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: CHEMBL845375

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1985
Volume: 28
Issue: 1
First Page: 18
Last Page: 24
DOI: 10.1021/jm00379a005

Standard Type	Standard Relation	Standard Value	Standard Units
Ratio	=	1774.3	M-1 s-1
Ratio	=	37.5	M-1 s-1
Ratio	=	360.4	M-1 s-1
Ratio	=	2900	M-1 s-1
Ratio	=	10400	M-1 s-1
Ratio	=	620.3	M-1 s-1
Ratio	=	334.4	M-1 s-1

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL770584

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1981
Volume: 24
Issue: 3
First Page: 241
Last Page: 251
DOI: 10.1021/jm00135a003

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Activity Comment
Activity	carcinogenic activity
Activity	carcinogenic activity
Activity	carcinogenic activity

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

来源：ChEMBL 靶标：Sulfotransferase 1A2

External ID: CHEMBL1743315

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL1743292
ChEMBL Target Name: Sulfotransferase 1A2
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	Substrate
Activity	Substrate
Activity	Substrate

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

来源：ChEMBL 靶标：Sulfotransferase 1C2

External ID: CHEMBL1743307

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL1743295
ChEMBL Target Name: Sulfotransferase 1C2
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	Substrate
Activity	Substrate

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

来源：ChEMBL 靶标：Cricetinae

External ID: CHEMBL631781

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: 1985
Volume: 28
Issue: 10
First Page: 1453
Last Page: 1460
DOI: 10.1021/jm00148a014

Target ChEMBL ID: CHEMBL613875
ChEMBL Target Name: Hamster
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
0.0075	Rate	=	7.5	nM
0.0024	Rate	=	2.4	nM
0.0105	Rate	=	10.5	nM
0.0152	Rate	=	15.2	nM

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

来源：ChEMBL 靶标：Sulfotransferase 1C4

External ID: CHEMBL1743308

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL1743296
ChEMBL Target Name: Sulfotransferase 1C4
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	Substrate
Activity	Substrate
Activity	Substrate
Activity	Substrate
Activity	Substrate
Activity	Substrate
Activity	Substrate
Activity	Substrate

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: CHEMBL747006

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1983
Volume: 26
Issue: 12
First Page: 1780
Last Page: 1784
DOI: 10.1021/jm00366a026

Standard Type	Standard Relation	Standard Value	Standard Units
Transacetylation rate	=	13.29	nM/mg*min
Transacetylation rate	=	19.3	nM/mg*min
Transacetylation rate	=	9.73	nM/mg*min
Transacetylation rate	=	0.05	nM/mg*min
Transacetylation rate	=	0.03	nM/mg*min
Transacetylation rate	=	0.27	nM/mg*min
Transacetylation rate	=	0.11	nM/mg*min
Transacetylation rate	=	0.69	nM/mg*min

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL771448

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1981
Volume: 24
Issue: 3
First Page: 241
Last Page: 251
DOI: 10.1021/jm00135a003

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Activity Comment
Activity	carcinogenic activity
Activity	carcinogenic activity
Activity	carcinogenic activity

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL771336

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1981
Volume: 24
Issue: 3
First Page: 241
Last Page: 251
DOI: 10.1021/jm00135a003

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Activity Comment
Activity	carcinogenic activity
Activity	carcinogenic activity
Activity	carcinogenic activity

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

来源：ChEMBL 靶标：Multidrug resistance protein 1a

External ID: CHEMBL2077093

Protocol: N/A

Comment: Journal: J. Natl. Cancer Inst.
Year: 1988
Volume: 80
Issue: 1
First Page: 1383
Last Page: 1386
DOI: 10.1093/jnci/80.17.1383

Target ChEMBL ID: CHEMBL1075135
ChEMBL Target Name: Multidrug resistance protein 1a
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	inducer [+]
Activity	inducer [+]
Activity	inducer [+]
Activity	inducer [+]
Activity	inducer [+]

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: CHEMBL636967

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1982
Volume: 25
Issue: 7
First Page: 842
Last Page: 846
DOI: 10.1021/jm00349a015

Standard Type	Standard Relation	Standard Value
Adduct formation	=	22.8
Adduct formation	=	2.2

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL771347

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1981
Volume: 24
Issue: 3
First Page: 241
Last Page: 251
DOI: 10.1021/jm00135a003

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Activity Comment
Activity	carcinogenic activity

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: CHEMBL636968

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1982
Volume: 25
Issue: 7
First Page: 842
Last Page: 846
DOI: 10.1021/jm00349a015

Standard Type	Standard Relation	Standard Value
Transacylation rate	=	73.2
Transacylation rate	=	0.9

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

来源：25294 靶标：N/A

External ID: cpdb

Protocol: N/A

Comment: N/A

CAS#	Chemical Code	TD50	Species	Strain	Sex	Route	Tissue	Tumor	Opinion	Historic	Xpo Time	Xpr Time	Notes	Lifetable	P-value	Lower Confidence	Upper Confidence	Plotted Symbol	Ndoses	Curve	Ndsig	Control Total	Tumors Count	Data Number	ID	Paper Number	Source	PubMed ID	Citation
78-79-5	isr	25800	Mouse	B6C3F1	Male	Inhalation	spleen	hemangiosarcoma	0	0	80	96	e	s	0.566	3460	1.0E31	$	1	0	1	49	1	8	43667	2258n	Literature	8901906	M E :Placke;Toxicology,113,253-262;1996
78-79-5	isr	247	Mouse	B6C3F1	Female	Inhalation	pituitary gland	pars distalis adenoma	+	0	80	105	e	s	0.022	97.1	1.0E31	%	2	*	2	49	1	8	43641	2258o	Literature	8901906	M E :Placke;Toxicology,113,253-262;1996
78-79-5	isr	319	Mouse	B6C3F1	Female	Inhalation	Harderian gland	adenoma	+	0	80	105	e	s	0.026	122	1.0E31	$	2	*	2	49	2	8	43642	2258o	Literature	8901906	M E :Placke;Toxicology,113,253-262;1996
78-79-5	isr	682	Mouse	B6C3F1	Female	Inhalation	spleen	hemangiosarcoma	+	h	80	105	e	s	0.096	201	1.0E31	$	2	*	2	50	1	8	43643	2258o	Literature	8901906	M E :Placke;Toxicology,113,253-262;1996
78-79-5	isr	1.0E31	Mouse	B6C3F1	Female	Inhalation	liver	hepatocellular carcinoma	0	0	80	105	e	s	1	322	1.0E31	$	2	0	2	50	2	8	43644	2258o	Literature	8901906	M E :Placke;Toxicology,113,253-262;1996
78-79-5	isr	1.0E31	Mouse	B6C3F1	Female	Inhalation	liver	hepatocellular adenoma	0	0	80	105	e	s	1	310	1.0E31	$	2	0	2	50	4	8	43645	2258o	Literature	8901906	M E :Placke;Toxicology,113,253-262;1996
78-79-5	isr	1.0E31	Mouse	B6C3F1	Female	Inhalation	lung	alveolar/bronchiolar adenoma	0	0	80	105	e	s	1	227	1.0E31	$	2	0	2	50	5	8	43646	2258o	Literature	8901906	M E :Placke;Toxicology,113,253-262;1996
78-79-5	isr	881	Mouse	B6C3F1	Male	Inhalation	Harderian gland	adenoma	+	0	80	105	e	s	0	601	1430	%	5	*	5	47	4	8	43668	2258o	Literature	8901906	M E :Placke;Toxicology,113,253-262;1996
78-79-5	isr	1570	Mouse	B6C3F1	Male	Inhalation	liver	hepatocellular adenoma	+	0	80	105	e	s	0	891	4070	$	5	*	5	50	11	8	43669	2258o	Literature	8901906	M E :Placke;Toxicology,113,253-262;1996
78-79-5	isr	1660	Mouse	B6C3F1	Male	Inhalation	lung	alveolar/bronchiolar adenoma	+	0	80	105	e	s	0	997	3620	$	5	*	5	50	11	8	43670	2258o	Literature	8901906	M E :Placke;Toxicology,113,253-262;1996
78-79-5	isr	6680	Mouse	B6C3F1	Male	Inhalation	lung	alveolar/bronchiolar carcinoma	+	0	80	105	e	s	0	4020	28800	$	5	*	5	50	0	8	43671	2258o	Literature	8901906	M E :Placke;Toxicology,113,253-262;1996
78-79-5	isr	22200	Mouse	B6C3F1	Male	Inhalation	forestomach	squamous-cell carcinoma	+	0	80	105	e	s	0.007	7680	740000	$	5	*	5	50	0	8	43672	2258o	Literature	8901906	M E :Placke;Toxicology,113,253-262;1996
78-79-5	isr	4850	Mouse	B6C3F1	Male	Inhalation	liver	hepatocellular carcinoma	+	0	80	105	e	s	0.021	2000	1.0E31	$	5	*	5	50	9	8	43673	2258o	Literature	8901906	M E :Placke;Toxicology,113,253-262;1996
78-79-5	isr	15000	Mouse	B6C3F1	Male	Inhalation	Harderian gland	carcinoma	+	0	80	105	e	s	0.016	6100	1.0E31	$	5	*	5	47	0	8	43674	2258o	Literature	8901906	M E :Placke;Toxicology,113,253-262;1996
78-79-5	isr	45000	Mouse	B6C3F1	Male	Inhalation	forestomach	squamous-cell papilloma	0	0	80	105	e	s	0.068	11100	1.0E31	$	5	*	5	50	0	8	43675	2258o	Literature	8901906	M E :Placke;Toxicology,113,253-262;1996
78-79-5	isr	39000	Mouse	B6C3F1	Male	Inhalation	heart	hemangiosarcoma	+	h	80	105	e	s	0.308	8070	1.0E31	$	5	*	5	49	0	8	43676	2258o	Literature	8901906	M E :Placke;Toxicology,113,253-262;1996
78-79-5	isr	150000	Mouse	B6C3F1	Male	Inhalation	lymphoreticular system	histiocytic sarcoma	0	0	80	105	e	s	0.821	8450	1.0E31	$	5	*	5	50	0	8	43677	2258o	Literature	8901906	M E :Placke;Toxicology,113,253-262;1996
78-79-5	isr	1.0E31	Mouse	B6C3F1	Male	Inhalation	spleen	hemangiosarcoma	0	0	80	105	e	s	1	13500	1.0E31	$	5	0	5	49	1	8	43678	2258o	Literature	8901906	M E :Placke;Toxicology,113,253-262;1996
26675-46-7	isu	30000	Mouse	Swiss Webster	Female	Inhalation	lung	alveolar-cell adenoma	-	0	78	81	0	s	0.235	8670	1.0E31	%	2	*	2	92	15	5	40370	1879	Literature	3189921	J M :Baden;Anesthesiology,69,750-753;1988
26675-46-7	isu	1.0E31	Mouse	Swiss Webster	Female	Inhalation	liver	basophil adenoma	-	0	78	81	0	s	1	36000	1.0E31	$	2	0	2	92	1	5	40371	1879	Literature	3189921	J M :Baden;Anesthesiology,69,750-753;1988

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: CHEMBL637893

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1985
Volume: 28
Issue: 10
First Page: 1453
Last Page: 1460
DOI: 10.1021/jm00148a014

Standard Type	Standard Relation	Standard Value
Log rate	=	0.09
Log rate	=	1.4
Log rate	=	0.87
Log rate	=	0.37
Log rate	=	1.79
Log rate	=	1.02
Log rate	=	1.18

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: CHEMBL629950

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: 1985
Volume: 28
Issue: 1
First Page: 18
Last Page: 24
DOI: 10.1021/jm00379a005

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
88.8	Kd	=	88800	nM
0.4	Kd	=	400	nM
5.9	Kd	=	5900	nM
128.6	Kd	=	128600	nM	Outside typical range
48.8	Kd	=	48800	nM
3.8	Kd	=	3800	nM

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

来源：ChEMBL 靶标：Cricetinae gen. sp.

External ID: CHEMBL694477

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1985
Volume: 28
Issue: 1
First Page: 18
Last Page: 24
DOI: 10.1021/jm00379a005

Target ChEMBL ID: CHEMBL612361
ChEMBL Target Name: Cricetinae gen. sp.
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
Protection	=	47.6	%
Protection	=	35.9	%
Protection	=	39.1	%
Protection	=	32.4	%
Protection	=	31.1	%
Protection	=	54.5	%

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

来源：ChEMBL 靶标：Cricetinae gen. sp.

External ID: CHEMBL694479

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1985
Volume: 28
Issue: 1
First Page: 18
Last Page: 24
DOI: 10.1021/jm00379a005

Target ChEMBL ID: CHEMBL612361
ChEMBL Target Name: Cricetinae gen. sp.
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
Protection	=	46.1	%
Protection	=	30.5	%
Protection	=	15.7	%
Protection	=	26.3	%
Protection	=	34.7	%
Protection	=	55.2	%

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

来源：ChEMBL 靶标：Cricetinae gen. sp.

External ID: CHEMBL694478

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1985
Volume: 28
Issue: 1
First Page: 18
Last Page: 24
DOI: 10.1021/jm00379a005

Target ChEMBL ID: CHEMBL612361
ChEMBL Target Name: Cricetinae gen. sp.
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
Protection	=	28.3	%
Protection	=	8	%
Protection	=	23.1	%
Protection	=	0.3	%
Protection	=	6.6	%
Protection	=	38.2	%

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：Cricetinae gen. sp.

External ID: CHEMBL693036

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1985
Volume: 28
Issue: 1
First Page: 18
Last Page: 24
DOI: 10.1021/jm00379a005

Target ChEMBL ID: CHEMBL612361
ChEMBL Target Name: Cricetinae gen. sp.
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
Protection	=	32.2	%
Protection	=	2.9	%
Protection	=	1.9	%
Protection	=	8.3	%
Protection	=	0	%
Protection	=	17.6	%

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

来源：ChEMBL 靶标：Cricetinae gen. sp.

External ID: CHEMBL693035

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1985
Volume: 28
Issue: 1
First Page: 18
Last Page: 24
DOI: 10.1021/jm00379a005

Target ChEMBL ID: CHEMBL612361
ChEMBL Target Name: Cricetinae gen. sp.
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
Protection	=	54.9	%
Protection	=	5.9	%
Protection	=	34.9	%
Protection	=	1.4	%
Protection	=	26.9	%
Protection	=	58.4	%

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：N/A

External ID: CHEMBL629678

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1985
Volume: 28
Issue: 1
First Page: 18
Last Page: 24
DOI: 10.1021/jm00379a005

Standard Type	Standard Relation	Standard Value	Standard Units
Ki	=	3.73	min-1
Ki	=	0.09	min-1
Ki	=	1.95	min-1
Ki	=	0.07	min-1
Ki	=	0.25	min-1
Ki	=	0.22	min-1
Ki	=	2.59	min-1

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

来源：ChEMBL 靶标：Cricetinae

External ID: CHEMBL629103

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: 1985
Volume: 28
Issue: 1
First Page: 18
Last Page: 24
DOI: 10.1021/jm00379a005

Target ChEMBL ID: CHEMBL613875
ChEMBL Target Name: Hamster
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
0.0209	Rate	=	20.9	nM
0.0053	Rate	=	5.3	nM
0.0205	Rate	=	20.5	nM
0.0268	Rate	=	26.8	nM
0.0201	Rate	=	20.1	nM
0.0096	Rate	=	9.6	nM

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL770573

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1981
Volume: 24
Issue: 3
First Page: 241
Last Page: 251
DOI: 10.1021/jm00135a003

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Activity Comment
Activity	carcinogenic activity
Activity	carcinogenic activity

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL769713

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1981
Volume: 24
Issue: 3
First Page: 241
Last Page: 251
DOI: 10.1021/jm00135a003

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Activity Comment
Activity	carcinogenic activity
Activity	carcinogenic activity
Activity	carcinogenic activity

53-95-2 靶点实验数据