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: CHEMBL995393

Protocol: N/A

Comment: Journal: Antimicrob. Agents Chemother.
Year: 2007
Volume: 51
Issue: 12
First Page: 4492
Last Page: 4494
DOI: 10.1128/aac.00843-07

Standard Type	Standard Relation	Standard Value
Ratio CC50/EC50	=	1.25

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: CHEMBL995388

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: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 12
First Page: 4492
Last Page: 4494
DOI: 10.1128/aac.00843-07

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
25	CC50	=	25000	nM
4.99	CC50	=	4990	nM
0.0476	CC50	=	47.6	nM
100	CC50	>	100000	nM
100	CC50	>	100000	nM
100	CC50	>	100000	nM
100	CC50	>	100000	nM
78.3	CC50	=	78300	nM
100	CC50	>	100000	nM
100	CC50	>	100000	nM
100	CC50	>	100000	nM
100	CC50	>	100000	nM
48.56	CC50	=	48560	nM

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

来源：Shanghai Institute of Organic Chemistry 靶标：N/A

External ID: PDBbind-Kd for protein-ligand complexes

Protocol:

Comment:

PDBbind Data Link	Affinity_Quilifier	Kd	PubMed	Protein Target	Protein Name	MMDB	PDB
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1a1e	=	1	9174343	1A1E_B	tyrosine kinase C-src	73432	1A1E
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1a7c	<=	100	9634700	1A7C_A	plasminogen activator inhibitor type 1	97714	1A7C
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1adl	=	4.4	7929228	1ADL_A	trp rna-binding attenuation protein	55147	1ADL
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1ado	=	1	8989320	1ADO_A	fructose 1,6-bisphosphate aldolase	6825	1ADO
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1af6	=	15000	9299337	1AF6_A,1AF6_B	maltoporin	7612	1AF6
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1ag9	=	0.001	9416602	1AG9_A	flavodoxin	6827	1AG9
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1ahx	=	120	7664122	1AHX_A,1AHX_B	aspartate aminotransferase	3769	1AHX
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1ahy	=	440	7664122	1AHY_A,1AHY_B	aspartate aminotransferase	3768	1AHY
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1aj6	=	1.2	9245398	1AJ6_A	DNA gyrase b	55222	1AJ6
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1aj7	=	135	9180069	1AJ7_L,1AJ7_H	immunoglobulin 48g7 germline fab	6588	1AJ7
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1akq	=	7.9E-4	9874201	1AKQ_A	flavodoxin	55243	1AKQ
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1akr	=	8.2E-4	9622492	1AKR_A	flavodoxin	55244	1AKR
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1akt	=	0.0032	9622492	1AKT_A	flavodoxin	55245	1AKT
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1aku	=	0.746		1AKU_A	flavodoxin	55246	1AKU
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1akv	=	2.6E-6		1AKV_A	flavodoxin	55247	1AKV
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1akw	=	0.0026	9622492	1AKW_A	flavodoxin	55248	1AKW
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1amw	=	29	9230303	1AMW_A	heat shock protein 90	55278	1AMW
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1ao0	=	11	9271502	1AO0_A,1AO0_B	glutamine phosphoribosylpyrophosphate	6600	1AO0
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1apb	=	1.51	2204627	1APB_A	apolipoprotein	55308	1APB
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1aqi	=	2.4	8995524	1AQI_A	adenine-n6-dna-methyltransferase taqi	5182	1AQI

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: CHEMBL995390

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 12
First Page: 4492
Last Page: 4494
DOI: 10.1128/aac.00843-07

Standard Type	Standard Relation	Standard Value
Ratio CC50/EC50	=	4.9
Ratio CC50/EC50	=	1.98
Ratio CC50/EC50	=	5.32
Ratio CC50/EC50	=	2.99
Ratio CC50/EC50	=	3.63
Ratio CC50/EC50	=	15.97

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: CHEMBL995389

Protocol: N/A

Comment: Journal: Antimicrob. Agents Chemother.
Year: 2007
Volume: 51
Issue: 12
First Page: 4492
Last Page: 4494
DOI: 10.1128/aac.00843-07

Standard Type	Standard Relation	Standard Value
Ratio CC50/EC50	=	30.51

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：

External ID: MScreen:TargetID_600

Protocol: C-terminally 6xHis tagged CDK2/Cyclin A complex and N-terminally Flag tagged CDC25B C473S (372-566) were expressed and purified. Proteins were incubated together at a final concentration of 125 nM each for 1 hr prior to incubation with compound for 1 hr, followed by addition of anti-6xHis europium cryptate donor beads (Cisbio) and anti-Flag XL-665 acceptor beads (Cisbio) at a final dilution of 1:350 for 1 hr. 20mM potassium fluoride was added 10 minute prior to plate reading. Assay reagents were dispensed using a multidrop liquid dispenser (Thermo Scientific) onto uncoated, black, low-volume, 384-well plates (Corning). Assay plates were quantified using an Envision plate reader (Perkin-Elmer) with excitation of the europium crytate donor at 337 nm wavelength and emission of the donor at 620 nm and emission of the XL-665 acceptor at 665 nm in 18 uL volumes. Assays were performed in a buffer containing 50 mM Tris (pH 7.5), 50 mM NaCl, 10mM MgCl2, 1mM TCEP, with addition of and 1mM ATP, 0.05% BSA, and 0.05% Tween-20 immediately prior to the start of the assay.

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.

This screen was funded by NIH grant number: R01CA181185

Z_SCORE
0.28
-0.54
-0.02
0.22
0.37
-0.81
-0.26
-0.14
-0.61
-0.44
0.29
0.22
-0.12
-0.13
0.95
-0.29
-0.37
0.17
-0.64
-0.78

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

来源：ChEMBL 靶标：Betapolyomavirus hominis

External ID: CHEMBL995386

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: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 12
First Page: 4492
Last Page: 4494
DOI: 10.1128/aac.00843-07

Target ChEMBL ID: CHEMBL4888480
ChEMBL Target Name: BK polyomavirus
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
25	EC50	>	25000	nM
1.67	EC50	=	1670	nM
0.022	EC50	=	22	nM
100	EC50	>	100000	nM
100	EC50	>	100000	nM
100	EC50	>	100000	nM
100	EC50	>	100000	nM
6.35	EC50	=	6350	nM
100	EC50	>	100000	nM
100	EC50	>	100000	nM
100	EC50	>	100000	nM
100	EC50	>	100000	nM
9.81	EC50	=	9810	nM

69984-73-2 靶点实验数据