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

来源：ChEMBL 靶标：Pseudomonas aeruginosa

External ID: CHEMBL1959667

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2012
Volume: 55
Issue: 2
First Page: 852
Last Page: 870
DOI: 10.1021/jm201349f

Target ChEMBL ID: CHEMBL348
ChEMBL Target Name: Pseudomonas aeruginosa
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	>	256	ug.mL-1
MIC	>	256	ug.mL-1
MIC	>	256	ug.mL-1
MIC	>	256	ug.mL-1
MIC	>	256	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：Pseudomonas aeruginosa

External ID: CHEMBL1959668

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2012
Volume: 55
Issue: 2
First Page: 852
Last Page: 870
DOI: 10.1021/jm201349f

Target ChEMBL ID: CHEMBL348
ChEMBL Target Name: Pseudomonas aeruginosa
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	>	256	ug.mL-1
MIC	>	256	ug.mL-1
MIC	>	256	ug.mL-1
MIC	>	256	ug.mL-1
MIC	>	256	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：N/A

External ID: CHEMBL1959671

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2012
Volume: 55
Issue: 2
First Page: 852
Last Page: 870
DOI: 10.1021/jm201349f

Standard Type	Standard Relation	Standard Value
Ratio IC50	=	60

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-IC50 for protein-ligand complexes

Protocol:

Comment:

PDBbind Data Link	Affinity_Quilifier	IC50	PubMed	Protein Target	Protein Name	MMDB	PDB
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1a5v	=	800	9560188	1A5V_A	hiv-1 integrase	47769	1A5V
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1a86	=	101	9655333	1A86_A	matrix metalloproteinase 8	103932	1A86
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1aq1	=	0.007	9334743	1AQ1_A	cell division protein kinase 2	55315	1AQ1
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1b9v	=	224	10547289	1B9V_A	neuraminidase	12109	1B9V
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1bji	=	0.002	9526556	1BJI_A	neuraminidase	55572	1BJI
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1bl6	=	0.16	9753691	1BL6_A	p38 map kinase	10741	1BL6
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1bl7	=	0.019	9753691	1BL7_A	p38 map kinase	10742	1BL7
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1bmb	=	0.7	10090780	1BMB_A	growth factor receptor bound protein 2	11943	1BMB
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1bqm	=	0.045	9813120	1BQM_A,1BQM_B	hiv-1 reverse transcriptase	8918	1BQM
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1bqo	=	0.0184	9733482	1BQO_B	stromelysin-1	10761	1BQO
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1bug	=	43	9846879	1BUG_A	catechol oxidase	11222	1BUG
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1bzs	=	0.01	10354399	1BZS_A	neutrophil collagenase (mmp8)	13354	1BZS
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1c29	=	0.472	10504236	1C29_A	tryptophan synthase	12415	1C29
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1c3i	=	1.6	10877850	1C3I_B	stromelysin-1	13815	1C3I
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1c8k	=	1	10924512	1C8K_A	glycogen phosphorylase	13391	1C8K
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1c8v	=	0.472	10504236	1C8V_A	tryptophan synthase (alpha chain)	12428	1C8V
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1cw2	=	0.715	10504236	1CW2_A	tryptophan synthase (alpha chain)	11701	1CW2
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1cx9	=	0.178	10504236	1CX9_A	tryptophan synthase (alpha chain)	11702	1CX9
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1d7x	=	0.003	10639284	1D7X_A,1D7X_B	stromelysin-1 precursor	14788	1D7X
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1dbj	=	0.021	8413674	1DBJ_L,1DBJ_H	antibody fab fragment	734	1DBJ

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: CHEMBL4888485

Protocol: N/A

Comment: 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

Data Source: MMV Malaria Hit Generation Library

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
Z score	=	1.23
Inhibition	=	-8	%
Z score	=	1.2
Inhibition	=	-11	%	Outside typical range
Z score	=	-0.08
Inhibition	=	1	%
Z score	=	2.72
Inhibition	=	-24	%	Outside typical range
Z score	=	0.82
Inhibition	=	-5	%
Z score	=	1.48
Inhibition	=	-12	%	Outside typical range
Z score	=	-10.93
Inhibition	=	57	%
Z score	=	-0.31
Inhibition	=	2	%
Z score	=	1.21
Inhibition	=	-8	%
Z score	=	-1.25
Inhibition	=	7	%

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: CHEMBL1959672

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: 2012
Volume: 55
Issue: 2
First Page: 852
Last Page: 870
DOI: 10.1021/jm201349f

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.2	IC50	=	200	nM
3.4	IC50	=	3400	nM
2.6	IC50	=	2600	nM
3.2	IC50	=	3200	nM
2	IC50	=	2000	nM

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

来源：ChEMBL 靶标：Thymidylate kinase

External ID: CHEMBL1959665

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2012
Volume: 55
Issue: 2
First Page: 852
Last Page: 870
DOI: 10.1021/jm201349f

Target ChEMBL ID: CHEMBL4388
ChEMBL Target Name: Thymidylate kinase
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	=	43	%
Inhibition	=	17	%
Inhibition	=	12	%

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: CHEMBL1959664

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2012
Volume: 55
Issue: 2
First Page: 852
Last Page: 870
DOI: 10.1021/jm201349f

Standard Type	Standard Relation	Standard Value
Ratio IC50	=	1000
Ratio IC50	=	1000
Ratio IC50	=	1000

1355152-86-1 靶点实验数据