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3544-35-2 靶点实验数据

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: CHEMBL3137727
Protocol: N/A
Comment: Journal: Gastroenterol Clin Biol
Year: 2004
Volume: 28
Issue: 8-9
First Page: 720
Last Page: 759
DOI: 10.1016/s0399-8320(04)95062-2
Standard TypeStandard RelationStandard ValueActivity Comment
Hepatotoxicity (choleostasis)=3references out of a total of 9
Hepatotoxicity (choleostasis)=3references out of a total of 5
Hepatotoxicity (choleostasis)=2references out of a total of 15
Hepatotoxicity (choleostasis)=10references out of a total of 15
Hepatotoxicity (choleostasis)=0references out of a total of 6
Hepatotoxicity (choleostasis)=6references out of a total of 31
Hepatotoxicity (choleostasis)=12references out of a total of 33
Hepatotoxicity (choleostasis)=1references out of a total of 2
Hepatotoxicity (choleostasis)=10references out of a total of 33
Hepatotoxicity (choleostasis)=1references out of a total of 33
Hepatotoxicity (choleostasis)=11references out of a total of 69
Hepatotoxicity (choleostasis)=0references out of a total of 1
Hepatotoxicity (choleostasis)=4references out of a total of 58
Hepatotoxicity (choleostasis)=55references out of a total of 90
Hepatotoxicity (choleostasis)=1references out of a total of 5
Hepatotoxicity (choleostasis)=0references out of a total of 1
Hepatotoxicity (choleostasis)=2references out of a total of 6
Hepatotoxicity (choleostasis)=0references out of a total of 4
Hepatotoxicity (choleostasis)=0references out of a total of 8
Hepatotoxicity (choleostasis)=0references out of a total of 16
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: CHEMBL3137728
Protocol: N/A
Comment: Journal: Gastroenterol Clin Biol
Year: 2004
Volume: 28
Issue: 8-9
First Page: 720
Last Page: 759
DOI: 10.1016/s0399-8320(04)95062-2
Standard TypeStandard RelationStandard ValueActivity Comment
Hepatotoxicity (severe hepatitis)=0references out of a total of 1
Hepatotoxicity (severe hepatitis)=2references out of a total of 69
Hepatotoxicity (severe hepatitis)=0references out of a total of 5
Hepatotoxicity (severe hepatitis)=5references out of a total of 27
Hepatotoxicity (severe hepatitis)=0references out of a total of 13
Hepatotoxicity (severe hepatitis)=0references out of a total of 1
Hepatotoxicity (severe hepatitis)=5references out of a total of 132
Hepatotoxicity (severe hepatitis)=0references out of a total of 23
Hepatotoxicity (severe hepatitis)=0references out of a total of 1
Hepatotoxicity (severe hepatitis)=0references out of a total of 9
Hepatotoxicity (severe hepatitis)=5references out of a total of 34
Hepatotoxicity (severe hepatitis)=1references out of a total of 5
Hepatotoxicity (severe hepatitis)=21references out of a total of 53
Hepatotoxicity (severe hepatitis)=1references out of a total of 1
Hepatotoxicity (severe hepatitis)=1references out of a total of 14
Hepatotoxicity (severe hepatitis)=0references out of a total of 5
Hepatotoxicity (severe hepatitis)=0references out of a total of 3
Hepatotoxicity (severe hepatitis)=1references out of a total of 16
Hepatotoxicity (severe hepatitis)=14references out of a total of 123
Hepatotoxicity (severe hepatitis)=0references out of a total of 4
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: CHEMBL3137729
Protocol: N/A
Comment: Journal: Gastroenterol Clin Biol
Year: 2004
Volume: 28
Issue: 8-9
First Page: 720
Last Page: 759
DOI: 10.1016/s0399-8320(04)95062-2
Standard TypeStandard RelationStandard ValueActivity Comment
Hepatotoxicity (chronic liver disease)=0references out of a total of 1
Hepatotoxicity (chronic liver disease)=0references out of a total of 69
Hepatotoxicity (chronic liver disease)=0references out of a total of 5
Hepatotoxicity (chronic liver disease)=0references out of a total of 27
Hepatotoxicity (chronic liver disease)=0references out of a total of 13
Hepatotoxicity (chronic liver disease)=0references out of a total of 1
Hepatotoxicity (chronic liver disease)=1references out of a total of 132
Hepatotoxicity (chronic liver disease)=0references out of a total of 23
Hepatotoxicity (chronic liver disease)=0references out of a total of 1
Hepatotoxicity (chronic liver disease)=0references out of a total of 9
Hepatotoxicity (chronic liver disease)=1references out of a total of 34
Hepatotoxicity (chronic liver disease)=0references out of a total of 5
Hepatotoxicity (chronic liver disease)=1references out of a total of 53
Hepatotoxicity (chronic liver disease)=0references out of a total of 1
Hepatotoxicity (chronic liver disease)=0references out of a total of 14
Hepatotoxicity (chronic liver disease)=0references out of a total of 5
Hepatotoxicity (chronic liver disease)=0references out of a total of 3
Hepatotoxicity (chronic liver disease)=0references out of a total of 16
Hepatotoxicity (chronic liver disease)=6references out of a total of 123
Hepatotoxicity (chronic liver disease)=0references out of a total of 4
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: CHEMBL3137730
Protocol: N/A
Comment: Journal: Gastroenterol Clin Biol
Year: 2004
Volume: 28
Issue: 8-9
First Page: 720
Last Page: 759
DOI: 10.1016/s0399-8320(04)95062-2
Standard TypeStandard RelationStandard ValueActivity Comment
Hepatotoxicity (cirrhosis)=0references out of a total of 1
Hepatotoxicity (cirrhosis)=0references out of a total of 69
Hepatotoxicity (cirrhosis)=0references out of a total of 5
Hepatotoxicity (cirrhosis)=0references out of a total of 27
Hepatotoxicity (cirrhosis)=0references out of a total of 13
Hepatotoxicity (cirrhosis)=0references out of a total of 1
Hepatotoxicity (cirrhosis)=0references out of a total of 132
Hepatotoxicity (cirrhosis)=0references out of a total of 23
Hepatotoxicity (cirrhosis)=0references out of a total of 1
Hepatotoxicity (cirrhosis)=0references out of a total of 9
Hepatotoxicity (cirrhosis)=0references out of a total of 34
Hepatotoxicity (cirrhosis)=0references out of a total of 5
Hepatotoxicity (cirrhosis)=0references out of a total of 53
Hepatotoxicity (cirrhosis)=0references out of a total of 1
Hepatotoxicity (cirrhosis)=0references out of a total of 14
Hepatotoxicity (cirrhosis)=0references out of a total of 5
Hepatotoxicity (cirrhosis)=0references out of a total of 3
Hepatotoxicity (cirrhosis)=0references out of a total of 16
Hepatotoxicity (cirrhosis)=0references out of a total of 123
Hepatotoxicity (cirrhosis)=0references out of a total of 4
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: CHEMBL3137731
Protocol: N/A
Comment: Journal: Gastroenterol Clin Biol
Year: 2004
Volume: 28
Issue: 8-9
First Page: 720
Last Page: 759
DOI: 10.1016/s0399-8320(04)95062-2

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 TypeStandard RelationStandard ValueActivity Comment
Hepatotoxicity (granulomatous hepatitis)=0references out of a total of 1
Hepatotoxicity (granulomatous hepatitis)=1references out of a total of 69
Hepatotoxicity (granulomatous hepatitis)=0references out of a total of 5
Hepatotoxicity (granulomatous hepatitis)=0references out of a total of 27
Hepatotoxicity (granulomatous hepatitis)=0references out of a total of 13
Hepatotoxicity (granulomatous hepatitis)=0references out of a total of 1
Hepatotoxicity (granulomatous hepatitis)=0references out of a total of 132
Hepatotoxicity (granulomatous hepatitis)=0references out of a total of 23
Hepatotoxicity (granulomatous hepatitis)=0references out of a total of 1
Hepatotoxicity (granulomatous hepatitis)=0references out of a total of 9
Hepatotoxicity (granulomatous hepatitis)=0references out of a total of 34
Hepatotoxicity (granulomatous hepatitis)=0references out of a total of 5
Hepatotoxicity (granulomatous hepatitis)=1references out of a total of 53
Hepatotoxicity (granulomatous hepatitis)=0references out of a total of 1
Hepatotoxicity (granulomatous hepatitis)=1references out of a total of 14
Hepatotoxicity (granulomatous hepatitis)=0references out of a total of 5
Hepatotoxicity (granulomatous hepatitis)=0references out of a total of 3
Hepatotoxicity (granulomatous hepatitis)=0references out of a total of 16
Hepatotoxicity (granulomatous hepatitis)=5references out of a total of 123
Hepatotoxicity (granulomatous hepatitis)=0references out of a total of 4
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: CHEMBL3137732
Protocol: N/A
Comment: Journal: Gastroenterol Clin Biol
Year: 2004
Volume: 28
Issue: 8-9
First Page: 720
Last Page: 759
DOI: 10.1016/s0399-8320(04)95062-2
Standard TypeStandard RelationStandard ValueActivity Comment
Hepatotoxicity (association with vascular disease)=0references out of a total of 1
Hepatotoxicity (association with vascular disease)=0references out of a total of 69
Hepatotoxicity (association with vascular disease)=0references out of a total of 5
Hepatotoxicity (association with vascular disease)=0references out of a total of 27
Hepatotoxicity (association with vascular disease)=0references out of a total of 13
Hepatotoxicity (association with vascular disease)=0references out of a total of 1
Hepatotoxicity (association with vascular disease)=0references out of a total of 132
Hepatotoxicity (association with vascular disease)=0references out of a total of 23
Hepatotoxicity (association with vascular disease)=0references out of a total of 1
Hepatotoxicity (association with vascular disease)=0references out of a total of 9
Hepatotoxicity (association with vascular disease)=0references out of a total of 34
Hepatotoxicity (association with vascular disease)=0references out of a total of 5
Hepatotoxicity (association with vascular disease)=0references out of a total of 53
Hepatotoxicity (association with vascular disease)=0references out of a total of 1
Hepatotoxicity (association with vascular disease)=0references out of a total of 14
Hepatotoxicity (association with vascular disease)=0references out of a total of 5
Hepatotoxicity (association with vascular disease)=0references out of a total of 3
Hepatotoxicity (association with vascular disease)=1references out of a total of 16
Hepatotoxicity (association with vascular disease)=0references out of a total of 123
Hepatotoxicity (association with vascular disease)=2references out of a total of 4
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: CHEMBL3137733
Protocol: N/A
Comment: Journal: Gastroenterol Clin Biol
Year: 2004
Volume: 28
Issue: 8-9
First Page: 720
Last Page: 759
DOI: 10.1016/s0399-8320(04)95062-2
Standard TypeStandard RelationStandard ValueActivity Comment
Hepatotoxicity (steatosis)=0references out of a total of 1
Hepatotoxicity (steatosis)=0references out of a total of 69
Hepatotoxicity (steatosis)=0references out of a total of 5
Hepatotoxicity (steatosis)=0references out of a total of 27
Hepatotoxicity (steatosis)=0references out of a total of 13
Hepatotoxicity (steatosis)=0references out of a total of 1
Hepatotoxicity (steatosis)=1references out of a total of 132
Hepatotoxicity (steatosis)=0references out of a total of 23
Hepatotoxicity (steatosis)=0references out of a total of 1
Hepatotoxicity (steatosis)=0references out of a total of 9
Hepatotoxicity (steatosis)=0references out of a total of 34
Hepatotoxicity (steatosis)=0references out of a total of 5
Hepatotoxicity (steatosis)=2references out of a total of 53
Hepatotoxicity (steatosis)=0references out of a total of 1
Hepatotoxicity (steatosis)=0references out of a total of 14
Hepatotoxicity (steatosis)=0references out of a total of 5
Hepatotoxicity (steatosis)=0references out of a total of 3
Hepatotoxicity (steatosis)=0references out of a total of 16
Hepatotoxicity (steatosis)=4references out of a total of 123
Hepatotoxicity (steatosis)=0references out of a total of 4
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: CHEMBL3137734
Protocol: N/A
Comment: Journal: Gastroenterol Clin Biol
Year: 2004
Volume: 28
Issue: 8-9
First Page: 720
Last Page: 759
DOI: 10.1016/s0399-8320(04)95062-2
Standard TypeStandard RelationStandard ValueActivity Comment
Hepatotoxicity (malignant tumour)=0references out of a total of 1
Hepatotoxicity (malignant tumour)=0references out of a total of 69
Hepatotoxicity (malignant tumour)=0references out of a total of 5
Hepatotoxicity (malignant tumour)=0references out of a total of 27
Hepatotoxicity (malignant tumour)=0references out of a total of 13
Hepatotoxicity (malignant tumour)=0references out of a total of 1
Hepatotoxicity (malignant tumour)=0references out of a total of 132
Hepatotoxicity (malignant tumour)=0references out of a total of 23
Hepatotoxicity (malignant tumour)=0references out of a total of 1
Hepatotoxicity (malignant tumour)=0references out of a total of 9
Hepatotoxicity (malignant tumour)=0references out of a total of 34
Hepatotoxicity (malignant tumour)=0references out of a total of 5
Hepatotoxicity (malignant tumour)=0references out of a total of 53
Hepatotoxicity (malignant tumour)=0references out of a total of 1
Hepatotoxicity (malignant tumour)=0references out of a total of 14
Hepatotoxicity (malignant tumour)=0references out of a total of 5
Hepatotoxicity (malignant tumour)=0references out of a total of 3
Hepatotoxicity (malignant tumour)=6references out of a total of 16
Hepatotoxicity (malignant tumour)=0references out of a total of 123
Hepatotoxicity (malignant tumour)=0references out of a total of 4
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: CHEMBL3137735
Protocol: N/A
Comment: Journal: Gastroenterol Clin Biol
Year: 2004
Volume: 28
Issue: 8-9
First Page: 720
Last Page: 759
DOI: 10.1016/s0399-8320(04)95062-2

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 TypeStandard RelationStandard ValueActivity Comment
Hepatotoxicity (benign tumour)=0references out of a total of 1
Hepatotoxicity (benign tumour)=0references out of a total of 69
Hepatotoxicity (benign tumour)=0references out of a total of 5
Hepatotoxicity (benign tumour)=0references out of a total of 27
Hepatotoxicity (benign tumour)=0references out of a total of 13
Hepatotoxicity (benign tumour)=0references out of a total of 1
Hepatotoxicity (benign tumour)=0references out of a total of 132
Hepatotoxicity (benign tumour)=0references out of a total of 23
Hepatotoxicity (benign tumour)=0references out of a total of 1
Hepatotoxicity (benign tumour)=0references out of a total of 9
Hepatotoxicity (benign tumour)=0references out of a total of 34
Hepatotoxicity (benign tumour)=0references out of a total of 5
Hepatotoxicity (benign tumour)=0references out of a total of 53
Hepatotoxicity (benign tumour)=0references out of a total of 1
Hepatotoxicity (benign tumour)=0references out of a total of 14
Hepatotoxicity (benign tumour)=0references out of a total of 5
Hepatotoxicity (benign tumour)=0references out of a total of 3
Hepatotoxicity (benign tumour)=0references out of a total of 16
Hepatotoxicity (benign tumour)=0references out of a total of 123
Hepatotoxicity (benign tumour)=0references out of a total of 4
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: CHEMBL3137736
Protocol: N/A
Comment: Journal: Gastroenterol Clin Biol
Year: 2004
Volume: 28
Issue: 8-9
First Page: 720
Last Page: 759
DOI: 10.1016/s0399-8320(04)95062-2

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 TypeActivity Comment
Hepatotoxicity (animal toxicity known)
Hepatotoxicity (animal toxicity known)
Hepatotoxicity (animal toxicity known)
Hepatotoxicity (animal toxicity known)yes
Hepatotoxicity (animal toxicity known)
Hepatotoxicity (animal toxicity known)
Hepatotoxicity (animal toxicity known)yes
Hepatotoxicity (animal toxicity known)
Hepatotoxicity (animal toxicity known)
Hepatotoxicity (animal toxicity known)
Hepatotoxicity (animal toxicity known)yes
Hepatotoxicity (animal toxicity known)
Hepatotoxicity (animal toxicity known)
Hepatotoxicity (animal toxicity known)
Hepatotoxicity (animal toxicity known)
Hepatotoxicity (animal toxicity known)
Hepatotoxicity (animal toxicity known)
Hepatotoxicity (animal toxicity known)
Hepatotoxicity (animal toxicity known)
Hepatotoxicity (animal toxicity known)yes
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: CHEMBL3137737
Protocol: N/A
Comment: Journal: Gastroenterol Clin Biol
Year: 2004
Volume: 28
Issue: 8-9
First Page: 720
Last Page: 759
DOI: 10.1016/s0399-8320(04)95062-2
Standard TypeActivity Comment
Hepatotoxicity (successful reintroduction)yes
Hepatotoxicity (successful reintroduction)yes
Hepatotoxicity (successful reintroduction)
Hepatotoxicity (successful reintroduction)
Hepatotoxicity (successful reintroduction)
Hepatotoxicity (successful reintroduction)yes
Hepatotoxicity (successful reintroduction)
Hepatotoxicity (successful reintroduction)
Hepatotoxicity (successful reintroduction)
Hepatotoxicity (successful reintroduction)
Hepatotoxicity (successful reintroduction)
Hepatotoxicity (successful reintroduction)
Hepatotoxicity (successful reintroduction)
Hepatotoxicity (successful reintroduction)
Hepatotoxicity (successful reintroduction)
Hepatotoxicity (successful reintroduction)
Hepatotoxicity (successful reintroduction)
Hepatotoxicity (successful reintroduction)
Hepatotoxicity (successful reintroduction)
Hepatotoxicity (successful reintroduction)
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: CHEMBL3137738
Protocol: N/A
Comment: Journal: Gastroenterol Clin Biol
Year: 2004
Volume: 28
Issue: 8-9
First Page: 720
Last Page: 759
DOI: 10.1016/s0399-8320(04)95062-2
Standard TypeActivity Comment
Hepatotoxicity (comment)
Hepatotoxicity (comment)I/PYRAZINAMIDE
Hepatotoxicity (comment)
Hepatotoxicity (comment)
Hepatotoxicity (comment)
Hepatotoxicity (comment)
Hepatotoxicity (comment)DUCTOPENIE AC_ANTI-N/-ADN
Hepatotoxicity (comment)AC_ANTI-N
Hepatotoxicity (comment)
Hepatotoxicity (comment)RC/NOMIFENSINE
Hepatotoxicity (comment)RC/DESPRAMINE CHOLESTASE_PROLONGEE
Hepatotoxicity (comment)
Hepatotoxicity (comment)CHOLESTASE_PROLONGEE
Hepatotoxicity (comment)
Hepatotoxicity (comment)AC_ANTI-N/-M #CBP
Hepatotoxicity (comment)ENCEPHALOPATHIE
Hepatotoxicity (comment)
Hepatotoxicity (comment)ANGIOSARCOME RC/TAMOXIFENE
Hepatotoxicity (comment)#MNI CHOLESTASE_PROLONGEE DUCTOPENIE #CBP
Hepatotoxicity (comment)MVO PELIOSE
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: CHEMBL3137739
Protocol: N/A
Comment: Journal: Gastroenterol Clin Biol
Year: 2004
Volume: 28
Issue: 8-9
First Page: 720
Last Page: 759
DOI: 10.1016/s0399-8320(04)95062-2

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 TypeActivity Comment
Hepatotoxicity (time to onset)
Hepatotoxicity (time to onset)4 days - 26 weeks
Hepatotoxicity (time to onset)2 weeks
Hepatotoxicity (time to onset)3 days - 10 years
Hepatotoxicity (time to onset)
Hepatotoxicity (time to onset)
Hepatotoxicity (time to onset)2 days - 6 months
Hepatotoxicity (time to onset)1 day - 10 days
Hepatotoxicity (time to onset)
Hepatotoxicity (time to onset)1 day - 1.8 years
Hepatotoxicity (time to onset)1 week - 1 year
Hepatotoxicity (time to onset)6 months - 5 years
Hepatotoxicity (time to onset)3 days - 2.3 years
Hepatotoxicity (time to onset)2 days
Hepatotoxicity (time to onset)2 days - 9 years
Hepatotoxicity (time to onset)5 days - 17 days
Hepatotoxicity (time to onset)1 week
Hepatotoxicity (time to onset)4 days - 15 years
Hepatotoxicity (time to onset)1 day - 11 years
Hepatotoxicity (time to onset)1 month - 3 months
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: CHEMBL3137740
Protocol: N/A
Comment: Journal: Gastroenterol Clin Biol
Year: 2004
Volume: 28
Issue: 8-9
First Page: 720
Last Page: 759
DOI: 10.1016/s0399-8320(04)95062-2

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 TypeActivity Comment
Hepatotoxicity (mechanism)
Hepatotoxicity (mechanism)
Hepatotoxicity (mechanism)Allergic
Hepatotoxicity (mechanism)Allergic, Reactive metabolite
Hepatotoxicity (mechanism)
Hepatotoxicity (mechanism)
Hepatotoxicity (mechanism)Allergic, Dose-dependant
Hepatotoxicity (mechanism)Allergic
Hepatotoxicity (mechanism)
Hepatotoxicity (mechanism)Dose-dependant, Reactive metabolite
Hepatotoxicity (mechanism)Allergic, Reactive metabolite
Hepatotoxicity (mechanism)
Hepatotoxicity (mechanism)Mitochondrial toxicity
Hepatotoxicity (mechanism)
Hepatotoxicity (mechanism)Allergic
Hepatotoxicity (mechanism)
Hepatotoxicity (mechanism)
Hepatotoxicity (mechanism)
Hepatotoxicity (mechanism)Allergic, Reactive metabolite
Hepatotoxicity (mechanism)
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:The Scripps Research Institute Molecular Screening Center 靶标:N/A
External ID: ULK1_INH_LUMI_1536_1X%INH PRUN
Protocol: Assay Overview:

The purpose of this biochemical assay is to identify compounds that act as inhibitors of Unc-51 Like Autophagy Activating Kinase 1 (ULK1). In this assay, ULK1 enzyme is incubated with test compounds and Atg13 and ATP to start the reaction. ULK1 specifically phosphorylates the Atg13 avidin tagged fusion protein. Phosphoryated Atg13 is then targeted by the anti-phospho Atg13 Ab. Rabbit IgG acceptor beads then recognize this complex. Streptavidin coated donor beads recognize the avidin tag from the Atg13 fusion protein. As designed, test compounds that act as ULK1 inhibitors in the presence of ATP will prevent the phosphorylation of Atg13, thereby leading to decreased luminescence signal from the beads. Compounds are tested in singlicate at a nominal test concentration of 5.96 micromolar.

Protocol Summary:
Prior to the start of the assay, 2 microliters of assay buffer (50mM Tris-Cl pH7.5, 20mM Magnesium chloride, 1mM DTT, 0.01% Triton X-100, 0.01% DMSO and 0.1mg/mL BSA) were dispensed into columns 1 thru column 3 of 1536 microtiter plates. Next, 2 microliters of assay buffer containing 2.5nM of ULK1 enzyme were dispensed into columns 4 thru column 48. Then, 30 nL of test compound in DMSO, Staurosporine (33uM final highest concentration) in DMSO, or DMSO alone (0.6% final concentration) were added to the appropriate wells and incubated for 15 minutes at 25 degrees Celsius. The assay was started by dispensing 1 microliter of assay buffer containing 100nM of Atg13 and 100uM of ATP to all wells. Plates were centrifuged and incubated for 120 minutes at 25 degrees Celsius. Next, 1 microliter of anti-pAtg13 (Final 0.5nM), EDTA (Final 20mM) and Anti-Rabbit IgG Acceptor beads (Final 16ug/mL) in 1X AlphaLISA detection buffer were dispensed into all wells. Plates were centrifuged and incubated for 60 minutes at 25 degrees Celsius. Then, 1 microliter of Streptavidin Donor Beads (Final 32ug/mL) was dispensed into all wells. Plates were centrifuged and incubated for 60 minutes at 25 degrees Celsius. Alphascreen signal was determined using an EnVision microplate reader ((PerkinElmer, Turku, Finland) at 680nm excitation and 570nm emission.




The percent inhibition for each compound was calculated as follows:

100 *( ( Test_Compound - Median_Low_Control ) / ( Median_High_Control - Median_Low_Control ) )

Where:

Test_Compound is defined as wells containing ULK1 enzyme +Atg13/ATP in the presence of test compound
High_Control is defined as wells containing assay buffer (no enzyme) + Atg13/ATP and DMSO.
Low_Control is defined as the median of the wells containing test compounds.


PubChem Activity Outcome and Score:

Interval Cutoff

The reported PubChem Activity Score has been normalized to 100% observed primary inhibition. Negative % inhibition values are reported as activity score zero.

The activity score range for active compounds is 100-1, for inactive 1-0.

List of Reagents:

ULK1 enzyme (Sigma, part SRP0252-supplied by Derek Duckett)
Biotinylated-Atg13 (supplied by Derek Duckett)
Staurosporine (Enzo, part ALX-380-014)
Tris (Amresco, part 0497)
Magnesium chloride (Sigma, part M0631)
ATP (Sigma, part A6419)
DTT (Fisher, part BP172)
Triton X-100 (Sigma, part T9284)
DMSO (Fisher, part D159)
BSA (Calbiochem, part 126609)
EDTA (Fisher, part BP2482)
Anti-Atg13 pS318 Antibody (Rockland, part 600-401-C49)
AlphaScreen Rabbit IgG Detection Kit (Perkin Elmer, part 6760607M)
1536-well plates (Corning, part 7254)

Comment: Due to the size of the Scripps Molecular Screening Center compound library, this assay may have been run as two or more separate campaigns, each campaign testing a unique set of compounds. All data reported were normalized on a per-plate basis. Possible artifacts of this assay can include, but are not limited to: dust or lint located in or on wells of the microtiter plate, compounds that modulate well fluorescence. All test compound concentrations reported above and below are nominal; the specific test concentration(s) for a particular compound may vary based upon the actual sample provided by the Scripps Molecular Screening Center.
Inhibition at 5.96 uM
22.35
22.25
22.13
22.12
21.66
21.27
21.26
20.92
20.86
20.64
20.53
20.47
20.41
20.16
20.16
20.1
20.02
19.97
19.73
19.69
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: CHEMBL3137722
Protocol: N/A
Comment: Journal: Gastroenterol Clin Biol
Year: 2004
Volume: 28
Issue: 8-9
First Page: 720
Last Page: 759
DOI: 10.1016/s0399-8320(04)95062-2

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 TypeStandard RelationStandard ValueActivity Comment
Hepatotoxicity (moderate)=0references out of a total of 1
Hepatotoxicity (moderate)=61references out of a total of 69
Hepatotoxicity (moderate)=2references out of a total of 5
Hepatotoxicity (moderate)=7references out of a total of 27
Hepatotoxicity (moderate)=13references out of a total of 13
Hepatotoxicity (moderate)=1references out of a total of 1
Hepatotoxicity (moderate)=114references out of a total of 132
Hepatotoxicity (moderate)=15references out of a total of 23
Hepatotoxicity (moderate)=1references out of a total of 1
Hepatotoxicity (moderate)=3references out of a total of 9
Hepatotoxicity (moderate)=4references out of a total of 34
Hepatotoxicity (moderate)=1references out of a total of 5
Hepatotoxicity (moderate)=18references out of a total of 53
Hepatotoxicity (moderate)=1references out of a total of 1
Hepatotoxicity (moderate)=1references out of a total of 14
Hepatotoxicity (moderate)=3references out of a total of 5
Hepatotoxicity (moderate)=3references out of a total of 3
Hepatotoxicity (moderate)=3references out of a total of 16
Hepatotoxicity (moderate)=29references out of a total of 123
Hepatotoxicity (moderate)=1references out of a total of 4
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: CHEMBL3137723
Protocol: N/A
Comment: Journal: Gastroenterol Clin Biol
Year: 2004
Volume: 28
Issue: 8-9
First Page: 720
Last Page: 759
DOI: 10.1016/s0399-8320(04)95062-2

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 TypeStandard RelationStandard ValueStandard Units
Hepatotoxicity (moderate)=0%
Hepatotoxicity (moderate)=42.2%
Hepatotoxicity (moderate)=0%
Hepatotoxicity (moderate)=25%
Hepatotoxicity (moderate)=8.3%
Hepatotoxicity (moderate)=5%
Hepatotoxicity (moderate)=46.4%
Hepatotoxicity (moderate)=7.7%
Hepatotoxicity (moderate)=0%
Hepatotoxicity (moderate)=26%
Hepatotoxicity (moderate)=22%
Hepatotoxicity (moderate)=0%
Hepatotoxicity (moderate)=5.8%
Hepatotoxicity (moderate)=6%
Hepatotoxicity (moderate)=7.1%
Hepatotoxicity (moderate)=32%
Hepatotoxicity (moderate)=12.8%
Hepatotoxicity (moderate)=19%
Hepatotoxicity (moderate)=90%
Hepatotoxicity (moderate)=37%
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:The Scripps Research Institute Molecular Screening Center 靶标:RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External ID: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
Protocol: Assay Overview:
TThe goal of this NIH sponsored research project was to identify GPR151 agonists via high-throughput screening (HTS) efforts. In brief, the McDonald Lab transferred the GPR151 AG 384wpf assay to Scripps for implementation and miniaturization to 1,536-well format followed by screening against the Scripps Drug Discovery Library (SDDL). A counterscreen assay, employing GPR119 cells, was also implemented by Scripps to identify compounds that non-specifically affect the PathHunter detection method. This project was aided by cheminformatic efforts to help identify compounds that demonstrated authentic agonist pharmacology and non-promiscuous activity profiles across other primary screens run against the SDDL. At completion of the project, several compounds demonstrated activity in the GPR151 AG PathHunter assay. All compounds selected for titration were also subjected to LC-MS analysis to confirm mass and sample purity

Protocol Summary:
Prior to the start of the assay, cells were resuspended in growth media at 2000cells/well in 1536 well plates. This was followed by an incubation of 18 hours at 37C+5%CO2. Then 1uL of Opti-Mem added to all wells except high controls to which 3X EA reagentwas added to each of those wells (0.2X final in lysis buffer). Compounds were pinned at 11.20uM final concentration in 1.0% DMSO followed by a 90 minute incubation at 37C+5%CO2. At this stage 3uL of Promega Beta-Glo detection Buffer was added to all wells followed by a 1 hour incubation at room temperature. Finally the assay end point read was taken using the ViewLux imaging reader from PerkinElemer Lifesciences with a 5 second exposure. Raw assay data was imported into Scripps# corporate database and ascetrained for Z' greater than 0.5 in order to be processed futher.

The percent activation for each compound was calculated as follows:

Percent Response of compound= 100 * ((Test Well-Median Data Wells)/(Median High Control # Median Data Wells))
Where:
Test_Well is defined as wells containing GPR151 cells in the presence of test compound
High_Control represents wells containing GPR151 cells stimulated with 0.2X EA reagent
Low_Control is defined as wells containing GPR151 cells and DMSO
PubChem Activity Outcome and Score:
Standard Cutoff
The reported PubChem Activity Score has been normalized to 100% observed primary inhibition. Negative % inhibition values are reported as activity score zero.
The activity score range for active compounds is 100-1, for inactive 1-0.
List of Reagents:
GPR151 cells (supplied by Patricia McDonald)
Pen Strep (Invtirogen 15140)
FBS (Invtirogen 16140)
Hygromycin (Invtirogen 10687010)
Lysis buffer (CisBio 62CL2FDF)
EA Reagent (DiscoverX 30-411)
G418 (Gemini Bio 400-113)
Opti-MEM (Invtirogen 31985)
Trypsin (Invtirogen 15400054)
Beta Glo (Promega E4780)
1536-well plates (Greiner Bio-One, part 789173)
Comment: Due to the size of the Scripps Molecular Screening Center compound library, this assay have been run as multiple separate campaigns, each campaign testing a unique set of compounds. All data reported were normalized on a per-plate basis. Possible artifacts of this assay can include, but are not limited to: dust or lint located in or on wells of the microtiter plate, compounds that modulate well fluorescence. All test compound concentrations reported above and below are nominal; the specific test concentration(s) for a particular compound may vary based upon the actual sample provided by the Scripps Molecular Screening Center.

A mathematical algorithm was used to determine what we call the standard hit cut-off to identify active compounds. Two values were calculated: (1) the average percent activation of all compounds tested in the screen, and (2) three times their standard deviation. The sum of these two values was used as a cutoff parameter, i.e. any compound that exhibited greater percent activation than the cutoff parameter was declared active. Using this "Standard Cutoff" (= 4.91%) the primary assay yielded 6,756 active compounds ("hits")."
Activation at 11.2 uM
25.9791
24.6001
23.5536
22.7312
22.7177
22.1764
22.1331
21.3196
20.9399
20.5357
19.9724
19.7958
19.6966
19.0437
18.6511
18.5926
18.5486
18.5244
18.4073
18.3393
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: CHEMBL3137724
Protocol: N/A
Comment: Journal: Gastroenterol Clin Biol
Year: 2004
Volume: 28
Issue: 8-9
First Page: 720
Last Page: 759
DOI: 10.1016/s0399-8320(04)95062-2
Standard TypeStandard RelationStandard ValueActivity Comment
Hepatotoxicity (acute)=1references out of a total of 1
Hepatotoxicity (acute)=11references out of a total of 69
Hepatotoxicity (acute)=3references out of a total of 5
Hepatotoxicity (acute)=17references out of a total of 27
Hepatotoxicity (acute)=0references out of a total of 13
Hepatotoxicity (acute)=1references out of a total of 1
Hepatotoxicity (acute)=21references out of a total of 132
Hepatotoxicity (acute)=9references out of a total of 23
Hepatotoxicity (acute)=1references out of a total of 1
Hepatotoxicity (acute)=5references out of a total of 9
Hepatotoxicity (acute)=27references out of a total of 34
Hepatotoxicity (acute)=4references out of a total of 5
Hepatotoxicity (acute)=36references out of a total of 53
Hepatotoxicity (acute)=1references out of a total of 1
Hepatotoxicity (acute)=12references out of a total of 14
Hepatotoxicity (acute)=1references out of a total of 5
Hepatotoxicity (acute)=0references out of a total of 3
Hepatotoxicity (acute)=5references out of a total of 16
Hepatotoxicity (acute)=84references out of a total of 123
Hepatotoxicity (acute)=0references out of a total of 4
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: CHEMBL3137725
Protocol: N/A
Comment: Journal: Gastroenterol Clin Biol
Year: 2004
Volume: 28
Issue: 8-9
First Page: 720
Last Page: 759
DOI: 10.1016/s0399-8320(04)95062-2

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 TypeStandard RelationStandard ValueStandard Units
Hepatotoxicity (acute)=0.2%
Hepatotoxicity (acute)=18.2%
Hepatotoxicity (acute)=0%
Hepatotoxicity (acute)=1%
Hepatotoxicity (acute)=0%
Hepatotoxicity (acute)=1.7%
Hepatotoxicity (acute)=0.2%
Hepatotoxicity (acute)=0%
Hepatotoxicity (acute)=0%
Hepatotoxicity (acute)=0%
Hepatotoxicity (acute)=2%
Hepatotoxicity (acute)=0%
Hepatotoxicity (acute)=5%
Hepatotoxicity (acute)=0%
Hepatotoxicity (acute)=0%
Hepatotoxicity (acute)=0%
Hepatotoxicity (acute)=0%
Hepatotoxicity (acute)=0%
Hepatotoxicity (acute)=2%
Hepatotoxicity (acute)=0%
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: CHEMBL3137726
Protocol: N/A
Comment: Journal: Gastroenterol Clin Biol
Year: 2004
Volume: 28
Issue: 8-9
First Page: 720
Last Page: 759
DOI: 10.1016/s0399-8320(04)95062-2
Standard TypeStandard RelationStandard ValueActivity Comment
Hepatotoxicity (cytolytic)=0references out of a total of 1
Hepatotoxicity (cytolytic)=6references out of a total of 69
Hepatotoxicity (cytolytic)=1references out of a total of 5
Hepatotoxicity (cytolytic)=8references out of a total of 27
Hepatotoxicity (cytolytic)=0references out of a total of 13
Hepatotoxicity (cytolytic)=1references out of a total of 1
Hepatotoxicity (cytolytic)=7references out of a total of 132
Hepatotoxicity (cytolytic)=3references out of a total of 23
Hepatotoxicity (cytolytic)=0references out of a total of 1
Hepatotoxicity (cytolytic)=3references out of a total of 9
Hepatotoxicity (cytolytic)=9references out of a total of 34
Hepatotoxicity (cytolytic)=3references out of a total of 5
Hepatotoxicity (cytolytic)=27references out of a total of 53
Hepatotoxicity (cytolytic)=1references out of a total of 1
Hepatotoxicity (cytolytic)=3references out of a total of 14
Hepatotoxicity (cytolytic)=1references out of a total of 5
Hepatotoxicity (cytolytic)=0references out of a total of 3
Hepatotoxicity (cytolytic)=0references out of a total of 16
Hepatotoxicity (cytolytic)=53references out of a total of 123
Hepatotoxicity (cytolytic)=0references out of a total of 4
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: CHEMBL845341
Protocol: N/A
Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2003
Volume: 13
Issue: 16
First Page: 2749
Last Page: 2754
DOI: 10.1016/s0960-894x(03)00535-3

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 TypeActivity Comment
Anticonvulsant activityVirtual activity
Anticonvulsant activityVirtual activity
Anticonvulsant activityVirtual activity
Anticonvulsant activityVirtual activity
Anticonvulsant activityVirtual activity
Anticonvulsant activityVirtual activity
Anticonvulsant activityVirtual activity
Anticonvulsant activityVirtual activity
Anticonvulsant activityVirtual activity
Anticonvulsant activityVirtual activity
Anticonvulsant activityVirtual activity
Anticonvulsant activityVirtual activity
Anticonvulsant activityVirtual activity
Anticonvulsant activityVirtual activity
Anticonvulsant activityVirtual activity
Anticonvulsant activityVirtual activity
Anticonvulsant activityVirtual activity
Anticonvulsant activityVirtual activity
Anticonvulsant activityVirtual activity
Anticonvulsant activityVirtual activity
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:ChEMBL 靶标:Hepatotoxicity
External ID: CHEMBL1697778
Protocol: N/A
Comment: Journal: Chem Res Toxicol
Year: 2010
Volume: 23
Issue: 1
First Page: 171
Last Page: 183
DOI: 10.1021/tx900326k

Target ChEMBL ID: CHEMBL1697861
ChEMBL Target Name: Hepatotoxicity
ChEMBL Target Type: PHENOTYPE - Target is a biological phenotype or process
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeActivity Comment
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicityno drug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicityno drug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:ChEMBL 靶标:Hepatotoxicity
External ID: CHEMBL1697779
Protocol: N/A
Comment: Journal: Chem Res Toxicol
Year: 2010
Volume: 23
Issue: 1
First Page: 171
Last Page: 183
DOI: 10.1021/tx900326k

Target ChEMBL ID: CHEMBL1697861
ChEMBL Target Name: Hepatotoxicity
ChEMBL Target Type: PHENOTYPE - Target is a biological phenotype or process
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeActivity Comment
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicityno drug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicityno drug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicityno drug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:ChEMBL 靶标:Hepatotoxicity
External ID: CHEMBL1697780
Protocol: N/A
Comment: Journal: Chem Res Toxicol
Year: 2010
Volume: 23
Issue: 1
First Page: 171
Last Page: 183
DOI: 10.1021/tx900326k

Target ChEMBL ID: CHEMBL1697861
ChEMBL Target Name: Hepatotoxicity
ChEMBL Target Type: PHENOTYPE - Target is a biological phenotype or process
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeActivity Comment
Hepatotoxicityno drug-induced liver injury reported
Hepatotoxicityno drug-induced liver injury reported
Hepatotoxicityno drug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicityno drug-induced liver injury reported
Hepatotoxicityno drug-induced liver injury reported
Hepatotoxicityno drug-induced liver injury reported
Hepatotoxicityno drug-induced liver injury reported
Hepatotoxicityno drug-induced liver injury reported
Hepatotoxicityno drug-induced liver injury reported
Hepatotoxicityno drug-induced liver injury reported
Hepatotoxicityno drug-induced liver injury reported
Hepatotoxicityno drug-induced liver injury reported
Hepatotoxicityno drug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicityno drug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
Hepatotoxicityno drug-induced liver injury reported
Hepatotoxicityno drug-induced liver injury reported
Hepatotoxicitydrug-induced liver injury reported
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:The Scripps Research Institute Molecular Screening Center 靶标:N/A
External ID: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
Protocol: Assay Overview:
FBW7 assay principle. In this assay, either mutant or wild type (w.t.) FBW7 interact with phosphorylated cyclin E peptide (cycE~P), which will bring donor and acceptor beads into close proximity. Laser excitation of the donor beads converts oxygen to an excited singlet state. Reaction of the singlet oxygen with the acceptor beads further activates a chemiluminescence/fluorescence reaction within the same bead resulting in emitted light at 520-620 nm. Small molecule activators that enhance the mutant FBW7 interaction with the cycE~P decrease the distance of the acceptor beads, thus leading to increased signal being emitted signal.
Protocol Summary:
There are six steps in this 1536 well assay format which are listed in order. First, 2.5uL/well of a 2X working solution containing RLFbw7 [12.5nM final], Cyclin E peptide [12.5nM final], and Ni beads [5ug/mL final], in assay buffer (25mM Tris-HCl pH 7.4 + 100mM NaCl, 0.1% Tween-20, 5mM ?-Mercaptoethanol and 0.05% BSA) was dispensed into columns 1-44. Then 2.5uL/well of a 2X working solution containing WTFbw7 [12.5nM final], Cyclin E peptide [12.5nM final], and Ni beads [5ug/mL final], in assay buffer was dispensed into columns 45-48. Using the pintool transfer device 134nL of compound or control was added to each well. This achieved a nominal screening concentration of 26.1uM and 2.6% DMSO concentration. This was followed by the addition of SA beads to all wells at 5ug/mL final concentration in assay buffer. The assay was then incubated for 20 hours in a temperature controlled 25C environment followed by Alphascreen detection using the PerkinElmer EnVision.

The percent activation for each compound was calculated as follows:

100 *( ( Test_Compound - Median_Low_Control ) / ( Median_High_Control - Median_Low_Control ) )
Where:
Test_Compound is defined as wells containing RLFbw7 (mutant), cyclin E peptide and Nickel acceptor beads in the presence of test compound
High_Control is defined as wells containing WTFbw7 (wild type), cyclin E peptide and Nickel acceptor beads
Low_Control is defined as the median of the wells containing DMSO, RLFbw7 (mutant), cyclin E peptide and Nickel acceptor beads
PubChem Activity Outcome and Score:

A mathematical algorithm was used to determine active compounds. Two values were calculated: (1) the average percent activation of all compounds tested for the screen, and (2) three times their standard deviation. The sum of these two values was used as a cutoff parameter, i.e. any compound that exhibited greater percent activation than the cutoff parameter (1.85% in the case here) was declared active.
The reported PubChem Activity Score has been normalized to 100% observed primary inhibition. Negative % inhibition values are reported as activity score zero.
The activity score range for active compounds is 100-1, for inactive 1-0.
List of Reagents:
Ni Beads- PerkinEmer Lifesciences Cat#6760619R
RLFbw7-Assay Provider
WTFbw7-Assay Provider
Cyclin E peptide-Assay Provider
5M NaCl- Sigma Cat# S6546-1L
Tween20- Fisher Cat# BP337
Tris 1M pH7.4 Research Organics Cat# 9686T
BSA-Sigma Cat#A7030
?-Mercaptoethanol-SigmaM6250
1536-well plates (Corning, part 7254)
Comment: Due to the size of the Scripps Molecular Screening Center compound library, this assay may have been run as two or more separate campaigns, each campaign testing a unique set of compounds. All data reported were normalized on a per-plate basis. Possible artifacts of this assay can include, but are not limited to: dust or lint located in or on wells of the microtiter plate, compounds that modulate well fluorescence. All test compound concentrations reported above and below are nominal; the specific test concentration(s) for a particular compound may vary based upon the actual sample provided by the Scripps Molecular Screening Center.
Inhibition at 26.1 uM
1.22
1.22
1.22
1.22
1.21
1.21
1.21
1.21
1.21
1.21
1.21
1.21
1.21
1.21
1.21
1.21
1.21
1.21
1.21
1.21
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:The Scripps Research Institute Molecular Screening Center 靶标:
External ID: MITF_INH_Alpha_1536_1X%INH PRUN
Protocol: Assay Overview:

The purpose of this biochemical assay is to identify MITF dimerization inhibitors that disrupt or prevent its homodimerization. This assay is a bead-based proximity assay, which employs acceptor beads and donor beads to generate a chemiluminescence signal. In this assay, Biotin-labelled MITF and His- tagged MITF homodimerization will bring donor and acceptor beads into close proximity. Laser excitation of the donor beads converts oxygen to an excited singlet state. Reaction of the singlet oxygen with the acceptor beads further activates a chemiluminescence reaction within the same bead resulting in emitted light at 520-620 nm. As designed, small molecule inhibitors that interfere with this interaction will increase the distance of the acceptor beads, thus leading to decreased signal. Compounds were tested in singlicate at a nominal test concentration of 2.6 micromolar.

Protocol Summary:
Prior to the start of the assay, 1.25#L of assay buffer (50mM HEPEs pH7.5, 250mM Sodium chloride, 0.1% Tween, 0.1% BSA) containing 10nM His-MITF_r259stop were dispensed into columns 1 thru column 2, and 1.25#L of assay buffer containing 10nM of His MBP MITF were dispensed into columns 3 thru column 48 of 1536 microtiter plates. Next, 10nL of test compounds in DMSO, 7,8-Dihydroxycoumarin (200#M final highest concentration) in DMSO, or DMSO alone (0.15% final concentration) were added to the appropriate wells before dispensing 1.25#L of 10#g/mL Acceptor beads into column 1 to 46 and 1.25#L of assay buffer into column 47 and 48. Plates were incubated in dark for 2hrs at room temperature. Then, dispenses of 1.25#L of 10nM Biotin-MITF into all columns, and 10#g/mL Donor beads into column 1 to 46 and 1.25#L of assay buffer into column 47 to 48 followed by 3hrs incubation in dark at RT, was done. Alphascreen signal was determined using an EnVision microplate reader (PerkinElmer, Waltham, MA) at 680nm excitation and 570nm emission.

The percent inhibition for each compound was calculated as follows:

100 *( ( Median_Low Control-Test Compound) / ( Median_Low Control - Median_High Control ) )

Where:

Test_Compound is defined as wells containing His-MITF + Biotin-MITF in the presence of test compound
High_Control is defined as wells containing His-MITF_r259stop + Biotin-MITF and DMSO.
Low_Control is defined as wells containing His-MITF + Biotin-MITF and DMSO

PubChem Activity Outcome and Score:

Standard Cutoff

The reported PubChem Activity Score has been normalized to 100% observed primary inhibition. Negative % inhibition values are reported as activity score zero.

The activity score range for active compounds is 100-1, for inactive 1-0.

List of Reagents:

His-tagged MITF protein (supplied by Min Guo)
His-tagged MITF_r259stop protein (supplied by Min Guo)
Biotinylated-MITF protein (supplied by Min Guo)
7,8-Dihydroxycoumarin (Sigma, part D5564)
HEPEs (Sigma, part H3375, H3784)
Sodium chloride (Fisher, part BP358-212)
Tween-20 (Fisher, part 50146671)
DMSO (Fisher, part D159)
BSA (Fisher, part BP1600-100)
AlphaScreen Beads Kit (Perkin Elmer, part 6760619L)
1536-well plates (Greiner Bio-One, part 789175)
Comment: Due to the size of the Scripps Molecular Screening Center compound library, this assay have been run as multiple separate campaigns, each campaign testing a unique set of compounds. All data reported were normalized on a per-plate basis. Possible artifacts of this assay can include, but are not limited to: dust or lint located in or on wells of the microtiter plate, compounds that modulate well fluorescence. All test compound concentrations reported above and below are nominal; the specific test concentration(s) for a particular compound may vary based upon the actual sample provided by the Scripps Molecular Screening Center.
Inhibition at 2.6 uM
127.19
125.38
123.56
122.83
122.83
121.76
121.66
121.6
121.5
121.39
121.22
119.02
116.83
116.33
115.89
115.77
115.42
114.27
114.13
114.01