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

来源：ChEMBL 靶标：Enoyl-acyl-carrier protein reductase

External ID: CHEMBL859175

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2006
Volume: 49
Issue: 11
First Page: 3345
Last Page: 3353
DOI: 10.1021/jm0600545

Target ChEMBL ID: CHEMBL4150
ChEMBL Target Name: Enoyl-acyl-carrier protein 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	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
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：Plasma

External ID: CHEMBL3744231

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2015
Volume: 106
First Page: 95
Last Page: 105
DOI: 10.1016/j.ejmech.2015.10.039

Target ChEMBL ID: CHEMBL613450
ChEMBL Target Name: Plasma
ChEMBL Target Type: TISSUE - Target is a healthy or diseased tissue
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
TT	=	24.4	s
TT	=	25.96	s
TT	=	27.45	s
TT	=	25.1	s
TT	=	23.33	s
TT	=	29.03	s
TT	=	23.08	s
TT	=	24.98	s
TT	=	25.48	s

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

来源：ChEMBL 靶标：3-oxoacyl-acyl-carrier protein reductase

External ID: CHEMBL859176

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2006
Volume: 49
Issue: 11
First Page: 3345
Last Page: 3353
DOI: 10.1021/jm0600545

Target ChEMBL ID: CHEMBL4513
ChEMBL Target Name: 3-oxoacyl-acyl-carrier protein 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	Activity Comment
Activity	Not Active
Activity	Not Active
Activity	Not Active
Activity	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
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：N/A

External ID: CHEMBL3744235

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2015
Volume: 106
First Page: 95
Last Page: 105
DOI: 10.1016/j.ejmech.2015.10.039

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
189.88	IC50	=	189880	nM	Outside typical range
158.67	IC50	=	158670	nM	Outside typical range
462.79	IC50	=	462790	nM	Outside typical range
27.93	IC50	=	27930	nM
25.29	IC50	=	25290	nM
28.85	IC50	=	28850	nM
30.17	IC50	=	30170	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: CHEMBL859172

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: 2006
Volume: 49
Issue: 11
First Page: 3345
Last Page: 3353
DOI: 10.1021/jm0600545

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

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
10	IC50	=	10000	nM
141.1	IC50	=	141100	nM	Outside typical range
29.8	IC50	=	29800	nM
65.5	IC50	=	65500	nM
65.9	IC50	=	65900	nM
60.8	IC50	=	60800	nM
110.4	IC50	=	110400	nM	Outside typical range
8.2	IC50	=	8200	nM
30.4	IC50	=	30400	nM
10.7	IC50	=	10700	nM
40	IC50	=	40000	nM
25.5	IC50	=	25500	nM
150	IC50	>	150000	nM	Outside typical range
24	IC50	=	24000	nM
57.3	IC50	=	57300	nM
39.4	IC50	=	39400	nM
73.3	IC50	=	73300	nM
150	IC50	>	150000	nM	Outside typical range
3.2	IC50	=	3200	nM
34.3	IC50	=	34300	nM

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

来源：ChEMBL 靶标：Plasma

External ID: CHEMBL3744234

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2015
Volume: 106
First Page: 95
Last Page: 105
DOI: 10.1016/j.ejmech.2015.10.039

Target ChEMBL ID: CHEMBL613450
ChEMBL Target Name: Plasma
ChEMBL Target Type: TISSUE - Target is a healthy or diseased tissue
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
Activity	=	6.84	g/L
Activity	=	5.38	g/L
Activity	=	5.92	g/L
Activity	=	5.65	g/L
Activity	=	5.94	g/L
Activity	=	5.96	g/L
Activity	=	6.13	g/L
Activity	=	5.67	g/L
Activity	=	5.74	g/L

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

来源：ChEMBL 靶标：HT-1080

External ID: CHEMBL1005675

Protocol: N/A

Comment: Journal: J Nat Prod
Year: 2001
Volume: 64
Issue: 5
First Page: 592
Last Page: 596
DOI: 10.1021/np000607t

Target ChEMBL ID: CHEMBL614580
ChEMBL Target Name: HT-1080
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
ED50	=	4.5	ug ml-1
ED50	=	3	ug ml-1
ED50	=	0.48	ug ml-1
ED50	=	8.8	ug ml-1
ED50	=	47.1	ug ml-1
ED50	>	100	ug ml-1
ED50	=	57.9	ug ml-1
ED50	=	21.8	ug ml-1
ED50	=	20.6	ug ml-1
ED50	=	81.7	ug ml-1
ED50	=	18.6	ug ml-1
ED50	=	23.2	ug ml-1
ED50	=	96.3	ug ml-1
ED50	=	74.8	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：Plasmodium falciparum

External ID: CHEMBL859173

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: 2006
Volume: 49
Issue: 11
First Page: 3345
Last Page: 3353
DOI: 10.1021/jm0600545

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

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
8.9	IC50	=	8900	nM
	Activity				Not Determined
	Activity				Not Determined
	Activity				Not Determined
	Activity				Not Determined
	Activity				Not Determined
16.1	IC50	=	16100	nM
6.5	IC50	=	6500	nM
	Activity				Not Determined
9.6	IC50	=	9600	nM
11.3	IC50	=	11300	nM
9.9	IC50	=	9900	nM
	Activity				Not Determined
	Activity				Not Determined
12.9	IC50	=	12900	nM
	Activity				Not Determined
	Activity				Not Determined
	Activity				Not Determined
0.4	IC50	=	400	nM
	Activity				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：Plasma

External ID: CHEMBL3744233

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2015
Volume: 106
First Page: 95
Last Page: 105
DOI: 10.1016/j.ejmech.2015.10.039

Target ChEMBL ID: CHEMBL613450
ChEMBL Target Name: Plasma
ChEMBL Target Type: TISSUE - Target is a healthy or diseased tissue
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
APTT	=	36.65	s
APTT	=	33.1	s
APTT	=	30.48	s
APTT	=	39.42	s
APTT	=	38.28	s
APTT	=	36	s
APTT	=	34.18	s
APTT	=	31.53	s
APTT	=	34.49	s

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

来源：ChEMBL 靶标：3-hydroxyacyl-[acyl-carrier-protein] dehydratase

External ID: CHEMBL859174

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2006
Volume: 49
Issue: 11
First Page: 3345
Last Page: 3353
DOI: 10.1021/jm0600545

Target ChEMBL ID: CHEMBL4512
ChEMBL Target Name: Fatty acid synthase
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	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
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：Plasma

External ID: CHEMBL3744232

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2015
Volume: 106
First Page: 95
Last Page: 105
DOI: 10.1016/j.ejmech.2015.10.039

Target ChEMBL ID: CHEMBL613450
ChEMBL Target Name: Plasma
ChEMBL Target Type: TISSUE - Target is a healthy or diseased tissue
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
PT	=	5.93	s
PT	=	6.25	s
PT	=	6.53	s
PT	=	6.95	s
PT	=	6.93	s
PT	=	6.75	s
PT	=	6.28	s
PT	=	6.4	s
PT	=	6.55	s

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: CHEMBL3744239

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2015
Volume: 106
First Page: 95
Last Page: 105
DOI: 10.1016/j.ejmech.2015.10.039

Standard Type	Standard Relation	Standard Value
LogP	=	0.8916
LogP	=	1.765
LogP	=	2.14
LogP	=	2.194
LogP	=	1.937
LogP	=	2.636
LogP	=	0.5924
LogP	=	1.646
LogP	=	1.593

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

来源：ChEMBL 靶标：Enoyl-acyl-carrier protein reductase

External ID: CHEMBL1211148

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2010
Volume: 20
Issue: 16
First Page: 4779
Last Page: 4781
DOI: 10.1016/j.bmcl.2010.06.120

Target ChEMBL ID: CHEMBL4150
ChEMBL Target Name: Enoyl-acyl-carrier protein 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 Units	Activity Comment
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: CHEMBL3744238

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2015
Volume: 106
First Page: 95
Last Page: 105
DOI: 10.1016/j.ejmech.2015.10.039

Standard Type	Standard Relation	Standard Value	Standard Units
Solubility	=	6.85	ug.mL-1
Solubility	=	4.27	ug.mL-1
Solubility	=	1.36	ug.mL-1
Solubility	=	1.53	ug.mL-1
Solubility	=	3.2	ug.mL-1
Solubility	=	0.31	ug.mL-1
Solubility	=	7.62	ug.mL-1
Solubility	=	6.31	ug.mL-1
Solubility	=	4.56	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：NON-PROTEIN TARGET

External ID: CHEMBL3744237

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2015
Volume: 106
First Page: 95
Last Page: 105
DOI: 10.1016/j.ejmech.2015.10.039

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
Inhibition	=	64.6	%
Inhibition	=	62.39	%
Inhibition	=	44.25	%
Inhibition	=	52.21	%
Inhibition	=	48.23	%
Inhibition	=	11.06	%
Inhibition	=	53.1	%
Inhibition	=	63.27	%
Inhibition	=	56.19	%

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

来源：ChEMBL 靶标：Polyphenol oxidase 2

External ID: CHEMBL892348

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2007
Volume: 15
Issue: 7
First Page: 2708
Last Page: 2714
DOI: 10.1016/j.bmc.2007.01.035

Target ChEMBL ID: CHEMBL3318
ChEMBL Target Name: Tyrosinase
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	=	2.78	%
Inhibition	=	13.13	%
Inhibition	=	25.78	%

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: CHEMBL3744236

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2015
Volume: 106
First Page: 95
Last Page: 105
DOI: 10.1016/j.ejmech.2015.10.039

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
Inhibition	=	91.15	%
Inhibition	=	88.05	%
Inhibition	=	68.14	%
Inhibition	=	76.11	%
Inhibition	=	74.34	%
Inhibition	=	20.35	%
Inhibition	=	79.2	%
Inhibition	=	89.38	%
Inhibition	=	82.3	%

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: CHEMBL3744241

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2015
Volume: 106
First Page: 95
Last Page: 105
DOI: 10.1016/j.ejmech.2015.10.039

Standard Type	Standard Relation	Standard Value
LogP	=	0.4799
LogP	=	1.018
LogP	=	1.863
LogP	=	1.809
LogP	=	1.396
LogP	=	2.271
LogP	=	-0.0513
LogP	=	0.7846
LogP	=	1.034

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: CHEMBL3744240

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2015
Volume: 106
First Page: 95
Last Page: 105
DOI: 10.1016/j.ejmech.2015.10.039

Standard Type	Standard Relation	Standard Value
LogP	=	0.772
LogP	=	1.681
LogP	=	2.094
LogP	=	2.135
LogP	=	1.787
LogP	=	2.549
LogP	=	0.3647
LogP	=	1.409
LogP	=	1.537

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: CHEMBL1005674

Protocol: N/A

Comment: Journal: J Nat Prod
Year: 2001
Volume: 64
Issue: 5
First Page: 592
Last Page: 596
DOI: 10.1021/np000607t

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
ED50	=	8.1	ug ml-1
ED50	=	2.3	ug ml-1
ED50	=	0.015	ug ml-1
ED50	=	3.7	ug ml-1
ED50	=	33.7	ug ml-1
ED50	=	63.1	ug ml-1
ED50	=	28.1	ug ml-1
ED50	=	13.8	ug ml-1
ED50	=	24.7	ug ml-1
ED50	=	31.3	ug ml-1
ED50	=	35.1	ug ml-1
ED50	=	12.8	ug ml-1
ED50	=	38.8	ug ml-1
ED50	=	31.4	ug ml-1

10176-71-3 靶点实验数据