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: CHEMBL4256439

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2018
Volume: 9
Issue: 4
First Page: 359
Last Page: 364
DOI: 10.1021/acsmedchemlett.7b00548

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	<	50	%
Inhibition	<	50	%
Inhibition	<	50	%
Inhibition	<	50	%
Inhibition	<	50	%
Inhibition	<	50	%
Inhibition	<	50	%
Inhibition	<	50	%
Inhibition	<	50	%
Inhibition	<	50	%

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: CHEMBL4256443

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2018
Volume: 9
Issue: 4
First Page: 359
Last Page: 364
DOI: 10.1021/acsmedchemlett.7b00548

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	<	50	%
Inhibition	<	50	%
Inhibition	<	50	%
Inhibition	<	50	%
Inhibition	<	50	%

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: CHEMBL4256442

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: ACS Med Chem Lett
Year: 2018
Volume: 9
Issue: 4
First Page: 359
Last Page: 364
DOI: 10.1021/acsmedchemlett.7b00548

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.08	IC50	=	80	nM
0.22	IC50	=	220	nM
0.28	IC50	=	280	nM
0.11	IC50	=	110	nM
0.08	IC50	=	80	nM
0.6	IC50	=	600	nM
0.16	IC50	=	160	nM
0.32	IC50	=	320	nM
0.31	IC50	=	310	nM
0.1	IC50	=	100	nM
0.05	IC50	=	50	nM
0.1	IC50	=	100	nM
0.03	IC50	=	30	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: CHEMBL4256444

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2018
Volume: 9
Issue: 4
First Page: 359
Last Page: 364
DOI: 10.1021/acsmedchemlett.7b00548

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	<	50	%
Inhibition	<	50	%
Inhibition	<	50	%
Inhibition	<	50	%
Inhibition	<	50	%
Inhibition	<	50	%
Inhibition	<	50	%

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: CHEMBL954414

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2009
Volume: 19
Issue: 6
First Page: 1749
Last Page: 1752
DOI: 10.1016/j.bmcl.2009.01.083

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
1000	ED50	>	1	mM
1000	ED50	>	1	mM
1000	ED50	>	1	mM

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

来源：ChEMBL 靶标：Beta-lactamase

External ID: CHEMBL652632

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: 2000
Volume: 10
Issue: 19
First Page: 2179
Last Page: 2182
DOI: 10.1016/s0960-894x(00)00444-3

Target ChEMBL ID: CHEMBL2725
ChEMBL Target Name: Beta-lactamase
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	Data Validity Comment
50	IC50	>	50000	nM
0.45	IC50	=	450	nM
62	IC50	=	62000	nM
2.6	IC50	=	2600	nM
700	IC50	>	700000	nM	Outside typical range
435	IC50	=	435000	nM	Outside typical range
700	IC50	>	700000	nM	Outside typical range
700	IC50	>	700000	nM	Outside typical range
500	IC50	=	500000	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：N/A

External ID: CHEMBL954412

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2009
Volume: 19
Issue: 6
First Page: 1749
Last Page: 1752
DOI: 10.1016/j.bmcl.2009.01.083

Standard Type	Standard Relation	Standard Value	Standard Units
Activity	=	42	%
Activity	=	10	%
Activity	=	23	%
Activity	=	90	%
Activity	=	73	%
Activity	=	86	%

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: CHEMBL954413

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2009
Volume: 19
Issue: 6
First Page: 1749
Last Page: 1752
DOI: 10.1016/j.bmcl.2009.01.083

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
492	ED50	=	492	uM
107	ED50	=	107	uM
427	ED50	=	427	uM
1000	ED50	>	1000	uM

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

来源：ChEMBL 靶标：1-deoxy-D-xylulose 5-phosphate reductoisomerase

External ID: CHEMBL3376289

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2014
Volume: 22
Issue: 14
First Page: 3713
Last Page: 3719
DOI: 10.1016/j.bmc.2014.05.004

Target ChEMBL ID: CHEMBL4091
ChEMBL Target Name: 1-deoxyxylulose-5-phosphate reductoisomerase
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	<	5	%

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

来源：ChEMBL 靶标：Beta-lactamase TEM

External ID: CHEMBL4121766

Protocol: N/A

Comment: Journal: Bioorg Med Chem
Year: 2018
Volume: 26
Issue: 11
First Page: 2928
Last Page: 2936
DOI: 10.1016/j.bmc.2018.02.043

Target ChEMBL ID: CHEMBL2364670
ChEMBL Target Name: Bacterial beta-lactamase TEM
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 Units	Activity Comment
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：1-deoxy-D-xylulose 5-phosphate reductoisomerase

External ID: CHEMBL3376291

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2014
Volume: 22
Issue: 14
First Page: 3713
Last Page: 3719
DOI: 10.1016/j.bmc.2014.05.004

Target ChEMBL ID: CHEMBL4091
ChEMBL Target Name: 1-deoxyxylulose-5-phosphate reductoisomerase
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	Activity Comment
Inhibition				Not Determined

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

来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School 靶标：HCMV UL50

External ID: HMS1262

Protocol: NEC is stored at -80 degrees at a concentration of 15mg/ml in single use aliquots.

On the day of the screen, 20ul of purified NEC is aliquoted using a Multidrop Combi reagent dispenser into 384 well plates (Corning 3824). 100nl of compound dissolved in DMSO was transferred to each well of the assay plated via pin transfer. The plates (NEC + compound) are incubated at room temperature for 3 hours. Acceptor and donor reagents (CisBio 620/665 pair) are combined then added to each well at 5 microL volumes at a concentration of 8 nM and 80nM respectively. The plates are spun at 1k rpm for 1 min and incubated overnight at 4 degrees, then for one hour the subsequent day at room temperature.

Flourescent measurements are read on the Envision 1 plate reader at ICCB-L. The raw data consists of two fluorescence readings - at 665 nm and 620 nm for the acceptor and donor respectively.

Comment: Data analysis:
The raw data consists of two fluorescence readings - at 665 and 620 nm for the acceptor and donor respectively. The data is processed as a ratio of the emission from the acceptor over the donor (homogeneous time resolved fluorescence ratio). Normalized percent inhibition (NPI) for all experimental wells is calculated based on plate averages for negative and positive control HTRF ratio. Positives are scored as any ratio with a 50% or greater inhibition as compared with the positive control (i.e. NEC + Untagged UL50). To be considered a hit, both replicates need to score as positive. Activity scores are derived from NPI, with 100 = 100% inhibition (> 100% set to 100) and 0 = no inhibition (< 0% set to 0). Note that some compounds with NPI <50% (activity scores < 50) are classified as potential hits based on additional criteria (typically by selecting wells with low ratios compared to other experimental wells on the plate).

HTRF-Ratio_Avg.NPI	HTRF-Ch1_A	HTRF-Ch2_A	HTRF-Ratio_A	HTRF-Ch1_B	HTRF-Ch2_B	HTRF-Ratio_B	HTRF-Ratio_Avg
2.3	17638	7444	23694	17895	7063	25336	24515
4.8	17347	7312	23724	17257	7071	24405	24064.5
4.2	17868	7517	23770	18158	7395	24554	24162
17.3	11844	7012	16891	13204	6392	20657	18774
6.6	12258	6577	18638	14321	6502	22026	20332
18.1	11561	6789	17029	13512	6666	20270	18649.5
-3.9	11113	5694	19517	11959	4942	24199	21858
10.3	12215	6757	18078	13988	6506	21500	19789
-20.7	10425	4592	22703	11876	4585	25902	24302.5
14.4	12356	6766	18262	13858	6888	20119	19190.5
5.8	12868	6545	19661	14017	6600	21238	20449.5
15.8	12205	6703	18208	13470	6818	19757	18982.5
3.2	11742	5785	20297	12927	6054	21353	20825
10.3	12241	6415	19082	13490	6587	20480	19781
-2.3	10948	5353	20452	12530	5499	22786	21619
9.1	12644	6696	18883	13920	6620	21027	19955
8.7	13443	7082	18982	14453	6863	21059	20020.5
-27	10044	4376	22952	11409	4149	27498	25225
10	11550	6340	18218	13279	6196	21432	19825
3.7	10765	5590	19258	12467	5606	22239	20748.5

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

来源：ChEMBL 靶标：Malate dehydrogenase

External ID: CHEMBL3379868

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2014
Volume: 22
Issue: 14
First Page: 3713
Last Page: 3719
DOI: 10.1016/j.bmc.2014.05.004

Target ChEMBL ID: CHEMBL4255
ChEMBL Target Name: Malate dehydrogenase
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	<	5	%

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

来源：ChEMBL 靶标：Beta-lactamase OXA-10

External ID: CHEMBL4121769

Protocol: N/A

Comment: Journal: Bioorg Med Chem
Year: 2018
Volume: 26
Issue: 11
First Page: 2928
Last Page: 2936
DOI: 10.1016/j.bmc.2018.02.043

Target ChEMBL ID: CHEMBL5482
ChEMBL Target Name: Beta-lactamase OXA-10
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 Units	Activity Comment
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：Beta-lactamase

External ID: CHEMBL4121767

Protocol: N/A

Comment: Journal: Bioorg Med Chem
Year: 2018
Volume: 26
Issue: 11
First Page: 2928
Last Page: 2936
DOI: 10.1016/j.bmc.2018.02.043

Target ChEMBL ID: CHEMBL6131
ChEMBL Target Name: Beta-lactamase CTX-M
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 Units	Activity Comment
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：Beta-lactamase

External ID: CHEMBL4121768

Protocol: N/A

Comment: Journal: Bioorg Med Chem
Year: 2018
Volume: 26
Issue: 11
First Page: 2928
Last Page: 2936
DOI: 10.1016/j.bmc.2018.02.043

Target ChEMBL ID: CHEMBL2026
ChEMBL Target Name: Beta-lactamase AmpC
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 Units	Activity Comment
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：N/A

External ID: CHEMBL4121749

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: 11
First Page: 2928
Last Page: 2936
DOI: 10.1016/j.bmc.2018.02.043

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
50	IC50	>	50000	nM
6.2	IC50	=	6200	nM
0.3	IC50	=	300	nM
2	IC50	=	2000	nM
0.4	IC50	=	400	nM
47.6	IC50	=	47600	nM
0.03	IC50	=	30	nM
0.4	IC50	=	400	nM
50	IC50	>	50000	nM
0.8	IC50	=	800	nM
41.7	IC50	=	41700	nM
2.6	IC50	=	2600	nM
50	IC50	>	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：N/A

External ID: CHEMBL4256454

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2018
Volume: 9
Issue: 4
First Page: 359
Last Page: 364
DOI: 10.1021/acsmedchemlett.7b00548

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	8	ug.mL-1
MIC	=	8	ug.mL-1
MIC	=	8	ug.mL-1
MIC	=	8	ug.mL-1
MIC	=	8	ug.mL-1
MIC	=	16	ug.mL-1
MIC	=	8	ug.mL-1
MIC	=	8	ug.mL-1
MIC	=	8	ug.mL-1
MIC	=	8	ug.mL-1
MIC	=	16	ug.mL-1
MIC	=	8	ug.mL-1
MIC	=	8	ug.mL-1
MIC	=	8	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: CHEMBL4121747

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: 11
First Page: 2928
Last Page: 2936
DOI: 10.1016/j.bmc.2018.02.043

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
50	IC50	>	50000	nM
22.6	IC50	=	22600	nM
0.2	IC50	=	200	nM
7.6	IC50	=	7600	nM
0.3	IC50	=	300	nM
46.5	IC50	=	46500	nM
0.01	IC50	=	10	nM
0.8	IC50	=	800	nM
31.5	IC50	=	31500	nM
0.3	IC50	=	300	nM
1.3	IC50	=	1300	nM
1.6	IC50	=	1600	nM
32.5	IC50	=	32500	nM

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

来源：ChEMBL 靶标：Metallo-beta-lactamase type 2

External ID: CHEMBL4121748

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: 11
First Page: 2928
Last Page: 2936
DOI: 10.1016/j.bmc.2018.02.043

Target ChEMBL ID: CHEMBL4295695
ChEMBL Target Name: Metallo-beta-lactamase type 2
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
50	IC50	>	50000	nM
26.3	IC50	=	26300	nM
0.2	IC50	=	200	nM
50	IC50	>	50000	nM
0.7	IC50	=	700	nM
27	IC50	=	27000	nM
0.07	IC50	=	70	nM
2.4	IC50	=	2400	nM
50	IC50	>	50000	nM
2	IC50	=	2000	nM
3	IC50	=	3000	nM
3.5	IC50	=	3500	nM
50	IC50	>	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：N/A

External ID: CHEMBL4121745

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: 11
First Page: 2928
Last Page: 2936
DOI: 10.1016/j.bmc.2018.02.043

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
50	IC50	>	50000	nM
50	IC50	>	50000	nM
28.4	IC50	=	28400	nM
50	IC50	>	50000	nM
7.9	IC50	=	7900	nM
50	IC50	>	50000	nM
0.6	IC50	=	600	nM
8.2	IC50	=	8200	nM
48.9	IC50	=	48900	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM
40.1	IC50	=	40100	nM
50	IC50	>	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：N/A

External ID: CHEMBL4256451

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2018
Volume: 9
Issue: 4
First Page: 359
Last Page: 364
DOI: 10.1021/acsmedchemlett.7b00548

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	8	ug.mL-1
MIC	=	1	ug.mL-1
MIC	=	2	ug.mL-1
MIC	=	8	ug.mL-1
MIC	=	8	ug.mL-1
MIC	=	4	ug.mL-1
MIC	=	4	ug.mL-1
MIC	=	4	ug.mL-1
MIC	=	8	ug.mL-1
MIC	=	8	ug.mL-1
MIC	=	16	ug.mL-1
MIC	=	4	ug.mL-1
MIC	=	1	ug.mL-1
MIC	=	2	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: CHEMBL4121746

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: 11
First Page: 2928
Last Page: 2936
DOI: 10.1016/j.bmc.2018.02.043

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
39.7	IC50	=	39700	nM
42.7	IC50	=	42700	nM
0.2	IC50	=	200	nM
9.8	IC50	=	9800	nM
0.3	IC50	=	300	nM
8.8	IC50	=	8800	nM
0.01	IC50	=	10	nM
0.6	IC50	=	600	nM
50	IC50	>	50000	nM
0.1	IC50	=	100	nM
1.3	IC50	=	1300	nM
1.5	IC50	=	1500	nM
36.6	IC50	=	36600	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: CHEMBL4256453

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2018
Volume: 9
Issue: 4
First Page: 359
Last Page: 364
DOI: 10.1021/acsmedchemlett.7b00548

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	2	ug.mL-1
MIC	=	1	ug.mL-1
MIC	=	1	ug.mL-1
MIC	=	2	ug.mL-1
MIC	=	2	ug.mL-1
MIC	=	4	ug.mL-1
MIC	=	2	ug.mL-1
MIC	=	2	ug.mL-1
MIC	=	2	ug.mL-1
MIC	=	2	ug.mL-1
MIC	=	2	ug.mL-1
MIC	=	1	ug.mL-1
MIC	=	1	ug.mL-1
MIC	=	2	ug.mL-1

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

来源：DTP/NCI 靶标：N/A

External ID: MCF7_OneDose

Protocol: NCI-60 Human Tumor Cell Lines Screen was performed using the standard one-dose NCI protocol, which is described in more detail at https://dtp.cancer.gov/discovery_development/nci-60/default.htm.

Compounds with GIPRCNT values below 10 were considered active. Activity score was based on GIPRCNT using the following formula:
max(-GIPRCNT/2 + 50, 0)
Score is 0 for GIPRCNT values of 100 or above, 50 for GIPRCNT values of 0, and 100 for GIPRCNT values of -100.

Comment: These data are a subset of the data from the NCI human tumor cell line screen. Compounds are identified by the NCI National Service Center (NSC) number, which is contained in the
PUBCHEM_EXT_DATASOURCE_REGID field. In the NCI cell line identification system, MCF7 is panel number 5, cell number 1. PANELCODE or PANELNAME identify the NCI-60 cell panel. PANELNBR does NOT identify the NCI-60 panel.

EXPID is the NCI internal tracking number for the experiment identifier, and PREFIX = 'S' for the NSCs submitted through the NCI Chemical Agents repository.

Substance concentration unit is indicated in the data table, using the following abbreviations: M = molar (M), u = micrograms/milliliter (microg/mL), V = volumetric fraction.

M_GIPRCNT represents the mean growth percent for that experiment, and N_GIPRCNT indicates the number of values for that NSC within an experiment, while STDEV_GIPRCNT is the standard deviation. Most NSCs are tested once per experiment, resulting in EXP_COUNT = 1.

EXPID	PREFIX	CONCENTRATION_UNIT	CONCENTRATION	PANELNBR	CELLNBR	PANELNAME	CELLNAME	PANELCODE	M_GIPRCNT	N_GIPRCNT	EXP_COUNT
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	88.231	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	87.1119	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	14.4371	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	89.7113	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	97.2463	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	90.0129	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	85.7031	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	30.8539	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	14.2896	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	85.8526	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	83.1036	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	84.2194	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	89.3237	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	85.6034	1	1
2106OS49	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	89.6643	1	1
2106OS52	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	91.2503	1	1
2106OS52	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	94.8714	1	1
2106OS52	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	93.7372	1	1
2106OS52	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	112.6132	1	1
2106OS52	S	M	1.0E-5	5	1	Breast Cancer	MCF7	BRE	73.375	1	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: CHEMBL4256452

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2018
Volume: 9
Issue: 4
First Page: 359
Last Page: 364
DOI: 10.1021/acsmedchemlett.7b00548

Standard Type	Standard Relation	Standard Value	Standard Units
MIC	=	256	ug.mL-1
MIC	=	512	ug.mL-1
MIC	=	256	ug.mL-1
MIC	=	512	ug.mL-1
MIC	=	512	ug.mL-1
MIC	=	256	ug.mL-1
MIC	=	256	ug.mL-1
MIC	=	512	ug.mL-1
MIC	=	512	ug.mL-1
MIC	=	512	ug.mL-1
MIC	=	256	ug.mL-1
MIC	=	512	ug.mL-1
MIC	=	128	ug.mL-1
MIC	=	128	ug.mL-1

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

来源：DTP/NCI 靶标：N/A

External ID: IGROV1_OneDose

Protocol: NCI-60 Human Tumor Cell Lines Screen was performed using the standard one-dose NCI protocol, which is described in more detail at https://dtp.cancer.gov/discovery_development/nci-60/default.htm.

Compounds with GIPRCNT values below 10 were considered active. Activity score was based on GIPRCNT using the following formula:
max(-GIPRCNT/2 + 50, 0)
Score is 0 for GIPRCNT values of 100 or above, 50 for GIPRCNT values of 0, and 100 for GIPRCNT values of -100.

Comment: These data are a subset of the data from the NCI human tumor cell line screen. Compounds are identified by the NCI National Service Center (NSC) number, which is contained in the
PUBCHEM_EXT_DATASOURCE_REGID field. In the NCI cell line identification system, IGROV1 is panel number 6, cell number 10. PANELCODE or PANELNAME identify the NCI-60 cell panel. PANELNBR does NOT identify the NCI-60 panel.

EXPID is the NCI internal tracking number for the experiment identifier, and PREFIX = 'S' for the NSCs submitted through the NCI Chemical Agents repository.

Substance concentration unit is indicated in the data table, using the following abbreviations: M = molar (M), u = micrograms/milliliter (microg/mL), V = volumetric fraction.

M_GIPRCNT represents the mean growth percent for that experiment, and N_GIPRCNT indicates the number of values for that NSC within an experiment, while STDEV_GIPRCNT is the standard deviation. Most NSCs are tested once per experiment, resulting in EXP_COUNT = 1.

EXPID	PREFIX	CONCENTRATION_UNIT	CONCENTRATION	PANELNBR	CELLNBR	PANELNAME	CELLNAME	PANELCODE	M_GIPRCNT	N_GIPRCNT	EXP_COUNT
0809OS51	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	89.6274	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	94.0185	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	77.1805	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	76.1686	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	82.5618	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	88.7561	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	83.5845	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	92.7497	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	70.9555	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	58.7306	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	72.6041	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	90.3839	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	110.2345	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	97.6538	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	93.7697	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	56.4618	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	80.8893	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	79.078	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	-20.3008	1	1
0810OS71	S	M	1.0E-5	6	10	Ovarian Cancer	IGROV1	OVA	72.0949	1	1

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

来源：ChEMBL 靶标：Beta-lactamase

External ID: CHEMBL650684

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: 2000
Volume: 10
Issue: 19
First Page: 2179
Last Page: 2182
DOI: 10.1016/s0960-894x(00)00444-3

Target ChEMBL ID: CHEMBL3652
ChEMBL Target Name: Beta-lactamase TEM
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	Data Validity Comment
50	IC50	>	50000	nM
100	IC50	=	100000	nM
100	IC50	=	100000	nM
8.7	IC50	=	8700	nM
700	IC50	>	700000	nM	Outside typical range
700	IC50	>	700000	nM	Outside typical range
700	IC50	>	700000	nM	Outside typical range
190	IC50	=	190000	nM	Outside typical range
700	IC50	>	700000	nM	Outside typical range

82159-06-6 靶点实验数据