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

来源：ChEMBL 靶标：Urease

External ID: CHEMBL3090408

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: 2013
Volume: 70
First Page: 487
Last Page: 496
DOI: 10.1016/j.ejmech.2013.10.012

Target ChEMBL ID: CHEMBL4161
ChEMBL Target Name: Urease
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
27.35	IC50	=	27350	nM
53.2	IC50	=	53200	nM
27.32	IC50	=	27320	nM
13.2	IC50	=	13200	nM
3.17	IC50	=	3170	nM
1.67	IC50	=	1670	nM
3.52	IC50	=	3520	nM
5.51	IC50	=	5510	nM
6.23	IC50	=	6230	nM
12.2	IC50	=	12200	nM
32.2	IC50	=	32200	nM
74.91	IC50	=	74910	nM
12.8	IC50	=	12800	nM
41.2	IC50	=	41200	nM
18.4	IC50	=	18400	nM
8.11	IC50	=	8110	nM
35.28	IC50	=	35280	nM
41.2	IC50	=	41200	nM
38.2	IC50	=	38200	nM

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：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：Candida tropicalis

External ID: CHEMBL3090401

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2013
Volume: 70
First Page: 487
Last Page: 496
DOI: 10.1016/j.ejmech.2013.10.012

Target ChEMBL ID: CHEMBL612870
ChEMBL Target Name: Candida tropicalis
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	Activity Comment
IZ	=	3	mm
IZ	=	3	mm
IZ				Not Active
IZ				Not Active
IZ	<	1	mm
IZ	<	1	mm
IZ	<	1	mm
IZ	<	1	mm
IZ	<	1	mm
IZ				Not Active
IZ	<	1	mm
IZ	=	1	mm
IZ	=	3	mm
IZ	<	1	mm
IZ	=	3	mm
IZ	=	3	mm
IZ	=	1	mm
IZ	=	1	mm
IZ	=	1	mm
IZ	=	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：Saccharomyces cerevisiae

External ID: CHEMBL3090402

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2013
Volume: 70
First Page: 487
Last Page: 496
DOI: 10.1016/j.ejmech.2013.10.012

Target ChEMBL ID: CHEMBL361
ChEMBL Target Name: Saccharomyces cerevisiae
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	Activity Comment
IZ	=	3	mm
IZ	=	3	mm
IZ				Not Active
IZ				Not Active
IZ	<	1	mm
IZ	<	1	mm
IZ	<	1	mm
IZ	<	1	mm
IZ	=	1	mm
IZ	<	1	mm
IZ	<	1	mm
IZ	=	1	mm
IZ	=	3	mm
IZ	<	1	mm
IZ	=	3	mm
IZ	=	3	mm
IZ	=	1	mm
IZ	<	1	mm
IZ	=	1	mm
IZ	=	3	mm

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

来源：ChEMBL 靶标：Aspergillus flavus

External ID: CHEMBL3090403

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2013
Volume: 70
First Page: 487
Last Page: 496
DOI: 10.1016/j.ejmech.2013.10.012

Target ChEMBL ID: CHEMBL614955
ChEMBL Target Name: Aspergillus flavus
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	Activity Comment
IZ	=	3	mm
IZ	=	3	mm
IZ				Not Active
IZ				Not Active
IZ	<	1	mm
IZ	<	1	mm
IZ	<	1	mm
IZ	<	1	mm
IZ	<	1	mm
IZ				Not Active
IZ	<	1	mm
IZ	=	1	mm
IZ	=	3	mm
IZ	<	1	mm
IZ	=	3	mm
IZ	=	3	mm
IZ	=	1	mm
IZ	=	1	mm
IZ	=	1	mm
IZ	=	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：Aspergillus niger

External ID: CHEMBL3090404

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2013
Volume: 70
First Page: 487
Last Page: 496
DOI: 10.1016/j.ejmech.2013.10.012

Target ChEMBL ID: CHEMBL358
ChEMBL Target Name: Aspergillus niger
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	Activity Comment
IZ	=	3	mm
IZ	=	3	mm
IZ				Not Active
IZ				Not Active
IZ	<	1	mm
IZ	<	1	mm
IZ	<	1	mm
IZ	<	1	mm
IZ	=	1	mm
IZ	<	1	mm
IZ	<	1	mm
IZ	=	1	mm
IZ	=	3	mm
IZ	<	1	mm
IZ	=	3	mm
IZ	=	3	mm
IZ	=	1	mm
IZ	<	1	mm
IZ	=	1	mm
IZ	=	3	mm

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: CHEMBL3090407

Protocol: N/A

Comment: Journal: Eur. J. Med. Chem.
Year: 2013
Volume: 70
First Page: 487
Last Page: 496
DOI: 10.1016/j.ejmech.2013.10.012

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
30.7	IC50	=	30700	nM
276	IC50	=	276000	nM	Outside typical range
23.3	IC50	=	23300	nM
114	IC50	=	114000	nM	Outside typical range
29.5	IC50	=	29500	nM
805	IC50	=	805000	nM	Outside typical range
27	IC50	=	27000	nM
265	IC50	=	265000	nM	Outside typical range
676	IC50	=	676000	nM	Outside typical range

6281-61-4 靶点实验数据