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

来源：ChEMBL 靶标：RAW264.7

External ID: CHEMBL1687079

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2011
Volume: 21
Issue: 6
First Page: 1777
Last Page: 1781
DOI: 10.1016/j.bmcl.2011.01.066

Target ChEMBL ID: CHEMBL612557
ChEMBL Target Name: RAW264.7
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	Activity Comment
Activity	Non-toxic
Activity	Non-toxic
Activity	Non-toxic
Activity	Non-toxic
Activity	Non-toxic
Activity	Non-toxic

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

来源：ChEMBL 靶标：RAW264.7

External ID: CHEMBL1687081

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: Bioorg. Med. Chem. Lett.
Year: 2011
Volume: 21
Issue: 6
First Page: 1777
Last Page: 1781
DOI: 10.1016/j.bmcl.2011.01.066

Target ChEMBL ID: CHEMBL612557
ChEMBL Target Name: RAW264.7
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
1.38	Activity	=	1.38	uM
1.38	Activity	=	1.38	uM
1.38	Activity	=	1.38	uM
1.38	Activity	=	1.38	uM

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

来源：ChEMBL 靶标：Staphylococcus aureus

External ID: CHEMBL4296184

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Target ChEMBL ID: CHEMBL352
ChEMBL Target Name: Staphylococcus aureus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: CO-ADD Antimicrobial Screening

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
10	MIC	>	10000	nM	Median N= 2; Maxinhib 24.4 Pct
20	MIC	>	20000	nM	Median N= 2; Maxinhib -0.9 Pct
5	MIC	=	5000	nM	Median N= 2
	Inhibition	=	7.42	%	Average; N=2
0.0781	MIC	<=	78.1	nM	Median N= 2
	Inhibition	=	5.44	%	Average; N=2
	Inhibition	=	-0.36	%	Average; N=2
	Inhibition	=	-1.51	%	Average; N=2
	Inhibition	=	9.71	%	Average; N=2
20	MIC	>	20000	nM	Median N= 2; Maxinhib 6.2 Pct
10	MIC	>	10000	nM	Median N= 2; Maxinhib 14.7 Pct
	Inhibition	=	13.34	%	Average; N=2
	Inhibition	=	5.78	%	Average; N=2
	Inhibition	=	15.7	%	Average; N=2
20	MIC	>	20000	nM	Median N= 2; Maxinhib 11.5 Pct
5	MIC	=	5000	nM	Median N= 2
5	MIC	=	5000	nM	Median N= 2
	Inhibition	=	9.69	%	Average; N=2
2.5	MIC	=	2500	nM	Median N= 2; Range 5 - 2.5 Um
	Inhibition	=	12.6	%	Average; N=2

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

来源：ChEMBL 靶标：HL

External ID: CHEMBL4135472

Protocol: N/A

Comment: Journal: J Nat Prod
Year: 2017
Volume: 80
Issue: 10
First Page: 2602
Last Page: 2608
DOI: 10.1021/acs.jnatprod.6b01052

Target ChEMBL ID: CHEMBL612594
ChEMBL Target Name: HL
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	Activity Comment
Activity	=	15.8	%
Activity	=	84.8	%
Activity	=	95.2	%
Activity				Toxic
Activity	=	71.1	%
Activity	=	8.8	%
Activity	=	92.3	%
Activity	=	96.3	%
Activity	=	34.6	%
Activity	=	57.1	%
Activity	=	86.6	%
Activity	=	23.7	%
Activity	=	0.1	%
Activity				Toxic
Activity	=	27.9	%
Activity	=	46	%
Activity	=	36.3	%
Activity	=	66.4	%
Activity	=	89.3	%
Activity	=	32.1	%

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

来源：ChEMBL 靶标：Chlamydia pneumoniae

External ID: CHEMBL4135473

Protocol: N/A

Comment: Journal: J Nat Prod
Year: 2017
Volume: 80
Issue: 10
First Page: 2602
Last Page: 2608
DOI: 10.1021/acs.jnatprod.6b01052

Target ChEMBL ID: CHEMBL612694
ChEMBL Target Name: Chlamydia pneumoniae
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
Inhibition	=	4.9	%
Inhibition	=	13.4	%
Inhibition	=	-3.8	%
Inhibition	=	0	%
Inhibition	=	98	%
Inhibition	=	74.8	%
Inhibition	=	35.7	%
Inhibition	=	38	%
Inhibition	=	26.8	%
Inhibition	=	35.7	%
Inhibition	=	28.2	%
Inhibition	=	30.1	%
Inhibition	=	41.7	%
Inhibition	=	2	%
Inhibition	=	5.3	%
Inhibition	=	22.1	%
Inhibition	=	-1.4	%
Inhibition	=	8.6	%
Inhibition	=	26	%
Inhibition	=	39	%

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

来源：ChEMBL 靶标：Klebsiella pneumoniae

External ID: CHEMBL4296186

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Target ChEMBL ID: CHEMBL350
ChEMBL Target Name: Klebsiella pneumoniae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: CO-ADD Antimicrobial Screening

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment	Data Validity Comment
Inhibition	=	0.93	%	Average; N=2
Inhibition	=	16.87	%	Average; N=4
Inhibition	=	14.36	%	Average; N=4
Inhibition	=	8.63	%	Average; N=2
Inhibition	=	22.77	%	Average; N=2
MIC	>	32	ug.mL-1	Median N= 2; Maxinhib 12.7 Pct
Inhibition	=	-22.42	%	Average; N=2	Outside typical range
Inhibition	=	0.23	%	Average; N=4
MIC	>	32	ug.mL-1	Median N= 2; Maxinhib 20.1 Pct
Inhibition	=	10.23	%	Average; N=4
Inhibition	=	3.15	%	Average; N=4
Inhibition	=	7.81	%	Average; N=4
Inhibition	=	-10.52	%	Average; N=4	Outside typical range
MIC	>	32	ug.mL-1	Median N= 2; Maxinhib 19.8 Pct
Inhibition	=	7.19	%	Average; N=4
Inhibition	=	6.16	%	Average; N=2
Inhibition	=	11.98	%	Average; N=4
Inhibition	=	3.45	%	Average; N=2
Inhibition	=	3.96	%	Average; N=2
Inhibition	=	4.88	%	Average; N=2

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

来源：ChEMBL 靶标：Escherichia coli

External ID: CHEMBL4296185

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Target ChEMBL ID: CHEMBL354
ChEMBL Target Name: Escherichia coli
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: CO-ADD Antimicrobial Screening

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
10	MIC	>	10000	nM	Median N= 2; Maxinhib 62.6 Pct
20	MIC	>	20000	nM	Median N= 2; Maxinhib 7.3 Pct
0.625	MIC	=	625	nM	Median N= 2
	Inhibition	=	3.55	%	Average; N=2
10	MIC	=	10000	nM	Median N= 2
	Inhibition	=	-0.79	%	Average; N=2
	Inhibition	=	-2.76	%	Average; N=2
	Inhibition	=	6.59	%	Average; N=2
	Inhibition	=	3.05	%	Average; N=2
20	MIC	>	20000	nM	Median N= 2; Maxinhib 8.1 Pct
10	MIC	>	10000	nM	Median N= 2; Maxinhib 17.5 Pct
	Inhibition	=	-6.11	%	Average; N=2
	Inhibition	=	3.59	%	Average; N=2
	Inhibition	=	-1.89	%	Average; N=2
20	MIC	>	20000	nM	Median N= 2; Maxinhib 7.5 Pct
1.25	MIC	=	1250	nM	Median N= 2; Range 2.5 - 1.25 Um
2.5	MIC	=	2500	nM	Median N= 2
	Inhibition	=	2.4	%	Average; N=2
5	MIC	=	5000	nM	Median N= 2; Range 10 - 5 Um
	Inhibition	=	-4.2	%	Average; N=2

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

来源：ChEMBL 靶标：RAW264.7

External ID: CHEMBL1687028

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: Bioorg. Med. Chem. Lett.
Year: 2011
Volume: 21
Issue: 6
First Page: 1777
Last Page: 1781
DOI: 10.1016/j.bmcl.2011.01.066

Target ChEMBL ID: CHEMBL612557
ChEMBL Target Name: RAW264.7
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
61.2	IC50	=	61200	nM
8.6	IC50	=	8600	nM
70.2	IC50	=	70200	nM
0.8	IC50	=	800	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
8.4	IC50	=	8400	nM

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

来源：ChEMBL 靶标：RAW264.7

External ID: CHEMBL1687076

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: Bioorg. Med. Chem. Lett.
Year: 2011
Volume: 21
Issue: 6
First Page: 1777
Last Page: 1781
DOI: 10.1016/j.bmcl.2011.01.066

Target ChEMBL ID: CHEMBL612557
ChEMBL Target Name: RAW264.7
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
76.3	IC50	=	76300	nM
74.8	IC50	=	74800	nM
86.4	IC50	=	86400	nM
0.01	IC50	=	10	nM
100	IC50	>	100000	nM
100	IC50	>	100000	nM
35.3	IC50	=	35300	nM

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

来源：BindingDB 靶标：N/A

External ID: BindingDB_7972_2

Protocol: N/A

Comment: Compounds with any of Ki, IC50, Kd, or EC50 activity value <= 10uM are labeled as "Active".
If multiple measurements are available for a given compound, it is labeled as "Active" if any of the measurements meet the criterion. Activity values are checked in the order of Ki, IC50, Kd, and EC50. The first entry that meets the above activity threshold is used to determine "Standard Type", "Standard Relation", and "PubChem Standard Value". Otherwise, the first non-empty entry will be used to set those values.

Standard Type	PubChem Standard Value	IC50	Target Accession(s)	Ligand	Target
IC50	72.83	72830	P22303	BDBM7460	Acetylcholinesterase
IC50	0.77	770	P22303	BDBM50203126	Acetylcholinesterase
IC50	74.68	74680	P22303	BDBM50241242	Acetylcholinesterase
IC50	84.84	84840	P22303	BDBM153265	Acetylcholinesterase
IC50	60.2	60200	P22303	BDBM226177	Acetylcholinesterase
IC50	63.41	63410	P22303	BDBM226178	Acetylcholinesterase
IC50	89.61	89610	P22303	BDBM226182	Acetylcholinesterase
IC50	89.21	89210	P22303	BDBM226183	Acetylcholinesterase
IC50	88.12	88120	P22303	BDBM226184	Acetylcholinesterase
IC50	76.87	76870	P22303	BDBM226186	Acetylcholinesterase

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: CHEMBL3406312

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2015
Volume: 25
Issue: 7
First Page: 1412
Last Page: 1416
DOI: 10.1016/j.bmcl.2015.02.048

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
50	IC50	>	50000	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM
49.86	IC50	=	49860	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM

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

来源：BindingDB 靶标：N/A

External ID: BindingDB_7972_1

Protocol: N/A

Comment: Compounds with any of Ki, IC50, Kd, or EC50 activity value <= 10uM are labeled as "Active".
If multiple measurements are available for a given compound, it is labeled as "Active" if any of the measurements meet the criterion. Activity values are checked in the order of Ki, IC50, Kd, and EC50. The first entry that meets the above activity threshold is used to determine "Standard Type", "Standard Relation", and "PubChem Standard Value". Otherwise, the first non-empty entry will be used to set those values.

Standard Type	PubChem Standard Value	IC50	Target Accession(s)	Ligand	Target
IC50	40.94	40940	P18031	BDBM7460	Tyrosine-protein phosphatase non-receptor type 1
IC50	9.43	9430	P18031	BDBM50148911	Tyrosine-protein phosphatase non-receptor type 1
IC50	71.56	71560	P18031	BDBM50241242	Tyrosine-protein phosphatase non-receptor type 1
IC50	7.14	7140	P18031	BDBM50241345	Tyrosine-protein phosphatase non-receptor type 1
IC50	100	100000	P18031	BDBM153265	Tyrosine-protein phosphatase non-receptor type 1
IC50	17.03	17030	P18031	BDBM226177	Tyrosine-protein phosphatase non-receptor type 1
IC50	100	100000	P18031	BDBM226178	Tyrosine-protein phosphatase non-receptor type 1
IC50	60.7	60700	P18031	BDBM226182	Tyrosine-protein phosphatase non-receptor type 1
IC50	100	100000	P18031	BDBM226183	Tyrosine-protein phosphatase non-receptor type 1
IC50	38.08	38080	P18031	BDBM226184	Tyrosine-protein phosphatase non-receptor type 1
IC50	100	100000	P18031	BDBM226186	Tyrosine-protein phosphatase non-receptor type 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: CHEMBL3406310

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2015
Volume: 25
Issue: 7
First Page: 1412
Last Page: 1416
DOI: 10.1016/j.bmcl.2015.02.048

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
50	IC50	>	50000	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM

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: CHEMBL3406311

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: Bioorg. Med. Chem. Lett.
Year: 2015
Volume: 25
Issue: 7
First Page: 1412
Last Page: 1416
DOI: 10.1016/j.bmcl.2015.02.048

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
50	IC50	>	50000	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM
0.07	IC50	=	70	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM
50	IC50	>	50000	nM

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: CHEMBL2060535

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2012
Volume: 22
Issue: 12
First Page: 4049
Last Page: 4054
DOI: 10.1016/j.bmcl.2012.04.081

Standard Type	Standard Units	Activity Comment
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
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: CHEMBL2060534

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2012
Volume: 22
Issue: 12
First Page: 4049
Last Page: 4054
DOI: 10.1016/j.bmcl.2012.04.081

Standard Type	Standard Units	Activity Comment
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
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: CHEMBL2060537

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2012
Volume: 22
Issue: 12
First Page: 4049
Last Page: 4054
DOI: 10.1016/j.bmcl.2012.04.081

Standard Type	Standard Units	Activity Comment
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
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：Helicobacter pylori

External ID: CHEMBL983106

Protocol: N/A

Comment: Journal: J. Nat. Prod.
Year: 2003
Volume: 66
Issue: 5
First Page: 699
Last Page: 702
DOI: 10.1021/np020472m

Target ChEMBL ID: CHEMBL612600
ChEMBL Target Name: Helicobacter pylori
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
Activity				Not Active
MIC	=	50	ug.mL-1
MIC	=	50	ug.mL-1
MIC	=	25	ug.mL-1
MIC	=	6.25	ug.mL-1
MIC	=	6.25	ug.mL-1
MIC	=	50	ug.mL-1
MIC	=	12.5	ug.mL-1
Activity				Not Active
MIC	=	25	ug.mL-1
MIC	=	50	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：Proteus mirabilis

External ID: CHEMBL983108

Protocol: N/A

Comment: Journal: J Nat Prod
Year: 2003
Volume: 66
Issue: 5
First Page: 699
Last Page: 702
DOI: 10.1021/np020472m

Target ChEMBL ID: CHEMBL614444
ChEMBL Target Name: Proteus mirabilis
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
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
MIC	=	400	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：P388

External ID: CHEMBL1002694

Protocol: N/A

Comment: Journal: J. Nat. Prod.
Year: 1979
Volume: 42
Issue: 1
First Page: 85
Last Page: 91
DOI: 10.1021/np50001a002

Target ChEMBL ID: CHEMBL389
ChEMBL Target Name: P388
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	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

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

来源：ChEMBL 靶标：Tartrate-resistant acid phosphatase type 5

External ID: CHEMBL3122966

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2014
Volume: 24
Issue: 5
First Page: 1397
Last Page: 1402
DOI: 10.1016/j.bmcl.2014.01.028

Target ChEMBL ID: CHEMBL3120042
ChEMBL Target Name: Tartrate-resistant acid phosphatase type 5
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	=	71.68	%
Inhibition	=	82.9	%
Inhibition	=	127.52	%
Inhibition	=	83.96	%

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

来源：ChEMBL 靶标：Tartrate-resistant acid phosphatase type 5

External ID: CHEMBL3122967

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2014
Volume: 24
Issue: 5
First Page: 1397
Last Page: 1402
DOI: 10.1016/j.bmcl.2014.01.028

Target ChEMBL ID: CHEMBL3120042
ChEMBL Target Name: Tartrate-resistant acid phosphatase type 5
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	Data Validity Comment
Inhibition	=	145.67	%
Inhibition	=	168.48	%	Outside typical range
Inhibition	=	259.15	%	Outside typical range
Inhibition	=	170.62	%	Outside typical range

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

来源：ChEMBL 靶标：KB

External ID: CHEMBL1002689

Protocol: N/A

Comment: Journal: J Nat Prod
Year: 1979
Volume: 42
Issue: 1
First Page: 85
Last Page: 91
DOI: 10.1021/np50001a002

Target ChEMBL ID: CHEMBL398
ChEMBL Target Name: KB
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	=	7.4	ug ml-1
ED50	=	6.7	ug ml-1
ED50	=	25	ug ml-1
ED50	=	13	ug ml-1
ED50	=	20	ug ml-1
ED50	=	25	ug ml-1
ED50	=	21	ug ml-1
ED50	>	100	ug ml-1
ED50	=	20	ug ml-1
ED50	=	22	ug ml-1
ED50	=	0.2	ug ml-1
ED50	=	2	ug ml-1
ED50	=	15	ug ml-1
ED50	=	13	ug ml-1
ED50	>	100	ug ml-1
ED50	>	100	ug ml-1
ED50	>	100	ug ml-1
ED50	=	2	ug ml-1
ED50	=	2	ug ml-1
ED50	=	41	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：Tartrate-resistant acid phosphatase type 5

External ID: CHEMBL3122968

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2014
Volume: 24
Issue: 5
First Page: 1397
Last Page: 1402
DOI: 10.1016/j.bmcl.2014.01.028

Target ChEMBL ID: CHEMBL3120042
ChEMBL Target Name: Tartrate-resistant acid phosphatase type 5
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	=	78.02	%
Inhibition	=	76.57	%
Inhibition	=	100.86	%
Inhibition	=	78.28	%

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

来源：ChEMBL 靶标：Tartrate-resistant acid phosphatase type 5

External ID: CHEMBL3122969

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2014
Volume: 24
Issue: 5
First Page: 1397
Last Page: 1402
DOI: 10.1016/j.bmcl.2014.01.028

Target ChEMBL ID: CHEMBL3120042
ChEMBL Target Name: Tartrate-resistant acid phosphatase type 5
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	Data Validity Comment
Inhibition	=	158.55	%	Outside typical range
Inhibition	=	155.6	%	Outside typical range
Inhibition	=	204.96	%	Outside typical range
Inhibition	=	159.09	%	Outside typical range

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

来源：ChEMBL 靶标：Acinetobacter baumannii

External ID: CHEMBL4296188

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Target ChEMBL ID: CHEMBL614425
ChEMBL Target Name: Acinetobacter baumannii
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: CO-ADD Antimicrobial Screening

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
10	MIC	>	10000	nM	Median N= 2; Maxinhib 10.4 Pct
20	MIC	>	20000	nM	Median N= 2; Maxinhib 10.3 Pct
5	MIC	=	5000	nM	Median N= 2
	Inhibition	=	22.02	%	Average; N=2
10	MIC	>	10000	nM	Median N= 2; Maxinhib 7.2 Pct
	Inhibition	=	0.29	%	Average; N=2
	Inhibition	=	13.44	%	Average; N=2
	Inhibition	=	15.75	%	Average; N=2
	Inhibition	=	30.31	%	Average; N=2
20	MIC	>	20000	nM	Median N= 2; Maxinhib 19.9 Pct
10	MIC	>	10000	nM	Median N= 2; Maxinhib 13.5 Pct
	Inhibition	=	12.68	%	Average; N=2
	Inhibition	=	8.04	%	Average; N=2
	Inhibition	=	21.28	%	Average; N=2
20	MIC	>	20000	nM	Median N= 2; Maxinhib 17.6 Pct
10	MIC	>	10000	nM	Median N= 2; Maxinhib 10.9 Pct
20	MIC	>	20000	nM	Median N= 2; Maxinhib 24.8 Pct
	Inhibition	=	19.94	%	Average; N=2
10	MIC	>	10000	nM	Median N= 2; Maxinhib 15.2 Pct
	Inhibition	=	19.7	%	Average; N=2

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: CHEMBL983109

Protocol: N/A

Comment: Journal: J. Nat. Prod.
Year: 2003
Volume: 66
Issue: 5
First Page: 699
Last Page: 702
DOI: 10.1021/np020472m

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	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

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: CHEMBL4296187

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

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

Data Source: CO-ADD Antimicrobial Screening

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment	Data Validity Comment
Inhibition	=	10.84	%	Average; N=1
Inhibition	=	14.55	%	Average; N=1
Inhibition	=	-13.46	%	Average; N=1	Outside typical range
Inhibition	=	21.47	%	Average; N=2
Inhibition	=	32.07	%	Average; N=1
Inhibition	=	2.27	%	Average; N=1
Inhibition	=	-21.74	%	Average; N=1	Outside typical range
Inhibition	=	9.41	%	Average; N=1
Inhibition	=	19.34	%	Average; N=1
Inhibition	=	-25.08	%	Average; N=1	Outside typical range
Inhibition	=	9.21	%	Average; N=4
Inhibition	=	15.98	%	Average; N=4
Inhibition	=	8.03	%	Average; N=1
Inhibition	=	-1.26	%	Average; N=1
Inhibition	=	6.81	%	Average; N=1
Inhibition	=	-8.48	%	Average; N=1
Inhibition	=	25.25	%	Average; N=1
Inhibition	=	44.67	%	Average; N=1
Inhibition	=	1.69	%	Average; N=1
Inhibition	=	2.93	%	Average; N=1

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

来源：ChEMBL 靶标：Mycobacterium tuberculosis

External ID: CHEMBL1016780

Protocol: N/A

Comment: Journal: J Nat Prod
Year: 2004
Volume: 67
Issue: 4
First Page: 598
Last Page: 603
DOI: 10.1021/np0303411

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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	>	128	ug.mL-1
MIC	=	8	ug.mL-1
MIC	>	128	ug.mL-1
MIC	=	94	ug.mL-1
MIC	=	64	ug.mL-1
MIC	=	4	ug.mL-1
MIC	=	128	ug.mL-1
MIC	>	128	ug.mL-1
MIC	=	13.4	ug.mL-1
MIC	=	0.06	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：Cryptococcus neoformans

External ID: CHEMBL4296190

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Target ChEMBL ID: CHEMBL365
ChEMBL Target Name: Cryptococcus neoformans
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: CO-ADD Antimicrobial Screening

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment	Data Validity Comment
10	MIC	>	10000	nM	Median N= 2; Maxinhib 9.6 Pct
	Inhibition	=	-7.36	%	Average; N=2; Conc=25 Um ;
20	MIC	>	20000	nM	Median N= 2; Maxinhib 17.1 Pct
10	MIC	>	10000	nM	Median N= 2; Maxinhib 6.5 Pct
	Inhibition	=	-5.61	%	Average; N=2
10	MIC	>	10000	nM	Median N= 2; Maxinhib 7.2 Pct
	Inhibition	=	-0.18	%	Average; N=2
	Inhibition	=	-8.54	%	Average; N=2
	Inhibition	=	-5.03	%	Average; N=2
	Inhibition	=	-1.5	%	Average; N=2
20	MIC	>	20000	nM	Median N= 2; Maxinhib 8.8 Pct
0.1563	MIC	=	156.3	nM	Median N= 2
	Inhibition	=	-9.6	%	Average; N=2; Conc=25 Um ;
	Inhibition	=	-0.09	%	Average; N=2
	Inhibition	=	-3.07	%	Average; N=2
	Inhibition	=	-2.97	%	Average; N=2
20	MIC	>	20000	nM	Median N= 2; Maxinhib 9.3 Pct
	Inhibition	=	-12.66	%	Average; N=2; Conc=25 Um ;	Outside typical range
10	MIC	>	10000	nM	Median N= 2; Maxinhib 4.5 Pct
20	MIC	>	20000	nM	Median N= 2; Maxinhib 9.3 Pct

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

来源：ChEMBL 靶标：Candida albicans

External ID: CHEMBL4296189

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Target ChEMBL ID: CHEMBL366
ChEMBL Target Name: Candida albicans
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: CO-ADD Antimicrobial Screening

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
10	MIC	>	10000	nM	Median N= 2; Maxinhib 3.0 Pct
	Inhibition	=	8.04	%	Average; N=2; Conc=25 Um ;
20	MIC	>	20000	nM	Median N= 2; Maxinhib 7.4 Pct
10	MIC	>	10000	nM	Median N= 2; Maxinhib 4.8 Pct
	Inhibition	=	3.92	%	Average; N=2
10	MIC	>	10000	nM	Median N= 2; Maxinhib 10.4 Pct
	Inhibition	=	-0.23	%	Average; N=2
	Inhibition	=	0.3	%	Average; N=2
	Inhibition	=	-0.48	%	Average; N=2
	Inhibition	=	2.62	%	Average; N=2
20	MIC	>	20000	nM	Median N= 2; Maxinhib 8.0 Pct
0.0781	MIC	<=	78.1	nM	Median N= 2
	Inhibition	=	-3.39	%	Average; N=2; Conc=25 Um ;
	Inhibition	=	5.22	%	Average; N=2
	Inhibition	=	3.37	%	Average; N=2
	Inhibition	=	4.56	%	Average; N=2
20	MIC	>	20000	nM	Median N= 2; Maxinhib 3.4 Pct
	Inhibition	=	-0.73	%	Average; N=2; Conc=25 Um ;
10	MIC	>	10000	nM	Median N= 2; Maxinhib 7.9 Pct
20	MIC	>	20000	nM	Median N= 2; Maxinhib 1.4 Pct

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

来源：NCGC 靶标：Luciferase [Photinus pyralis]

External ID: FLUC100

Protocol: NCGC Assay Protocol Summary:

Reagents: 50mM Tris acetate, pH 7.5; 10mM Mg acetate; 10uM D-luciferin (Sigma #L9504); 10uM ATP; 0.01% Tween-20; 0.05% BSA; 10nM P. pyralis luciferase (Sigma #L9506)
Control compounds used were two known firefly luciferase inhibitors (compounds (2) and (5) in Auld et al., 2010), and DMSO.

Assay Summary:
Three microliters containing firefly luciferase substrates in buffer (final concentrations: 50mM Tris acetate, pH 7.5, 10mM Mg acetate, 0.01% Tween-20, 0.05% BSA, 10uM D-luciferin, and 10uM ATP) are dispensed into each well of a Greiner white, solid-bottom 1536-well format plate using a flying reagent dispenser (FRD). These assay plates were then treated with 23nL of compound or DMSO using a Kalypsys pin tool, which allows for delivery of a 6-point interplate titration of each compound to the assay plate (quantitative HTS), with a final compound concentrations ranging from approximately 60muM to 7pM. One microliter of firefly luciferase in 500mM Tris-acetate buffer was then delivered by FRD to each well for a final enzyme concentration of 10nM. Luciferase activity was then measured using a ViewLux CCD imager (PerkinElmer), with an average exposure time of 2-30 seconds (2X binning, medium/high gain).

Keywords: NIH Roadmap, MLPCN, MLSMR, qHTS, miR-21, firefly luciferase, FLuc, miRNA.

Comment: Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.
2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.

Phenotype	Potency	Efficacy	Curve_Description	Fit_LogAC50	Fit_HillSlope	Fit_R2	Fit_InfiniteActivity	Fit_ZeroActivity	Fit_CurveClass	Excluded_Points	Max_Response	Activity at 0.00368 uM	Activity at 0.092 uM	Activity at 0.460 uM	Activity at 2.300 uM	Activity at 11.50 uM	Activity at 57.50 uM	Compound QC
Inactive									4		0.644	1.422	0.841	6.7312	0.9199	0.7976	0.644	QC'd by "DPISMR"
Inactive									4		2.3435	2.1521	2.9689	2.7416	2.8472	0.4111	2.3435	QC'd by "DPISMR"
Inactive									4		0.0015	0.3102	-2.0273	1.3352	0.1332	-0.3094	0.0015	QC'd by "DPISMR"
Inactive									4	0 0 0 0 0 0	-0.1716	1.865	2.0294	6.4476	2.3796	1.0274	-0.1716	QC'd by "DPISMR"
Inactive									4	0 0 0 0 0 0	1.007	-2.7011	-0.1708	6.4991	2.0041	2.0967	1.007	QC'd by "DPISMR"
Inactive									4	0 0 0 0 0 0	-1.1179	0.2049	6.1966	-2.3909	-2.1607	3.3301	-1.1179	QC'd by "DPISMR"
Inactive									4		1.0949	2.8758	2.7284	1.683	2.3968	1.1492	1.0949	QC'd by "Enamine"
Inactive									4		11.7061	14.5237	13.6692	3.9103	14.4002	15.0123	11.7061	QC'd by "DPISMR"
Inactive									4		-0.8885	1.6365	3.5919	1.1642	3.1773	0.4167	-0.8885	QC'd by "Enamine"
Inactive									4		1.4599	-0.538	2.5346	2.3752	3.3567	0.7721	1.4599	QC'd by "DPISMR"
Inactive									4		-0.0427	1.2187	1.9255	1.5493	2.9677	0.0419	-0.0427	QC'd by "DPISMR"
Inhibitor	37.933	35.7734	Partial curve; partial efficacy; poor fit	-4.421	4.9549	0.9772	-33.7734	2	-2.4	0 0 0 0 0 0	-29.8112	0.9245	5.218	-0.1723	1.0843	3.5778	-29.8112	QC'd by "DPISMR"
Inactive									4	0 0 0 0 0 0	-8.1569	1.3366	0.0372	1.4317	2.1732	-0.2051	-8.1569	QC'd by "DPISMR"
Inactive									4	0 0 0 0 0 0	-2.0656	0.9492	2.3965	1.2731	1.4874	4.6957	-2.0656	QC'd by "DPISMR"
Inactive									4		0.7593	1.3159	1.7201	1.7134	1.9314	3.1668	0.7593	QC'd by "DPISMR"
Inactive									4		0.76	2.9569	4.6913	4.9933	3.6857	2.5801	0.76	QC'd by "DPISMR"
Inhibitor	26.8545	26.7655	Partial curve; partial efficacy; poor fit	-4.571	4.5045	0.9889	-26.7655	0	-2.4	0 0 0 0 0 0	-26.0546	-0.3971	1.531	0.1508	-1.9239	-0.6216	-26.0546	QC'd by "Enamine"
Inactive									4		1.7276	0.5936	2.4796	2.8662	2.8768	1.6972	1.7276	QC'd by "DPISMR"
Inactive									4		-0.1439	-1.2403	0.0246	-0.2502	1.0119	-0.5561	-0.1439	QC'd by "DPISMR"
Inactive									4	0 0 0 0 0 0	-3.3497	0.6868	2.3313	-0.2471	1.6909	-0.0071	-3.3497	QC'd by "DPISMR"

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

来源：ChEMBL 靶标：N9

External ID: CHEMBL4001904

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2017
Volume: 27
Issue: 4
First Page: 973
Last Page: 978
DOI: 10.1016/j.bmcl.2016.12.075

Target ChEMBL ID: CHEMBL613516
ChEMBL Target Name: N9
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	Activity Comment
Activity	Non-Toxic
Activity	Non-Toxic
Activity	Non-Toxic
Activity	Non-Toxic
Activity	Non-Toxic
Activity	Non-Toxic
Activity	Non-Toxic
Activity	Non-Toxic
Activity	Non-Toxic
Activity	Non-Toxic
Activity	Non-Toxic

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

来源：ChEMBL 靶标：N9

External ID: CHEMBL4001903

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: Bioorg Med Chem Lett
Year: 2017
Volume: 27
Issue: 4
First Page: 973
Last Page: 978
DOI: 10.1016/j.bmcl.2016.12.075

Target ChEMBL ID: CHEMBL613516
ChEMBL Target Name: N9
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
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
100	IC50	>	100000	nM
68.02	IC50	=	68020	nM
	Inhibition			%	Dose-dependent effect
2.68	IC50	=	2680	nM
	Inhibition			%	Dose-dependent effect
100	IC50	>	100000	nM
17.87	IC50	=	17870	nM
	Inhibition			%	Dose-dependent effect
100	IC50	>	100000	nM
45.54	IC50	=	45540	nM
	Inhibition			%	Dose-dependent effect
100	IC50	>	100000	nM
100	IC50	>	100000	nM
17.43	IC50	=	17430	nM
	Inhibition			%	Dose-dependent effect
75.2	IC50	=	75200	nM
	Inhibition			%	Dose-dependent effect
100	IC50	>	100000	nM
11.21	IC50	=	11210	nM
	Inhibition			%	Dose-dependent effect

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: CHEMBL1942347

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: Bioorg Med Chem Lett
Year: 2012
Volume: 22
Issue: 2
First Page: 1099
Last Page: 1102
DOI: 10.1016/j.bmcl.2011.11.109

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
	IC50	>	10	ug.mL-1
8.91	IC50	=	8910	nM
3.45	IC50	=	3450	nM
9.03	IC50	=	9030	nM
	IC50	>	10	ug.mL-1
	IC50	>	10	ug.mL-1
	IC50	>	10	ug.mL-1
	IC50	>	10	ug.mL-1
	IC50	>	10	ug.mL-1
	IC50	>	10	ug.mL-1
6.93	IC50	=	6930	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: CHEMBL826763

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2004
Volume: 14
Issue: 15
First Page: 3949
Last Page: 3952
DOI: 10.1016/j.bmcl.2004.05.061

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	Standard Relation	Standard Value	Standard Units
Maximal relaxation	=	45.9	%
Maximal relaxation	=	70.2	%
Maximal relaxation	=	80.8	%
Maximal relaxation	=	92.7	%
Maximal relaxation	=	24.7	%
Maximal relaxation	=	34	%
Maximal relaxation	=	36.2	%

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: CHEMBL3122970

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2014
Volume: 24
Issue: 5
First Page: 1397
Last Page: 1402
DOI: 10.1016/j.bmcl.2014.01.028

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
Activity	=	103.24	%
Activity	=	107.58	%
Activity	=	104.72	%
Activity	=	111.92	%

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: CHEMBL3122971

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2014
Volume: 24
Issue: 5
First Page: 1397
Last Page: 1402
DOI: 10.1016/j.bmcl.2014.01.028

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
Activity	=	173.94	%
Activity	=	181.25	%
Activity	=	176.44	%
Activity	=	188.57	%

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

来源：ChEMBL 靶标：Cryptococcus neoformans

External ID: CHEMBL4842018

Protocol: N/A

Comment: Journal: J Nat Prod
Year: 2021
Volume: 84
Issue: 11.0
First Page: 2832
Last Page: 2844
DOI: 10.1021/acs.jnatprod.1c00509

Target ChEMBL ID: CHEMBL365
ChEMBL Target Name: Cryptococcus neoformans
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	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：NON-PROTEIN TARGET

External ID: CHEMBL3122972

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2014
Volume: 24
Issue: 5
First Page: 1397
Last Page: 1402
DOI: 10.1016/j.bmcl.2014.01.028

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
Activity	=	100.09	%
Activity	=	112.49	%
Activity	=	96.59	%
Activity	=	105.69	%

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

来源：ChEMBL 靶标：Escherichia coli

External ID: CHEMBL4842017

Protocol: N/A

Comment: Journal: J Nat Prod
Year: 2021
Volume: 84
Issue: 11.0
First Page: 2832
Last Page: 2844
DOI: 10.1021/acs.jnatprod.1c00509

Target ChEMBL ID: CHEMBL354
ChEMBL Target Name: Escherichia coli
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	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：NON-PROTEIN TARGET

External ID: CHEMBL3122973

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2014
Volume: 24
Issue: 5
First Page: 1397
Last Page: 1402
DOI: 10.1016/j.bmcl.2014.01.028

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
Activity	=	233.08	%
Activity	=	261.95	%
Activity	=	224.92	%
Activity	=	246.13	%

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: CHEMBL3122974

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2014
Volume: 24
Issue: 5
First Page: 1397
Last Page: 1402
DOI: 10.1016/j.bmcl.2014.01.028

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

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
25.66	Activity	=	25.66	uM
29.9	Activity	=	29.9	uM
34.72	Activity	=	34.72	uM

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: CHEMBL3122975

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2014
Volume: 24
Issue: 5
First Page: 1397
Last Page: 1402
DOI: 10.1016/j.bmcl.2014.01.028

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	Activity Comment
Activity	Dose-dependent effect
Activity	Dose-dependent effect
Activity	Dose-dependent effect
Activity	Dose-dependent effect

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

来源：ChEMBL 靶标：Bifunctional epoxide hydrolase 2

External ID: CHEMBL3243098

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2014
Volume: 24
Issue: 8
First Page: 1895
Last Page: 1900
DOI: 10.1016/j.bmcl.2014.03.014

Target ChEMBL ID: CHEMBL2409
ChEMBL Target Name: Epoxide hydratase
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	>	40	%
Inhibition	>	40	%
Inhibition	>	40	%
Inhibition	>	40	%
Inhibition	>	40	%
Inhibition	<	40	%
Inhibition	>	40	%
Inhibition	>	40	%
Inhibition	>	40	%
Inhibition	>	40	%
Inhibition	>	40	%
Inhibition	>	40	%

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: CHEMBL3122976

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: Bioorg. Med. Chem. Lett.
Year: 2014
Volume: 24
Issue: 5
First Page: 1397
Last Page: 1402
DOI: 10.1016/j.bmcl.2014.01.028

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

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
4.49	Activity	=	4.49	uM
5.42	Activity	=	5.42	uM
5.22	Activity	=	5.22	uM

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

来源：ChEMBL 靶标：RAW264.7

External ID: CHEMBL3243100

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2014
Volume: 24
Issue: 8
First Page: 1895
Last Page: 1900
DOI: 10.1016/j.bmcl.2014.03.014

Target ChEMBL ID: CHEMBL612557
ChEMBL Target Name: RAW264.7
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	Activity Comment
Activity	Non-toxic
Activity	Non-toxic
Activity	Non-toxic
Activity	Non-toxic
Activity	Non-toxic
Activity	Non-toxic
Activity	Non-toxic
Activity	Non-toxic
Activity	Non-toxic
Activity	Non-toxic
Activity	Non-toxic
Activity	Non-toxic
Activity	Non-toxic
Activity	Non-toxic
Activity	Non-toxic
Activity	Non-toxic

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

来源：ChEMBL 靶标：Bifunctional epoxide hydrolase 2

External ID: CHEMBL3243099

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: Bioorg. Med. Chem. Lett.
Year: 2014
Volume: 24
Issue: 8
First Page: 1895
Last Page: 1900
DOI: 10.1016/j.bmcl.2014.03.014

Target ChEMBL ID: CHEMBL2409
ChEMBL Target Name: Epoxide hydratase
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
24.3	IC50	=	24300	nM
41.72	IC50	=	41720	nM
50	IC50	>	50000	nM
28.43	IC50	=	28430	nM
18.05	IC50	=	18050	nM
27.43	IC50	=	27430	nM
17.23	IC50	=	17230	nM
36.14	IC50	=	36140	nM
23.81	IC50	=	23810	nM
18.64	IC50	=	18640	nM

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

来源：ChEMBL 靶标：RAW264.7

External ID: CHEMBL3243102

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2014
Volume: 24
Issue: 8
First Page: 1895
Last Page: 1900
DOI: 10.1016/j.bmcl.2014.03.014

Target ChEMBL ID: CHEMBL612557
ChEMBL Target Name: RAW264.7
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 Units	Activity Comment
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
Inhibition	%	Not Active
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：RAW264.7

External ID: CHEMBL3243101

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2014
Volume: 24
Issue: 8
First Page: 1895
Last Page: 1900
DOI: 10.1016/j.bmcl.2014.03.014

Target ChEMBL ID: CHEMBL612557
ChEMBL Target Name: RAW264.7
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	Activity Comment
Inhibition				Not Active
Inhibition				Not Active
Inhibition	=	35.1	%
Inhibition				Active
Inhibition				Not Active
Inhibition				Not Active
Inhibition				Active
Inhibition				Not Active
Inhibition				Not Active
Inhibition				Active
Inhibition				Not Active
Inhibition				Not Active
Inhibition				Active
Inhibition	=	30	%
Inhibition				Not Active
Inhibition				Active

482-35-9 靶点实验数据