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

来源：ChEMBL 靶标：BC

External ID: CHEMBL651284

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: 2004
Volume: 47
Issue: 3
First Page: 673
Last Page: 680
DOI: 10.1021/jm030165t

Target ChEMBL ID: CHEMBL613535
ChEMBL Target Name: BC
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
4.9	IC50	=	4900	nM
268	IC50	=	268000	nM	Outside typical range
50	IC50	>	50000	nM
8.4	IC50	=	8400	nM

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: CHEMBL724608

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1981
Volume: 24
Issue: 2
First Page: 127
Last Page: 140
DOI: 10.1021/jm00134a002

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	Activity Comment
MST	Not Determined
MST	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：Mus musculus

External ID: CHEMBL724607

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1981
Volume: 24
Issue: 2
First Page: 127
Last Page: 140
DOI: 10.1021/jm00134a002

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	Activity Comment
MST	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：Plasmodium berghei

External ID: CHEMBL718071

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1981
Volume: 24
Issue: 2
First Page: 127
Last Page: 140
DOI: 10.1021/jm00134a002

Target ChEMBL ID: CHEMBL612653
ChEMBL Target Name: Plasmodium berghei
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
MST	=	7.7	day
MST	=	7.9	day
MST	=	8.1	day
MST	=	0.5	day
MST	=	0.2	day

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

来源：ChEMBL 靶标：Bifunctional dihydrofolate reductase-thymidylate synthase

External ID: CHEMBL663727

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: 2004
Volume: 47
Issue: 3
First Page: 673
Last Page: 680
DOI: 10.1021/jm030165t

Target ChEMBL ID: CHEMBL1939
ChEMBL Target Name: Dihydrofolate reductase
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
0.0105	Ki	=	10.5	nM
0.127	Ki	=	127	nM

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

来源：ChEMBL 靶标：Dihydrofolate reductase

External ID: CHEMBL3635311

Protocol: N/A

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

Journal: Eur. J. Med. Chem.
Year: 2015
Volume: 103
First Page: 600
Last Page: 614
DOI: 10.1016/j.ejmech.2015.08.021

Target ChEMBL ID: CHEMBL1809
ChEMBL Target Name: Dihydrofolate reductase
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
6.93	Kd	=	6930	nM
0.73	Kd	=	730	nM
24.53	Kd	=	24530	nM

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

来源：ChEMBL 靶标：Bifunctional dihydrofolate reductase-thymidylate synthase

External ID: CHEMBL663728

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: 2004
Volume: 47
Issue: 3
First Page: 673
Last Page: 680
DOI: 10.1021/jm030165t

Target ChEMBL ID: CHEMBL1939
ChEMBL Target Name: Dihydrofolate reductase
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
0.088	Ki	=	88	nM
0.025	Ki	=	25	nM
0.041	Ki	=	41	nM
0.015	Ki	=	15	nM
0.0018	Ki	=	1.8	nM
0.285	Ki	=	285	nM
0.217	Ki	=	217	nM
1.582	Ki	=	1582	nM

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

来源：ChEMBL 靶标：Dihydrofolate reductase

External ID: CHEMBL3635309

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2015
Volume: 103
First Page: 600
Last Page: 614
DOI: 10.1016/j.ejmech.2015.08.021

Target ChEMBL ID: CHEMBL1809
ChEMBL Target Name: Dihydrofolate reductase
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
deltaTm				Not Active
Delta Tm	=	12.25	degrees C
Delta Tm	=	5.8	degrees C
Delta Tm	=	3.99	degrees C

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: CHEMBL728195

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1981
Volume: 24
Issue: 2
First Page: 127
Last Page: 140
DOI: 10.1021/jm00134a002

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
No. of toxic deaths	=	5

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

来源：ChEMBL 靶标：Dihydrofolate reductase

External ID: CHEMBL3635314

Protocol: N/A

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

Journal: Eur. J. Med. Chem.
Year: 2015
Volume: 103
First Page: 600
Last Page: 614
DOI: 10.1016/j.ejmech.2015.08.021

Target ChEMBL ID: CHEMBL1809
ChEMBL Target Name: Dihydrofolate reductase
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
	Ki(app)				Not Active
0.0497	Ki	=	49.7	nM
2.89	Ki	=	2890	nM

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

来源：ChEMBL 靶标：Dihydrofolate reductase

External ID: CHEMBL3635313

Protocol: N/A

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

Journal: Eur. J. Med. Chem.
Year: 2015
Volume: 103
First Page: 600
Last Page: 614
DOI: 10.1016/j.ejmech.2015.08.021

Target ChEMBL ID: CHEMBL1809
ChEMBL Target Name: Dihydrofolate reductase
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
	IC50				Not Active
1.15	IC50	=	1150	nM
62.83	IC50	=	62830	nM

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

来源：ChEMBL 靶标：Plasmodium falciparum

External ID: CHEMBL874968

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2005
Volume: 48
Issue: 8
First Page: 2805
Last Page: 2813
DOI: 10.1021/jm049683+

Target ChEMBL ID: CHEMBL364
ChEMBL Target Name: Plasmodium falciparum
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
IC50	=	0.0012	ug.mL-1
IC50	=	3.28E-4	ug.mL-1
IC50	=	0.877	ug.mL-1
IC50	=	2.0E-5	ug.mL-1
IC50	=	0.845	ug.mL-1
IC50	>	5	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：Plasmodium berghei

External ID: CHEMBL718080

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1981
Volume: 24
Issue: 2
First Page: 127
Last Page: 140
DOI: 10.1021/jm00134a002

Target ChEMBL ID: CHEMBL612653
ChEMBL Target Name: Plasmodium berghei
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Activity Comment
MST	Not Determined
MST	Not Determined

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

来源：Center for Chemical Genomics, University of Michigan 靶标：N/A

External ID: TargetID_659_CEMA

Protocol: Black, standard capacity streptavidin-coated 384-well plates (Pierce 15407) were first washed with 50 L of phosphate buffer (100 mM, pH 7.0; PB7) three times using a Biotek 405 ELX plate washer. Subsequently, 5 L of biotinylated pre-miRNA substrate (500 nM final) was dispensed into the plate using a Multidrop Combi Reagent Dispenser (Thermo Scientific). Plates were then centrifuged for 1 min at 1,000 RPM (223 g), sealed with plate tape, and incubated overnight at 4 C. The following morning, plates were washed three times with 50 L of PB7, followed by the addition of 5 L of Dicer digest buffer (20 mM Tris, 12 mM NaCl, 2.5 mM MgCl2, 1 mM fresh DTT, and 4.5% DMSO) and centrifugation. Compounds (50 nL of 5 mM DMSO stock, 25 M final) were then added into the sample wells using a Sciclone (Caliper) liquid handler with V&P pintool; the same volume of DMSO was added to the control wells. The plates were incubated at 25 C for 15 min before addition of 5 L of digest buffer containing 217 g/nL Dicer (108 g/mL Dicer, 5% glycerol and 0.01% Triton X-100 final, excess with respect to pre-miRNA). For the positive control wells, digest buffer without Dicer was added. The plates were centrifuged again and resealed before being placed in a 37 C incubator for 5 h. After Dicer cleavage, plates were washed three times with 50 L of PB7. mTet-HRP in PB7 (10 L, 750 nM final) was then dispensed into each well. The plates were subsequently centrifuged, sealed, and incubated at 25 C for 2 h. Plates were then washed three times with 50 L of wash buffer (2 mM imidazole, 260 mM NaCl, 0.5 mM EDTA, 0.1% Tween-20, pH 7.0), followed by washing three additional times with 50 L of PB7. Finally, SuperSignal West Pico (25 L; Pierce) was added, the plates were incubated at 25 C for 5 min, and chemiluminescence signal was detected using a PHERAstar plate reader using LUM plus module (BMG Labtech).

Comment: The activity outcome is based on a Z-score (number of standard deviations from the negative control mean) of 3 or higher on at least 50% times that the sample was screened.

For instance, if the sample was screened in n=4 runs, it would be considered active only if it had a Z-score of 3 or above in at least 2 runs.

Z_SCORE
2.91
-0.56
0.61
2.15
0.54
-0.32
1.12
-0.07
0.61
1.55
-0.77
-0.76
-2.08
0.67
-0.35
0.17
-1.42
-0.64
-5.35
1.42

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

来源：ChEMBL 靶标：Plasmodium falciparum

External ID: CHEMBL874967

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2005
Volume: 48
Issue: 8
First Page: 2805
Last Page: 2813
DOI: 10.1021/jm049683+

Target ChEMBL ID: CHEMBL364
ChEMBL Target Name: Plasmodium falciparum
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
IC50	=	0.13	ug.mL-1
IC50	>	0.0025	ug.mL-1
IC50	=	3.786	ug.mL-1
IC50	=	1.6E-5	ug.mL-1
IC50	=	2.551	ug.mL-1
IC50	>	5	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：Mus musculus

External ID: CHEMBL718079

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1981
Volume: 24
Issue: 2
First Page: 127
Last Page: 140
DOI: 10.1021/jm00134a002

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	Activity Comment
MST	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：N/A

External ID: CHEMBL839065

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2005
Volume: 15
Issue: 3
First Page: 531
Last Page: 533
DOI: 10.1016/j.bmcl.2004.11.052

Standard Type	Standard Relation	Standard Value
PKa	=	3.82
PKa	=	3.05
PKa	=	2.98

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

来源：ChEMBL 靶标：Plasmodium falciparum

External ID: CHEMBL883936

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2005
Volume: 15
Issue: 22
First Page: 4957
Last Page: 4960
DOI: 10.1016/j.bmcl.2005.08.023

Target ChEMBL ID: CHEMBL364
ChEMBL Target Name: Plasmodium falciparum
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	=	64	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：Plasmodium falciparum

External ID: CHEMBL763024

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2001
Volume: 44
Issue: 23
First Page: 3925
Last Page: 3931
DOI: 10.1021/jm010089z

Target ChEMBL ID: CHEMBL364
ChEMBL Target Name: Plasmodium falciparum
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
IC90	=	1.745	ug.mL-1
IC90	=	0.152	ug.mL-1
IC90	=	0.00143	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：Plasmodium berghei

External ID: CHEMBL719448

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1981
Volume: 24
Issue: 2
First Page: 127
Last Page: 140
DOI: 10.1021/jm00134a002

Target ChEMBL ID: CHEMBL612653
ChEMBL Target Name: Plasmodium berghei
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
MST	=	13.4	day
MST	=	1.1	day
MST	=	0.5	day
MST	=	1	day

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: CHEMBL719453

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1981
Volume: 24
Issue: 2
First Page: 127
Last Page: 140
DOI: 10.1021/jm00134a002

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	Activity Comment
MST	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：Mus musculus

External ID: CHEMBL719457

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1981
Volume: 24
Issue: 2
First Page: 127
Last Page: 140
DOI: 10.1021/jm00134a002

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	Activity Comment
MST	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：N/A

External ID: CHEMBL4768934

Protocol: N/A

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

Journal: Eur J Med Chem
Year: 2020
Volume: 195
First Page: 112263
Last Page: 112263
DOI: 10.1016/j.ejmech.2020.112263

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.0032	Ki	=	3.2	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: CHEMBL4768935

Protocol: N/A

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

Journal: Eur J Med Chem
Year: 2020
Volume: 195
First Page: 112263
Last Page: 112263
DOI: 10.1016/j.ejmech.2020.112263

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
8.0E-4	Ki	=	0.8	nM
0.0013	Ki	=	1.3	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: CHEMBL4768933

Protocol: N/A

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

Journal: Eur J Med Chem
Year: 2020
Volume: 195
First Page: 112263
Last Page: 112263
DOI: 10.1016/j.ejmech.2020.112263

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
8.0E-4	Ki	=	0.8	nM

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

来源：ChEMBL 靶标：Dihydrofolate reductase

External ID: CHEMBL858265

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: 6
First Page: 967
Last Page: 972
DOI: 10.1021/jm00006a016

Target ChEMBL ID: CHEMBL1926
ChEMBL Target Name: Dihydrofolate reductase
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
0.03802	Ki	=	38.02	nM
0.15136	Ki	=	151.36	nM
0.2138	Ki	=	213.8	nM
0.01514	Ki	=	15.14	nM
0.007762	Ki	=	7.762	nM
0.01202	Ki	=	12.02	nM
0.1	Ki	=	100	nM
0.63096	Ki	=	630.96	nM
0.007943	Ki	=	7.943	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: CHEMBL838938

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2004
Volume: 47
Issue: 3
First Page: 673
Last Page: 680
DOI: 10.1021/jm030165t

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

Standard Type	Standard Relation	Standard Value
Safety ratio	=	7.7
Safety ratio	=	2.6
Safety ratio	=	37.7
Safety ratio	=	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：BC

External ID: CHEMBL838937

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2004
Volume: 47
Issue: 3
First Page: 673
Last Page: 680
DOI: 10.1021/jm030165t

Target ChEMBL ID: CHEMBL613535
ChEMBL Target Name: BC
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
Safety ratio	=	17.1
Safety ratio	=	1
Safety ratio	=	89.3
Safety ratio	>	1.3

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

来源：ChEMBL 靶标：Enterococcus faecium

External ID: CHEMBL3285746

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1977
Volume: 20
Issue: 2
First Page: 237
Last Page: 243
DOI: 10.1021/jm00212a010

Target ChEMBL ID: CHEMBL357
ChEMBL Target Name: Enterococcus faecium
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 Units	Activity Comment
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Active
Inhibition	%	Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Active
Inhibition	%	Not Active
Inhibition	%	Active
Inhibition	%	Not Active
Inhibition	%	Active
Inhibition	%	Active
Inhibition	%	Not Active
Inhibition	%	Active
Inhibition	%	Not Active
Inhibition	%	Active
Inhibition	%	Active

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: CHEMBL841244

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2004
Volume: 47
Issue: 3
First Page: 673
Last Page: 680
DOI: 10.1021/jm030165t

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

Standard Type	Standard Relation	Standard Value
Safety ratio	=	80
Safety ratio	=	1362
Safety ratio	=	1883
Safety ratio	=	1025

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: CHEMBL3285745

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: 1977
Volume: 20
Issue: 2
First Page: 237
Last Page: 243
DOI: 10.1021/jm00212a010

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	Data Validity Comment
76	IC50	=	76000	nM
7.8	IC50	=	7800	nM
12	IC50	=	12000	nM
3470	IC50	>	3470000	nM	Outside typical range
10	IC50	=	10000	nM
11	IC50	=	11000	nM
7700	IC50	>	7700000	nM	Outside typical range
1.7	IC50	=	1700	nM
1300	IC50	=	1300000	nM	Outside typical range
5200	IC50	>	5200000	nM	Outside typical range
8.1	IC50	=	8100	nM
143	IC50	=	143000	nM	Outside typical range
7	IC50	=	7000	nM
13.5	IC50	=	13500	nM
85	IC50	=	85000	nM
2700	IC50	>	2700000	nM	Outside typical range
1900	IC50	=	1900000	nM	Outside typical range
0.4	IC50	=	400	nM
5000	IC50	>	5000000	nM	Outside typical range
182	IC50	=	182000	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：BC

External ID: CHEMBL841243

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2004
Volume: 47
Issue: 3
First Page: 673
Last Page: 680
DOI: 10.1021/jm030165t

Target ChEMBL ID: CHEMBL613535
ChEMBL Target Name: BC
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
Safety ratio	=	178
Safety ratio	=	500
Safety ratio	=	4467
Safety ratio	>	1250

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

来源：ChEMBL 靶标：Lacticaseibacillus casei

External ID: CHEMBL3281544

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1977
Volume: 20
Issue: 2
First Page: 237
Last Page: 243
DOI: 10.1021/jm00212a010

Target ChEMBL ID: CHEMBL613075
ChEMBL Target Name: Lacticaseibacillus casei
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 Units	Activity Comment
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Active
Inhibition	%	Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Active
Inhibition	%	Not Active
Inhibition	%	Active
Inhibition	%	Active
Inhibition	%	Not Active
Inhibition	%	Active
Inhibition	%	Not Active
Inhibition	%	Active
Inhibition	%	Active
Inhibition	%	Not Active
Inhibition	%	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：Vero

External ID: CHEMBL841242

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2004
Volume: 47
Issue: 3
First Page: 673
Last Page: 680
DOI: 10.1021/jm030165t

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
Safety ratio	=	94.2
Safety ratio	=	0.8
Safety ratio	=	18.3
Safety ratio	>	13

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

来源：ChEMBL 靶标：Enterococcus faecium

External ID: CHEMBL3281543

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1977
Volume: 20
Issue: 2
First Page: 237
Last Page: 243
DOI: 10.1021/jm00212a010

Target ChEMBL ID: CHEMBL357
ChEMBL Target Name: Enterococcus faecium
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 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	%	Active
Inhibition	%	Not Active
Inhibition	%	Active
Inhibition	%	Active
Inhibition	%	Active
Inhibition	%	Not Active
Inhibition	%	Active
Inhibition	%	Active
Inhibition	%	Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Active

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

来源：ChEMBL 靶标：Plasmodium falciparum

External ID: CHEMBL762813

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2001
Volume: 44
Issue: 23
First Page: 3925
Last Page: 3931
DOI: 10.1021/jm010089z

Target ChEMBL ID: CHEMBL364
ChEMBL Target Name: Plasmodium falciparum
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
IC50	=	0.07	ug.mL-1
IC50	>	5.0E-4	ug.mL-1
IC50	=	4.7E-5	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: CHEMBL841249

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2004
Volume: 47
Issue: 3
First Page: 673
Last Page: 680
DOI: 10.1021/jm030165t

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
Safety ratio	=	980
Safety ratio	=	917
Safety ratio	>	1250

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: CHEMBL3281546

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1977
Volume: 20
Issue: 2
First Page: 237
Last Page: 243
DOI: 10.1021/jm00212a010

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 Units	Activity Comment
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Active
Inhibition	%	Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Active
Inhibition	%	Not Active
Inhibition	%	Active
Inhibition	%	Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Active
Inhibition	%	Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Active

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

来源：ChEMBL 靶标：Dihydrofolate reductase

External ID: CHEMBL668388

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: 1984
Volume: 27
Issue: 2
First Page: 129
Last Page: 143
DOI: 10.1021/jm00368a006

Target ChEMBL ID: CHEMBL2902
ChEMBL Target Name: Dihydrofolate reductase
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
67.6083	Ki	=	67608.3	nM
2.69153	Ki	=	2691.53	nM
275.423	Ki	=	275422.87	nM	Outside typical range
1.34896	Ki	=	1348.96	nM
16.9824	Ki	=	16982.44	nM
26.9154	Ki	=	26915.35	nM
6.60693	Ki	=	6606.93	nM
389.045	Ki	=	389045.14	nM	Outside typical range
1071.52	Ki	=	1071519.31	nM	Outside typical range
6.45654	Ki	=	6456.54	nM
2.0893	Ki	=	2089.3	nM
2.18776	Ki	=	2187.76	nM
18.197	Ki	=	18197.01	nM
0.81283	Ki	=	812.83	nM
0.20417	Ki	=	204.17	nM
0.53703	Ki	=	537.03	nM
3.98107	Ki	=	3981.07	nM
17.378	Ki	=	17378.01	nM
1.02329	Ki	=	1023.29	nM
53.7032	Ki	=	53703.18	nM

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

来源：ChEMBL 靶标：Lacticaseibacillus casei

External ID: CHEMBL3281545

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1977
Volume: 20
Issue: 2
First Page: 237
Last Page: 243
DOI: 10.1021/jm00212a010

Target ChEMBL ID: CHEMBL613075
ChEMBL Target Name: Lacticaseibacillus casei
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 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	%	Active
Inhibition	%	Active
Inhibition	%	Active
Inhibition	%	Not Active
Inhibition	%	Active
Inhibition	%	Active
Inhibition	%	Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Active

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: CHEMBL841247

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2004
Volume: 47
Issue: 3
First Page: 673
Last Page: 680
DOI: 10.1021/jm030165t

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

Standard Type	Standard Relation	Standard Value
Safety ratio	=	3.1
Safety ratio	<	1.1
Safety ratio	=	17.7
Safety ratio	<	0.4

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: CHEMBL3281547

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1977
Volume: 20
Issue: 2
First Page: 237
Last Page: 243
DOI: 10.1021/jm00212a010

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 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	%	Active
Inhibition	%	Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Active
Inhibition	%	Active
Inhibition	%	Not Active
Inhibition	%	Active
Inhibition	%	Active
Inhibition	%	Not Active
Inhibition	%	Active

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

来源：ChEMBL 靶标：Plasmodium berghei

External ID: CHEMBL3281550

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1977
Volume: 20
Issue: 2
First Page: 237
Last Page: 243
DOI: 10.1021/jm00212a010

Target ChEMBL ID: CHEMBL612653
ChEMBL Target Name: Plasmodium berghei
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
MCD	>	640	mg kg-1
MCD	=	1.25	mg kg-1
MCD	>	640	mg kg-1
MCD	=	80	mg kg-1
MCD	=	40	mg kg-1
MCD	=	160	mg kg-1
MCD	=	640	mg kg-1
MCD	=	80	mg kg-1
MCD	=	160	mg kg-1
MCD	=	40	mg kg-1
MCD	>	640	mg kg-1
MCD	=	640	mg kg-1
MCD	=	40	mg kg-1
MCD	=	160	mg kg-1
MCD	>	640	mg kg-1
MCD	=	640	mg kg-1
MCD	>	640	mg kg-1
MCD	=	20	mg kg-1
MCD	=	160	mg kg-1
MCD	=	40	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：Plasmodium berghei

External ID: CHEMBL3281549

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1977
Volume: 20
Issue: 2
First Page: 237
Last Page: 243
DOI: 10.1021/jm00212a010

Target ChEMBL ID: CHEMBL612653
ChEMBL Target Name: Plasmodium berghei
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
MED	=	640	mg kg-1
MED	=	0.63	mg kg-1
MED	>	640	mg kg-1
MED	=	20	mg kg-1
MED	=	10	mg kg-1
MED	=	40	mg kg-1
MED	=	160	mg kg-1
MED	=	20	mg kg-1
MED	=	40	mg kg-1
MED	=	20	mg kg-1
MED	>	640	mg kg-1
MED	=	640	mg kg-1
MED	=	20	mg kg-1
MED	=	20	mg kg-1
MED	=	160	mg kg-1
MED	=	640	mg kg-1
MED	>	640	mg kg-1
MED	=	2.5	mg kg-1
MED	=	40	mg kg-1
MED	=	20	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：Bifunctional dihydrofolate reductase-thymidylate synthase

External ID: CHEMBL760283

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: 2004
Volume: 47
Issue: 3
First Page: 673
Last Page: 680
DOI: 10.1021/jm030165t

Target ChEMBL ID: CHEMBL1939
ChEMBL Target Name: Dihydrofolate reductase
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
2.7	IC50	=	2700	nM
3.1	IC50	=	3100	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-CD81

External ID: CHEMBL4483864

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: Science
Year: 2018
Volume: 362
Issue: 6419
DOI: 10.1126/science.aat9446

Target ChEMBL ID: CHEMBL4543887
ChEMBL Target Name: HepG2-CD81
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: Winzeler Lab Plasmodium Screening

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
3.48	HEPG2TOX ASSAY - CC90	=	3.48	uM
1.05	HEPG2TOX ASSAY - CC50	=	1.05	uM
1.05	HEPG2TOX ASSAY - CC90	=	1.05	uM
6.54	HEPG2TOX ASSAY - CC50	=	6.54	uM
4.75	HEPG2TOX ASSAY - CC90	=	4.75	uM
1.63	HEPG2TOX ASSAY - CC50	=	1.63	uM
1.63	HEPG2TOX ASSAY - CC90	=	1.63	uM
7.48	HEPG2TOX ASSAY - CC50	=	7.48	uM
3.26	HEPG2TOX ASSAY - CC90	=	3.26	uM
0.0189	HEPG2TOX ASSAY - CC50	=	0.0189	uM
6.77	HEPG2TOX ASSAY - CC90	=	6.77	uM
7.54	HEPG2TOX ASSAY - CC50	=	7.54	uM
12.4	HEPG2TOX ASSAY - CC90	>	12.4	uM
6.3	HEPG2TOX ASSAY - CC50	=	6.3	uM
6.3	HEPG2TOX ASSAY - CC90	=	6.3	uM
9.05	HEPG2TOX ASSAY - CC50	=	9.05	uM
14.9	HEPG2TOX ASSAY - CC90	>	14.9	uM
12.7	HEPG2TOX ASSAY - CC50	>	12.7	uM
12.7	HEPG2TOX ASSAY - CC90	>	12.7	uM
8.37	HEPG2TOX ASSAY - CC50	>	8.37	uM

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

来源：ChEMBL 靶标：Plasmodium berghei

External ID: CHEMBL4483863

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: Science
Year: 2018
Volume: 362
Issue: 6419
DOI: 10.1126/science.aat9446

Target ChEMBL ID: CHEMBL612653
ChEMBL Target Name: Plasmodium berghei
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: Winzeler Lab Plasmodium Screening

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
9.56	LUCIFERASE EXPRESSION CONTROL - IC90	>	9.56	uM
1.17	LUCIFERASE INFECTION ASSAY - IC50	=	1.17	uM
1.41	LUCIFERASE INFECTION ASSAY - IC90	=	1.41	uM
10	LUCIFERASE EXPRESSION CONTROL - IC50	>	10	uM
9.72	LUCIFERASE EXPRESSION CONTROL - IC90	>	9.72	uM
9.01	LUCIFERASE INFECTION ASSAY - IC50	>	9.01	uM
9.01	LUCIFERASE INFECTION ASSAY - IC90	>	9.01	uM
9.01	LUCIFERASE EXPRESSION CONTROL - IC50	>	9.01	uM
9.01	LUCIFERASE EXPRESSION CONTROL - IC90	>	9.01	uM
8.99	LUCIFERASE INFECTION ASSAY - IC50	=	8.99	uM
10	LUCIFERASE INFECTION ASSAY - IC90	>	10	uM
10	LUCIFERASE EXPRESSION CONTROL - IC50	>	10	uM
9.81	LUCIFERASE EXPRESSION CONTROL - IC90	>	9.81	uM
3.23	LUCIFERASE INFECTION ASSAY - IC50	=	3.23	uM
6.33	LUCIFERASE INFECTION ASSAY - IC90	>	6.33	uM
6.33	LUCIFERASE EXPRESSION CONTROL - IC50	>	6.33	uM
8.74	LUCIFERASE EXPRESSION CONTROL - IC90	>	8.74	uM
10	LUCIFERASE INFECTION ASSAY - IC50	>	10	uM
10	LUCIFERASE INFECTION ASSAY - IC90	>	10	uM
10	LUCIFERASE EXPRESSION CONTROL - IC50	>	10	uM

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

来源：ChEMBL 靶标：Bifunctional dihydrofolate reductase-thymidylate synthase

External ID: CHEMBL760281

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: 2004
Volume: 47
Issue: 3
First Page: 673
Last Page: 680
DOI: 10.1021/jm030165t

Target ChEMBL ID: CHEMBL1939
ChEMBL Target Name: Dihydrofolate reductase
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
0.06	IC50	=	60	nM
0.004	IC50	=	4	nM

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

来源：ChEMBL 靶标：Bifunctional dihydrofolate reductase-thymidylate synthase

External ID: CHEMBL765485

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: 2004
Volume: 47
Issue: 3
First Page: 673
Last Page: 680
DOI: 10.1021/jm030165t

Target ChEMBL ID: CHEMBL1939
ChEMBL Target Name: Dihydrofolate reductase
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
4.5	IC50	=	4500	nM
3.9	IC50	=	3900	nM
5.8	IC50	=	5800	nM
3.5	IC50	=	3500	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: CHEMBL677561

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1985
Volume: 28
Issue: 12
First Page: 1910
Last Page: 1916
DOI: 10.1021/jm00150a026

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

Standard Type	Standard Relation	Standard Value
Log 1/C	=	6.61
Log 1/C	=	5.95
Log 1/C	=	4.21
Log 1/C	=	4.08
Log 1/C	=	5.24
Log 1/C	=	4.77
Log 1/C	=	4.94
Log 1/C	=	4.92
Log 1/C	=	4.28
Log 1/C	=	4.53
Log 1/C	=	6.08
Log 1/C	=	5.04
Log 1/C	=	2.47
Log 1/C	=	4.79
Log 1/C	=	6.08
Log 1/C	=	6.67
Log 1/C	=	5.83
Log 1/C	=	4.24
Log 1/C	=	6.97
Log 1/C	=	3.76

516-21-2 靶点实验数据