1
MIC	>	200	ug.mL-1

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

来源：ChEMBL 靶标：Human alphaherpesvirus 1

External ID: CHEMBL878315

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1984
Volume: 27
Issue: 11
First Page: 1416
Last Page: 1421
DOI: 10.1021/jm00377a007

Target ChEMBL ID: CHEMBL377
ChEMBL Target Name: Human alphaherpesvirus 1
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	Standard Units
MIC50	<	0.3	ug.mL-1
MIC50	<	1	ug.mL-1
MIC50	=	1.6	ug.mL-1
MIC50	=	0.6	ug.mL-1
MIC50	<	3.2	ug.mL-1
MIC50	=	8.1	ug.mL-1
MIC50	=	0.6	ug.mL-1
MIC50	=	0.8	ug.mL-1
MIC50	=	0.4	ug.mL-1
MIC50	=	0.1	ug.mL-1
MIC50	=	238	ug.mL-1
MIC50	=	0.3	ug.mL-1
MIC50	=	10	ug.mL-1

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

来源：ChEMBL 靶标：Trypanosoma brucei

External ID: CHEMBL861430

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2006
Volume: 49
Issue: 6
First Page: 2096
Last Page: 2102
DOI: 10.1021/jm0511379

Target ChEMBL ID: CHEMBL612849
ChEMBL Target Name: Trypanosoma brucei
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	Standard Units	Activity Comment
IC50	=	0.16	ug.mL-1
IC50	=	0.02	ug.mL-1
IC50				Not Determined

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

来源：ChEMBL 靶标：Human alphaherpesvirus 1

External ID: CHEMBL695959

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1984
Volume: 27
Issue: 11
First Page: 1416
Last Page: 1421
DOI: 10.1021/jm00377a007

Target ChEMBL ID: CHEMBL377
ChEMBL Target Name: Human alphaherpesvirus 1
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
Virus rating	>=	4.6
Virus rating	=	5
Virus rating	=	4.5
Virus rating	=	4.5
Virus rating	=	4.9
Virus rating	=	1.9
Virus rating	=	4.2
Virus rating	=	5.4
Virus rating	=	6.5
Virus rating	=	7.9
Virus rating	=	1.1
Virus rating	=	6.2
Virus rating	=	3.9

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

来源：Shanghai Institute of Organic Chemistry 靶标：N/A

External ID: PDBbind-Ki for protein-ligand complexes

Protocol:

Comment:

PDBbind Data Link	Affinity_Quilifier	Ki	PubMed	Protein Target	Protein Name	MMDB	PDB
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1mto	=	0.11	12390023	1MTO_A,1MTO_B	6-phosphofructokinase	21480	1MTO
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1mu6	=	0.0042	12570369	1MU6_B	thrombin alpha	26736	1MU6
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1mue	=	0.0023	12657281	1MUE_B	thrombin alpha	26738	1MUE
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1mx1	>	100	12725862	1MX1_A	carboxylesterase i	22651	1MX1
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1mxo	=	0.001		1MXO_A	beta-lactamase	22061	1MXO
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1my8	=	0.035		1MY8_A	beta-lactamase	22064	1MY8
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n1v	=	140	12507479	1N1V_A	neuraminidase (sialidase)	21810	1N1V
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n2v	=	83	12646024	1N2V_A	queuine tRNA-ribosyltransferase	22661	1N2V
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n3i	=	0.0013	12755607	1N3I_A,1N3I_B	purine nucleoside phosphorylase	24646	1N3I
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n46	=	3.0E-5	12565933	1N46_A	thyroid hormone receptor beta-1	22662	1N46
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n4h	=	0.28	12958591	1N4H_A	nuclear receptor ror-beta	24647	1N4H
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n5r	=	2.2	12505979	1N5R_A	acetylcholinesterase	21834	1N5R
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n7i	=	0.26	14695818	1N7I_A	phenylethanolamine n-methyltransferase	25597	1N7I
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1nc1	=	0.75	12496243	1NC1_A,1NC1_B	mta/sah nucleosidase	25250	1NC1
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1nc3	=	10	12496243	1NC3_A,1NC3_B	mta/sah nucleosidase	22390	1NC3
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1nde	=	0.015	12459017	1NDE_A	estrogen receptor beta	21544	1NDE
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1ndz	=	0.0077	14709046	1NDZ_A	adenosine deaminase	25613	1NDZ
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1nhv	=	2.2	12509436	1NHV_A	rna-dependent rna polymerase	22403	1NHV
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1nny	=	0.022	12670229	1NNY_A	tyrosine phosphatase 1b	22696	1NNY
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1noj	=	700	8652510	1NOJ_A	glycogen phosphorylase	56992	1NOJ

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL741190

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1986
Volume: 29
Issue: 1
First Page: 138
Last Page: 143
DOI: 10.1021/jm00151a022

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
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	Standard Units
Inhibition	=	11	%
Inhibition	=	11	%
Inhibition	=	20	%
Inhibition	=	6	%
Inhibition	=	24	%
Inhibition	=	29	%
Inhibition	=	38	%
Inhibition	=	12	%
Inhibition	=	1	%
Inhibition	=	21	%
Inhibition	=	49	%
Inhibition	=	0	%

6736-58-9 靶点实验数据