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: CHEMBL980082

Protocol: N/A

Comment: Journal: J. Nat. Prod.
Year: 2005
Volume: 68
Issue: 2
First Page: 198
Last Page: 206
DOI: 10.1021/np040072u

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	Data Validity Comment
55.8	IC50	=	55800	nM
316	IC50	>	316000	nM	Outside typical range
191	IC50	=	191000	nM	Outside typical range
84	IC50	=	84000	nM
236	IC50	=	236000	nM	Outside typical range
316	IC50	>	316000	nM	Outside typical range

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: CHEMBL980081

Protocol: N/A

Comment: Journal: J. Nat. Prod.
Year: 2005
Volume: 68
Issue: 2
First Page: 198
Last Page: 206
DOI: 10.1021/np040072u

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	Data Validity Comment
21.6	IC50	=	21600	nM
316	IC50	>	316000	nM	Outside typical range
191	IC50	=	191000	nM	Outside typical range
55.7	IC50	=	55700	nM
144	IC50	=	144000	nM	Outside typical range
159	IC50	=	159000	nM	Outside typical range

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

来源：ChEMBL 靶标：RAW264.7

External ID: CHEMBL5133480

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: 58
First Page: 128523
Last Page: 128523
DOI: 10.1016/j.bmcl.2021.128523

Target ChEMBL ID: CHEMBL612557
ChEMBL Target Name: RAW264.7
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
0.55	IC50	=	550	nM
29.87	IC50	=	29870	nM

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

来源：ChEMBL 靶标：Transcription factor p65

External ID: CHEMBL4235015

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
Year: 2018
Volume: 26
Issue: 15
First Page: 4452
Last Page: 4460
DOI: 10.1016/j.bmc.2018.07.025

Target ChEMBL ID: CHEMBL5533
ChEMBL Target Name: Nuclear factor NF-kappa-B p65 subunit
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	Activity Comment
0.031	IC50	=	31	nM
	IC50				Not Determined
10	IC50	>	10000	nM
0.07	IC50	=	70	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
1.6	IC50	=	1600	nM
	IC50				Not Determined
8.7	IC50	=	8700	nM
10	IC50	>	10000	nM
5.4	IC50	=	5400	nM
10	IC50	>	10000	nM
	IC50				Not Determined
	IC50				Not Determined
	IC50				Not Determined
10	IC50	>	10000	nM

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

来源：ChEMBL 靶标：RAW264.7

External ID: CHEMBL5133481

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: 58
First Page: 128523
Last Page: 128523
DOI: 10.1016/j.bmcl.2021.128523

Target ChEMBL ID: CHEMBL612557
ChEMBL Target Name: RAW264.7
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
91.6	IC50	=	91600	nM
60.38	IC50	=	60380	nM

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

来源：24565 靶标：N/A

External ID: ERK5 transcriptional activity-HTS

Protocol: Stable cells plated on a 384-well plate (2500 cells/well) were treated with test compounds at the concentration of 5 muM for 18 hrs. The level of luciferase activity was assayed using a
Luciferase kit (Promega corporation, Madison, WI) and a series of positive and negative control compounds were used as references.

Comment:

Luciferase activity (AU)
104
108
64
28
100
152
176
52
124
44
60
60
32
96
60
144
28
64
84
44

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

来源：ChEMBL 靶标：OVCAR-3

External ID: CHEMBL4235014

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
Year: 2018
Volume: 26
Issue: 15
First Page: 4452
Last Page: 4460
DOI: 10.1016/j.bmc.2018.07.025

Target ChEMBL ID: CHEMBL614213
ChEMBL Target Name: OVCAR-3
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
	IC50	=	12.9	ug.mL-1
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
	IC50				Not Determined
0.013	IC50	=	13	nM
10	IC50	>	10000	nM
	IC50				Not Determined
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM

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

来源：ChEMBL 靶标：RAW264.7

External ID: CHEMBL5133482

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2022
Volume: 58
First Page: 128523
Last Page: 128523
DOI: 10.1016/j.bmcl.2021.128523

Target ChEMBL ID: CHEMBL612557
ChEMBL Target Name: RAW264.7
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
Activity	=	102.54	%
Activity	=	88.46	%

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

来源：ChEMBL 靶标：HT-29

External ID: CHEMBL4235016

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
Year: 2018
Volume: 26
Issue: 15
First Page: 4452
Last Page: 4460
DOI: 10.1016/j.bmc.2018.07.025

Target ChEMBL ID: CHEMBL384
ChEMBL Target Name: HT-29
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
3.5	IC50	=	3500	nM
	IC50				Not Determined
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
0.51	IC50	=	510	nM
0.02	IC50	=	20	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
	IC50				Not Determined
	IC50				Not Determined
10	IC50	>	10000	nM

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

来源：ChEMBL 靶标：Pseudomonas aeruginosa

External ID: CHEMBL969466

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. Nat. Prod.
Year: 2008
Volume: 71
Issue: 4
First Page: 547
Last Page: 550
DOI: 10.1021/np070483l

Target ChEMBL ID: CHEMBL348
ChEMBL Target Name: Pseudomonas aeruginosa
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
31.9	MIC	=	31900	nM
140	MIC	=	140000	nM

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

来源：ChEMBL 靶标：Candida albicans

External ID: CHEMBL969465

Protocol: N/A

Comment: Journal: J. Nat. Prod.
Year: 2008
Volume: 71
Issue: 4
First Page: 547
Last Page: 550
DOI: 10.1021/np070483l

Target ChEMBL ID: CHEMBL366
ChEMBL Target Name: Candida albicans
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
31.9	MIC	=	31900	nM
69.6	MIC	=	69600	nM

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

来源：ChEMBL 靶标：Bacillus cereus

External ID: CHEMBL969468

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. Nat. Prod.
Year: 2008
Volume: 71
Issue: 4
First Page: 547
Last Page: 550
DOI: 10.1021/np070483l

Target ChEMBL ID: CHEMBL613070
ChEMBL Target Name: Bacillus cereus
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
63.8	MIC	=	63800	nM
140	MIC	=	140000	nM

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

来源：ChEMBL 靶标：Enterococcus faecalis

External ID: CHEMBL969467

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. Nat. Prod.
Year: 2008
Volume: 71
Issue: 4
First Page: 547
Last Page: 550
DOI: 10.1021/np070483l

Target ChEMBL ID: CHEMBL362
ChEMBL Target Name: Enterococcus faecalis
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
31.9	MIC	=	31900	nM
50	MIC	=	50000	nM

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

来源：ChEMBL 靶标：WI-38 VA13

External ID: CHEMBL980084

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. Nat. Prod.
Year: 2005
Volume: 68
Issue: 2
First Page: 198
Last Page: 206
DOI: 10.1021/np040072u

Target ChEMBL ID: CHEMBL612807
ChEMBL Target Name: WI-38 VA13
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	Data Validity Comment
93.6	IC50	=	93600	nM
199	IC50	=	199000	nM	Outside typical range
58.3	IC50	=	58300	nM
96.1	IC50	=	96100	nM
235	IC50	>	235000	nM	Outside typical range
121	IC50	=	121000	nM	Outside typical range
212	IC50	>	212000	nM	Outside typical range
67.1	IC50	=	67100	nM
19.3	IC50	=	19300	nM
0.38	IC50	=	380	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: CHEMBL980083

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. Nat. Prod.
Year: 2005
Volume: 68
Issue: 2
First Page: 198
Last Page: 206
DOI: 10.1021/np040072u

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
1.8	IC50	=	1800	nM
2.4	IC50	=	2400	nM
11.8	IC50	=	11800	nM
213	IC50	>	213000	nM	Outside typical range
12.7	IC50	=	12700	nM
213	IC50	>	213000	nM	Outside typical range
3.4	IC50	=	3400	nM
7.2	IC50	=	7200	nM
14	IC50	=	14000	nM
0.66	IC50	=	660	nM

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

来源：ChEMBL 靶标：Escherichia coli

External ID: CHEMBL969464

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. Nat. Prod.
Year: 2008
Volume: 71
Issue: 4
First Page: 547
Last Page: 550
DOI: 10.1021/np070483l

Target ChEMBL ID: CHEMBL354
ChEMBL Target Name: Escherichia coli
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
31.9	MIC	=	31900	nM
140	MIC	=	140000	nM

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

来源：ChEMBL 靶标：NON-PROTEIN TARGET

External ID: CHEMBL980085

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. Nat. Prod.
Year: 2005
Volume: 68
Issue: 2
First Page: 198
Last Page: 206
DOI: 10.1021/np040072u

Target ChEMBL ID: CHEMBL3879801
ChEMBL Target Name: NON-PROTEIN TARGET
ChEMBL Target Type: NON-MOLECULAR - Target has not been defined at a molecular level, only the non-molecular entity which is affected (e.g., organism, cell line etc)
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
145	IC50	=	145000	nM	Outside typical range
142	IC50	=	142000	nM	Outside typical range
214	IC50	=	214000	nM	Outside typical range
105	IC50	=	105000	nM	Outside typical range
220	IC50	=	220000	nM	Outside typical range
90.6	IC50	=	90600	nM
159	IC50	=	159000	nM	Outside typical range
99.7	IC50	=	99700	nM
92.7	IC50	=	92700	nM
1.2	IC50	=	1200	nM

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

来源：ChEMBL 靶标：HepG2

External ID: CHEMBL4011316

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: 2017
Volume: 27
Issue: 8
First Page: 1665
Last Page: 1669
DOI: 10.1016/j.bmcl.2017.03.014

Target ChEMBL ID: CHEMBL395
ChEMBL Target Name: HepG2
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
62.5	IC50	=	62500	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
53.7	IC50	=	53700	nM
100	IC50	>	100000	nM
82	IC50	=	82000	nM
5.1	IC50	=	5100	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：MCF7

External ID: CHEMBL4011317

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: 2017
Volume: 27
Issue: 8
First Page: 1665
Last Page: 1669
DOI: 10.1016/j.bmcl.2017.03.014

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
55.4	IC50	=	55400	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
58.2	IC50	=	58200	nM
100	IC50	>	100000	nM
79.7	IC50	=	79700	nM
5	IC50	=	5000	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：KB

External ID: CHEMBL4011314

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: 2017
Volume: 27
Issue: 8
First Page: 1665
Last Page: 1669
DOI: 10.1016/j.bmcl.2017.03.014

Target ChEMBL ID: CHEMBL398
ChEMBL Target Name: KB
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
64.8	IC50	=	64800	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
37.7	IC50	=	37700	nM
100	IC50	>	100000	nM
78	IC50	=	78000	nM
5.2	IC50	=	5200	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：Lu1

External ID: CHEMBL4011315

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: 2017
Volume: 27
Issue: 8
First Page: 1665
Last Page: 1669
DOI: 10.1016/j.bmcl.2017.03.014

Target ChEMBL ID: CHEMBL613290
ChEMBL Target Name: Lu1
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
60.1	IC50	=	60100	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
53.3	IC50	=	53300	nM
100	IC50	>	100000	nM
80.7	IC50	=	80700	nM
5.2	IC50	=	5200	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：Staphylococcus aureus

External ID: CHEMBL969469

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. Nat. Prod.
Year: 2008
Volume: 71
Issue: 4
First Page: 547
Last Page: 550
DOI: 10.1021/np070483l

Target ChEMBL ID: CHEMBL352
ChEMBL Target Name: Staphylococcus aureus
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
14.9	MIC	=	14900	nM
69.6	MIC	=	69600	nM

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

来源：ChEMBL 靶标：HT-29

External ID: CHEMBL4235011

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
Year: 2018
Volume: 26
Issue: 15
First Page: 4452
Last Page: 4460
DOI: 10.1016/j.bmc.2018.07.025

Target ChEMBL ID: CHEMBL384
ChEMBL Target Name: HT-29
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
	IC50	=	11.1	ug.mL-1
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
0.009	IC50	=	9	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM

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

来源：ChEMBL 靶标：MDA-MB-435

External ID: CHEMBL4235013

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
Year: 2018
Volume: 26
Issue: 15
First Page: 4452
Last Page: 4460
DOI: 10.1016/j.bmc.2018.07.025

Target ChEMBL ID: CHEMBL614697
ChEMBL Target Name: MDA-MB-435
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
	IC50	=	13.1	ug.mL-1
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
	IC50				Not Determined
0.013	IC50	=	13	nM
10	IC50	>	10000	nM
	IC50				Not Determined
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	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 immunodeficiency virus 1

External ID: CHEMBL1106812

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. Nat. Prod.
Year: 2009
Volume: 72
Issue: 9
First Page: 1620
Last Page: 1626
DOI: 10.1021/np900305j

Target ChEMBL ID: CHEMBL378
ChEMBL Target Name: Human immunodeficiency virus 1
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
	Activity				Not Active
	Activity				Not Active
	Activity				Not Active
	Activity				Not Active
	Activity				Not Active
	Activity				Not Active
12.6	IC50	=	12600	nM
	Activity				Not Active
	Inhibition			%	Not Active
	Inhibition			%	Not Active
	Inhibition			%	Not Active
	Activity				Not Active
	Activity				Not Active
	Activity				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：MDA-MB-231

External ID: CHEMBL4235012

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
Year: 2018
Volume: 26
Issue: 15
First Page: 4452
Last Page: 4460
DOI: 10.1016/j.bmc.2018.07.025

Target ChEMBL ID: CHEMBL400
ChEMBL Target Name: MDA-MB-231
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
5.9	IC50	=	5900	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
	IC50				Not Determined
	IC50				Not Determined
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
0.017	IC50	=	17	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM
10	IC50	>	10000	nM

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

来源：ChEMBL 靶标：Tyrosine-protein phosphatase non-receptor type 1

External ID: CHEMBL1106811

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. Nat. Prod.
Year: 2009
Volume: 72
Issue: 9
First Page: 1620
Last Page: 1626
DOI: 10.1021/np900305j

Target ChEMBL ID: CHEMBL335
ChEMBL Target Name: Protein-tyrosine phosphatase 1B
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	Activity Comment
4.2	IC50	=	4200	nM
	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：A2780

External ID: CHEMBL1106810

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. Nat. Prod.
Year: 2009
Volume: 72
Issue: 9
First Page: 1620
Last Page: 1626
DOI: 10.1021/np900305j

Target ChEMBL ID: CHEMBL614004
ChEMBL Target Name: A2780
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
	Activity				Not Active
	Activity				Not Active
	Activity				Not Active
	Activity				Not Active
	Activity				Not Active
	Activity				Not Active
	Activity				Not Active
	Activity				Not Active
	Activity				Not Active
	Activity				Not Active
	Activity				Not Active
	Activity				Not Active
	Activity				Not Active
	Activity				Not Active
	Activity				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：HepG2

External ID: CHEMBL5389779

Protocol: N/A

Comment: Journal: J Nat Prod
Year: 2024
Volume: 87
Issue: 4
First Page: 1036
Last Page: 1043
DOI: 10.1021/acs.jnatprod.3c01291

Target ChEMBL ID: CHEMBL395
ChEMBL Target Name: HepG2
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
Survival	=	61	%
Survival	=	61	%
Survival	=	61	%
Survival	=	61	%
Survival	=	60	%

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

来源：ChEMBL 靶标：NON-PROTEIN TARGET

External ID: CHEMBL972007

Protocol: N/A

Comment: Journal: J. Nat. Prod.
Year: 2006
Volume: 69
Issue: 11
First Page: 1543
Last Page: 1546
DOI: 10.1021/np060369n

Target ChEMBL ID: CHEMBL3879801
ChEMBL Target Name: NON-PROTEIN TARGET
ChEMBL Target Type: NON-MOLECULAR - Target has not been defined at a molecular level, only the non-molecular entity which is affected (e.g., organism, cell line etc)
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Activity				Not Active
Activity				Not Active
Activity				Not Active
Activity				Not Active
Activity				Not Active
IC50	=	3.8	ug.mL-1
Activity				Not Active
Activity				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：Solute carrier organic anion transporter family member 1B1

External ID: CHEMBL3039488

Protocol: N/A

Comment: Journal: Mol Pharmacol
Year: 2013
Volume: 83
Issue: 6
First Page: 1257
Last Page: 1267
DOI: 10.1124/mol.112.084152

Target ChEMBL ID: CHEMBL1697668
ChEMBL Target Name: Solute carrier organic anion transporter family member 1B1
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	=	65.85	%
Inhibition	=	63.37	%
Inhibition	=	75.25	%
Inhibition	=	97.38	%
Inhibition	=	105.26	%
Inhibition	=	97.94	%
Inhibition	=	105.32	%
Inhibition	=	99.4	%
Inhibition	=	101.01	%
Inhibition	=	86.27	%
Inhibition	=	80.06	%
Inhibition	=	89.01	%
Inhibition	=	120.91	%
Inhibition	=	102.46	%
Inhibition	=	101.26	%
Inhibition	=	90.74	%
Inhibition	=	113.76	%
Inhibition	=	82.92	%
Inhibition	=	126.2	%
Inhibition	=	116.63	%

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: CHEMBL972009

Protocol: N/A

Comment: Journal: J. Nat. Prod.
Year: 2006
Volume: 69
Issue: 11
First Page: 1543
Last Page: 1546
DOI: 10.1021/np060369n

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

Standard Type	Activity Comment
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	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：NON-PROTEIN TARGET

External ID: CHEMBL972008

Protocol: N/A

Comment: Journal: J. Nat. Prod.
Year: 2006
Volume: 69
Issue: 11
First Page: 1543
Last Page: 1546
DOI: 10.1021/np060369n

Target ChEMBL ID: CHEMBL3879801
ChEMBL Target Name: NON-PROTEIN TARGET
ChEMBL Target Type: NON-MOLECULAR - Target has not been defined at a molecular level, only the non-molecular entity which is affected (e.g., organism, cell line etc)
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Activity				Not Active
Activity				Not Active
Activity				Not Active
Activity				Not Active
Activity				Not Active
IC50	=	4.5	ug.mL-1
Activity				Not Active
Activity				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：A549

External ID: CHEMBL5551636

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
Year: 2024
Volume: 106
First Page: 117737
Last Page: 117737
DOI: 10.1016/j.bmc.2024.117737

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
1.9	IC50	=	1900	nM
34	IC50	=	34000	nM
9.8	IC50	=	9800	nM

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

来源：ChEMBL 靶标：DLD-1

External ID: CHEMBL5551637

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
Year: 2024
Volume: 106
First Page: 117737
Last Page: 117737
DOI: 10.1016/j.bmc.2024.117737

Target ChEMBL ID: CHEMBL614285
ChEMBL Target Name: DLD-1
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	Data Validity Comment
5.1	IC50	=	5100	nM
38	IC50	=	38000	nM
200	IC50	>	200000	nM	Outside typical range

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

来源：ChEMBL 靶标：Pseudomonas aeruginosa

External ID: CHEMBL4627901

Protocol: N/A

Comment: Journal: Bioorg Med Chem
Year: 2020
Volume: 28
Issue: 5
First Page: 115229
Last Page: 115229
DOI: 10.1016/j.bmc.2019.115229

Target ChEMBL ID: CHEMBL348
ChEMBL Target Name: Pseudomonas aeruginosa
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	=	80	%
Inhibition	<	20	%
Inhibition	>	90	%
Inhibition	>	90	%
Inhibition	>	90	%
Inhibition	<	20	%
Inhibition	=	70	%
Inhibition	=	30	%
Inhibition	=	90	%
Inhibition	=	90	%

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: CHEMBL5551638

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
Year: 2024
Volume: 106
First Page: 117737
Last Page: 117737
DOI: 10.1016/j.bmc.2024.117737

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
50	IC50	>	50000	nM
10	IC50	=	10000	nM
200	IC50	>	200000	nM	Outside typical range

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: CHEMBL972011

Protocol: N/A

Comment: Journal: J. Nat. Prod.
Year: 2006
Volume: 69
Issue: 11
First Page: 1543
Last Page: 1546
DOI: 10.1021/np060369n

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

Standard Type	Activity Comment
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active

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

来源：The Scripps Research Institute Molecular Screening Center 靶标：N/A

External ID: FBW7_ACT_ALPHA_1536_1X%ACT PRUN

Protocol: Assay Overview:
FBW7 assay principle. In this assay, either mutant or wild type (w.t.) FBW7 interact with phosphorylated cyclin E peptide (cycE~P), which will bring donor and acceptor beads into close proximity. Laser excitation of the donor beads converts oxygen to an excited singlet state. Reaction of the singlet oxygen with the acceptor beads further activates a chemiluminescence/fluorescence reaction within the same bead resulting in emitted light at 520-620 nm. Small molecule activators that enhance the mutant FBW7 interaction with the cycE~P decrease the distance of the acceptor beads, thus leading to increased signal being emitted signal.
Protocol Summary:
There are six steps in this 1536 well assay format which are listed in order. First, 2.5uL/well of a 2X working solution containing RLFbw7 [12.5nM final], Cyclin E peptide [12.5nM final], and Ni beads [5ug/mL final], in assay buffer (25mM Tris-HCl pH 7.4 + 100mM NaCl, 0.1% Tween-20, 5mM ?-Mercaptoethanol and 0.05% BSA) was dispensed into columns 1-44. Then 2.5uL/well of a 2X working solution containing WTFbw7 [12.5nM final], Cyclin E peptide [12.5nM final], and Ni beads [5ug/mL final], in assay buffer was dispensed into columns 45-48. Using the pintool transfer device 134nL of compound or control was added to each well. This achieved a nominal screening concentration of 26.1uM and 2.6% DMSO concentration. This was followed by the addition of SA beads to all wells at 5ug/mL final concentration in assay buffer. The assay was then incubated for 20 hours in a temperature controlled 25C environment followed by Alphascreen detection using the PerkinElmer EnVision.

The percent activation for each compound was calculated as follows:

100 *( ( Test_Compound - Median_Low_Control ) / ( Median_High_Control - Median_Low_Control ) )
Where:
Test_Compound is defined as wells containing RLFbw7 (mutant), cyclin E peptide and Nickel acceptor beads in the presence of test compound
High_Control is defined as wells containing WTFbw7 (wild type), cyclin E peptide and Nickel acceptor beads
Low_Control is defined as the median of the wells containing DMSO, RLFbw7 (mutant), cyclin E peptide and Nickel acceptor beads
PubChem Activity Outcome and Score:

A mathematical algorithm was used to determine active compounds. Two values were calculated: (1) the average percent activation of all compounds tested for the screen, and (2) three times their standard deviation. The sum of these two values was used as a cutoff parameter, i.e. any compound that exhibited greater percent activation than the cutoff parameter (1.85% in the case here) was declared active.
The reported PubChem Activity Score has been normalized to 100% observed primary inhibition. Negative % inhibition values are reported as activity score zero.
The activity score range for active compounds is 100-1, for inactive 1-0.
List of Reagents:
Ni Beads- PerkinEmer Lifesciences Cat#6760619R
RLFbw7-Assay Provider
WTFbw7-Assay Provider
Cyclin E peptide-Assay Provider
5M NaCl- Sigma Cat# S6546-1L
Tween20- Fisher Cat# BP337
Tris 1M pH7.4 Research Organics Cat# 9686T
BSA-Sigma Cat#A7030
?-Mercaptoethanol-SigmaM6250
1536-well plates (Corning, part 7254)

Comment: Due to the size of the Scripps Molecular Screening Center compound library, this assay may have been run as two or more separate campaigns, each campaign testing a unique set of compounds. All data reported were normalized on a per-plate basis. Possible artifacts of this assay can include, but are not limited to: dust or lint located in or on wells of the microtiter plate, compounds that modulate well fluorescence. All test compound concentrations reported above and below are nominal; the specific test concentration(s) for a particular compound may vary based upon the actual sample provided by the Scripps Molecular Screening Center.

Inhibition at 26.1 uM
1.22
1.22
1.22
1.22
1.21
1.21
1.21
1.21
1.21
1.21
1.21
1.21
1.21
1.21
1.21
1.21
1.21
1.21
1.21
1.21

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

来源：ChEMBL 靶标：MDA-MB-231

External ID: CHEMBL972010

Protocol: N/A

Comment: Journal: J. Nat. Prod.
Year: 2006
Volume: 69
Issue: 11
First Page: 1543
Last Page: 1546
DOI: 10.1021/np060369n

Target ChEMBL ID: CHEMBL400
ChEMBL Target Name: MDA-MB-231
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	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	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：B16

External ID: CHEMBL961867

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 Nat Prod
Year: 2002
Volume: 65
Issue: 5
First Page: 645
Last Page: 648
DOI: 10.1021/np0104673

Target ChEMBL ID: CHEMBL381
ChEMBL Target Name: B16
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
2.5	ED50	=	2.5	uM
9.9	ED50	=	9.9	uM
3.4	ED50	=	3.4	uM
50	ED50	>	50	uM
50	ED50	>	50	uM
0.35	ED50	=	0.35	uM
50	ED50	>	50	uM
50	ED50	>	50	uM
7.5	ED50	=	7.5	uM
0.13	ED50	=	0.13	uM
50	ED50	>	50	uM
0.19	ED50	=	0.19	uM
3.3	ED50	=	3.3	uM
50	ED50	>	50	uM

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

来源：ChEMBL 靶标：B16

External ID: CHEMBL961866

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. Nat. Prod.
Year: 2002
Volume: 65
Issue: 5
First Page: 645
Last Page: 648
DOI: 10.1021/np0104673

Target ChEMBL ID: CHEMBL381
ChEMBL Target Name: B16
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
4.9	IC50	=	4900	nM
38	IC50	=	38000	nM
4.8	IC50	=	4800	nM
3.1	IC50	=	3100	nM
36.8	IC50	=	36800	nM
46.8	IC50	=	46800	nM
33.4	IC50	=	33400	nM
25.4	IC50	=	25400	nM
48.8	IC50	=	48800	nM
50	IC50	=	50000	nM
22.7	IC50	=	22700	nM
5.6	IC50	=	5600	nM
38.7	IC50	=	38700	nM
29.3	IC50	=	29300	nM
6.4	IC50	=	6400	nM
40.3	IC50	=	40300	nM
6.4	IC50	=	6400	nM
5.5	IC50	=	5500	nM

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

来源：ChEMBL 靶标：11-beta-hydroxysteroid dehydrogenase 1

External ID: CHEMBL1072762

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.
Year: 2010
Volume: 18
Issue: 4
First Page: 1507
Last Page: 1515
DOI: 10.1016/j.bmc.2010.01.010

Target ChEMBL ID: CHEMBL4235
ChEMBL Target Name: 11-beta-hydroxysteroid dehydrogenase 1
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	Activity Comment
	Inhibition				Dose-dependent effect
	IC50				Not Active
	IC50				Not Active
	IC50				Not Active
5.2	IC50	=	5200	nM
9.4	IC50	=	9400	nM
	IC50				Not Active
	IC50				Not Active
1.35	IC50	=	1350	nM

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

来源：ChEMBL 靶标：HCT-116

External ID: CHEMBL4623534

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
Year: 2020
Volume: 28
Issue: 11
First Page: 115527
Last Page: 115527
DOI: 10.1016/j.bmc.2020.115527

Target ChEMBL ID: CHEMBL394
ChEMBL Target Name: HCT-116
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
51	GI50	=	51000	nM
100	GI50	>	100000	nM
37	GI50	=	37000	nM
21	GI50	=	21000	nM
5.3	GI50	=	5300	nM
100	GI50	>	100000	nM
29	GI50	=	29000	nM
51	GI50	=	51000	nM
22	GI50	=	22000	nM
68	GI50	=	68000	nM
22	GI50	=	22000	nM
35	GI50	=	35000	nM

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

来源：NIAID 靶标：N/A

External ID: HIV Enzyme Data

Protocol: N/A

Comment: N/A

Species	Strain	IsPseudotypeVirus	AssayMeth	Target	IC50Mod	IC50	IC50Unit	Ki	KiUnit	Reference	Citation
			3' PROCESSING	Integrase	>	100	uM			18662877	EFFICIENT SYNTHESIS AND UTILIZATION OF PHENYL-SUBSTITUTED HETEROAROMATIC CARBOXYLIC ACIDS AS ARYL DIKETO ACID ISOSTERES IN THE DESIGN OF NOVEL HIV-1 INTEGRASE INHIBITORS. Bioorganic & Medical Chemistry Letters 2008, 18(16), 4521-4.
			3' PROCESSING	Integrase	>	100	uM			18662877	EFFICIENT SYNTHESIS AND UTILIZATION OF PHENYL-SUBSTITUTED HETEROAROMATIC CARBOXYLIC ACIDS AS ARYL DIKETO ACID ISOSTERES IN THE DESIGN OF NOVEL HIV-1 INTEGRASE INHIBITORS. Bioorganic & Medical Chemistry Letters 2008, 18(16), 4521-4.
			3' PROCESSING	Integrase	>	100	uM			18662877	EFFICIENT SYNTHESIS AND UTILIZATION OF PHENYL-SUBSTITUTED HETEROAROMATIC CARBOXYLIC ACIDS AS ARYL DIKETO ACID ISOSTERES IN THE DESIGN OF NOVEL HIV-1 INTEGRASE INHIBITORS. Bioorganic & Medical Chemistry Letters 2008, 18(16), 4521-4.
			STRAND TRANSFER	Integrase	>	100	uM			18662877	EFFICIENT SYNTHESIS AND UTILIZATION OF PHENYL-SUBSTITUTED HETEROAROMATIC CARBOXYLIC ACIDS AS ARYL DIKETO ACID ISOSTERES IN THE DESIGN OF NOVEL HIV-1 INTEGRASE INHIBITORS. Bioorganic & Medical Chemistry Letters 2008, 18(16), 4521-4.
	HIV-1		dTTP incorporation assay by liquid scintillation	Reverse transcriptase				6.2	uM	19442130	CHARACTERIZATION OF HIV-1 ENZYME REVERSE TRANSCRIPTASE INHIBITION BY THE COMPOUND 6-CHLORO-1,4-DIHYDRO-4-OXO-1-(BETA-D-RIBOFURANOSYL) QUINOLINE-3-CARBOXYLIC ACID THROUGH KINETIC AND IN SILICO STUDIES. Current HIV Research 2009, 7(3), 327-335.
	HIV-1		dTTP incorporation assay by liquid scintillation	Reverse transcriptase				5.3	uM	19442130	CHARACTERIZATION OF HIV-1 ENZYME REVERSE TRANSCRIPTASE INHIBITION BY THE COMPOUND 6-CHLORO-1,4-DIHYDRO-4-OXO-1-(BETA-D-RIBOFURANOSYL) QUINOLINE-3-CARBOXYLIC ACID THROUGH KINETIC AND IN SILICO STUDIES. Current HIV Research 2009, 7(3), 327-335.
	HIV-1		dTTP incorporation assay by liquid scintillation	Reverse transcriptase				5	uM	19442130	CHARACTERIZATION OF HIV-1 ENZYME REVERSE TRANSCRIPTASE INHIBITION BY THE COMPOUND 6-CHLORO-1,4-DIHYDRO-4-OXO-1-(BETA-D-RIBOFURANOSYL) QUINOLINE-3-CARBOXYLIC ACID THROUGH KINETIC AND IN SILICO STUDIES. Current HIV Research 2009, 7(3), 327-335.
HIV-1		N	standard reverse transcriptase assay	Reverse transcriptase		50	ug/mL				SYNTHESIS AND HIV-1 REVERSE TRANSCRIPTASE INHIBITION ACTIVITY OF 1,4-NAPHTHOQUINONE DERIVATIVES. Chemistry of Natural Compounds 2012, 47(6), 883-887.
			STRAND TRANSFER	Integrase	>	100	uM			18805696	DISCOVERY OF 3-ACETYL-4-HYDROXY-2-PYRANONE DERIVATIVES AND THEIR DIFLUORIDOBORATE COMPLEXES AS A NOVEL CLASS OF HIV-1 INTEGRASE INHIBITORS. Bioorganic & Medical Chemistry 2008, 16(19), 8988-98.
			STRAND TRANSFER	Integrase	>	100	uM			18805696	DISCOVERY OF 3-ACETYL-4-HYDROXY-2-PYRANONE DERIVATIVES AND THEIR DIFLUORIDOBORATE COMPLEXES AS A NOVEL CLASS OF HIV-1 INTEGRASE INHIBITORS. Bioorganic & Medical Chemistry 2008, 16(19), 8988-98.
			3'-PROCESSING	Integrase	>	100	uM			18805696	DISCOVERY OF 3-ACETYL-4-HYDROXY-2-PYRANONE DERIVATIVES AND THEIR DIFLUORIDOBORATE COMPLEXES AS A NOVEL CLASS OF HIV-1 INTEGRASE INHIBITORS. Bioorganic & Medical Chemistry 2008, 16(19), 8988-98.
	HIV-1		STRAND TRANSFER	Integrase		0.015	uM			19523819	N-(4-FLUOROBENZYL)-3-HYDROXY-9;9-DIMETHYL-4-OXO-6;7;8;9-TETRAHYDRO-4H-PYRAZINO[1;2-A]PYRIMIDINE-2-CARBOXAMIDES A NOVEL CLASS OF POTENT HIV-1 INTEGRASE INHIBITORS. Bioorganic & Medical Chemistry Letters 2009, 19, 4245-9.
	HIV-1		HPLC	Protease		5.8	uM			18543149	INHIBITION OF HIV-1 PROTEASE AND RNASE H OF HIV-1 REVERSE TRANSCRIPTASE ACTIVITIES BY LONG CHAIN PHENOLS FROM THE SARCOTESTAS OF GINKGO BILOBA. Planta Medica 2008, 74(5), 532-534.
	HIV-1		RNASE H OF HIV-1 REVERSE TRANSCRIPTASE ASSAY	Reverse transcriptase		170.3	uM			18543149	INHIBITION OF HIV-1 PROTEASE AND RNASE H OF HIV-1 REVERSE TRANSCRIPTASE ACTIVITIES BY LONG CHAIN PHENOLS FROM THE SARCOTESTAS OF GINKGO BILOBA. Planta Medica 2008, 74(5), 532-534.
	HIV-1		HPLC	Protease		10.2	uM			18543149	INHIBITION OF HIV-1 PROTEASE AND RNASE H OF HIV-1 REVERSE TRANSCRIPTASE ACTIVITIES BY LONG CHAIN PHENOLS FROM THE SARCOTESTAS OF GINKGO BILOBA. Planta Medica 2008, 74(5), 532-534.
	HIV-1		RNASE H OF HIV-1 REVERSE TRANSCRIPTASE ASSAY	Reverse transcriptase		33.7	uM			18543149	INHIBITION OF HIV-1 PROTEASE AND RNASE H OF HIV-1 REVERSE TRANSCRIPTASE ACTIVITIES BY LONG CHAIN PHENOLS FROM THE SARCOTESTAS OF GINKGO BILOBA. Planta Medica 2008, 74(5), 532-534.
	HIV-1		HPLC	Protease		24.9	uM			18543149	INHIBITION OF HIV-1 PROTEASE AND RNASE H OF HIV-1 REVERSE TRANSCRIPTASE ACTIVITIES BY LONG CHAIN PHENOLS FROM THE SARCOTESTAS OF GINKGO BILOBA. Planta Medica 2008, 74(5), 532-534.
	HIV-1		3'-processing	Integrase	>	100	uM				COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS. . Patent 2009, , .
	HIV-1		Strand Transfer	Integrase	>	100	uM				COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS. . Patent 2009, , .
	HIV-1		3'-processing	Integrase	>	100	uM				COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS. . Patent 2009, , .

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: CHEMBL4623533

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
Year: 2020
Volume: 28
Issue: 11
First Page: 115527
Last Page: 115527
DOI: 10.1016/j.bmc.2020.115527

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	GI50	>	100000	nM
100	GI50	>	100000	nM
45	GI50	=	45000	nM
48	GI50	=	48000	nM
57	GI50	=	57000	nM
100	GI50	>	100000	nM
22	GI50	=	22000	nM
91	GI50	=	91000	nM
43	GI50	=	43000	nM
36	GI50	=	36000	nM
59	GI50	=	59000	nM
35	GI50	=	35000	nM

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: CHEMBL953628

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. Nat. Prod.
Year: 2004
Volume: 67
Issue: 10
First Page: 1697
Last Page: 1700
DOI: 10.1021/np040059+

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

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
32	IC50	>	32000	nM
16	IC50	=	16000	nM
4	IC50	=	4000	nM
32	IC50	>	32000	nM

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

来源：ChEMBL 靶标：PANC-1

External ID: CHEMBL4625455

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: 2020
Volume: 30
Issue: 16
First Page: 127352
Last Page: 127352
DOI: 10.1016/j.bmcl.2020.127352

Target ChEMBL ID: CHEMBL614139
ChEMBL Target Name: PANC-1
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
20.5	PC50	=	20.5	uM
13.7	PC50	=	13.7	uM
0.7	PC50	=	0.7	uM
5.2	PC50	=	5.2	uM
0.2	PC50	=	0.2	uM
	PC50				Not Determined
0.4	PC50	=	0.4	uM
3.0E-4	PC50	=	3.0E-4	uM

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

来源：ChEMBL 靶标：Solute carrier organic anion transporter family member 1B3

External ID: CHEMBL3039491

Protocol: N/A

Comment: Journal: Mol Pharmacol
Year: 2013
Volume: 83
Issue: 6
First Page: 1257
Last Page: 1267
DOI: 10.1124/mol.112.084152

Target ChEMBL ID: CHEMBL1743121
ChEMBL Target Name: Solute carrier organic anion transporter family member 1B3
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
Inhibition	=	89.51	%
Inhibition	=	81.71	%
Inhibition	=	65.47	%
Inhibition	=	50.32	%
Inhibition	=	112.43	%
Inhibition	=	99.94	%
Inhibition	=	101.75	%
Inhibition	=	98.72	%
Inhibition	=	104.08	%
Inhibition	=	114.2	%
Inhibition	=	97.5	%
Inhibition	=	120.61	%
Inhibition	=	45.56	%
Inhibition	=	105.72	%
Inhibition	=	107.28	%
Inhibition	=	93.09	%
Inhibition	=	84.51	%
Inhibition	=	155.79	%	Outside typical range
Inhibition	=	97.26	%
Inhibition	=	72.91	%

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

来源：ChEMBL 靶标：Tyrosyl-DNA phosphodiesterase 1

External ID: CHEMBL4623537

Protocol: N/A

Comment: Journal: Bioorg Med Chem
Year: 2020
Volume: 28
Issue: 11
First Page: 115527
Last Page: 115527
DOI: 10.1016/j.bmc.2020.115527

Target ChEMBL ID: CHEMBL1075138
ChEMBL Target Name: Tyrosyl-DNA phosphodiesterase 1
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	Activity Comment
Inhibition				Not Active
Inhibition	=	20	%
Inhibition	=	20	%
Inhibition	=	20	%
Inhibition	=	20	%
Inhibition	=	20	%
Inhibition	=	20	%
Inhibition				Not Active
Inhibition				Not Active
Inhibition	=	20	%
Inhibition	=	20	%
Inhibition	=	20	%

545-46-0 靶点实验数据