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

来源：ChEMBL 靶标：Acetylcholinesterase

External ID: CHEMBL900099

Protocol: N/A

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

Journal: J. Med. Chem.
Year: 2007
Volume: 50
Issue: 23
First Page: 5727
Last Page: 5734
DOI: 10.1021/jm0706867

Target ChEMBL ID: CHEMBL220
ChEMBL Target Name: Acetylcholinesterase
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
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
0.903	Ki	=	903	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM

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

来源：ChEMBL 靶标：Cholinesterase

External ID: CHEMBL900100

Protocol: N/A

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

Journal: J. Med. Chem.
Year: 2007
Volume: 50
Issue: 23
First Page: 5727
Last Page: 5734
DOI: 10.1021/jm0706867

Target ChEMBL ID: CHEMBL1914
ChEMBL Target Name: Butyrylcholinesterase
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
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
2.63	Ki	=	2630	nM
3.1	Ki	=	3100	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	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: CHEMBL900097

Protocol: N/A

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

Journal: J. Med. Chem.
Year: 2007
Volume: 50
Issue: 23
First Page: 5727
Last Page: 5734
DOI: 10.1021/jm0706867

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
100	Ki	>	100000	nM
1.42	Ki	=	1420	nM
0.47	Ki	=	470	nM
4.04	Ki	=	4040	nM
0.005	Ki	=	5	nM
5.47	Ki	=	5470	nM
0.62	Ki	=	620	nM
4.13	Ki	=	4130	nM
100	Ki	>	100000	nM
0.0077	Ki	=	7.7	nM
100	Ki	>	100000	nM
0.85	Ki	=	850	nM
6.15	Ki	=	6150	nM
100	Ki	>	100000	nM

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

来源：ChEMBL 靶标：Liver carboxylesterase 1

External ID: CHEMBL900098

Protocol: N/A

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

Journal: J. Med. Chem.
Year: 2007
Volume: 50
Issue: 23
First Page: 5727
Last Page: 5734
DOI: 10.1021/jm0706867

Target ChEMBL ID: CHEMBL2265
ChEMBL Target Name: Acyl coenzyme A:cholesterol acyltransferase
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
100	Ki	>	100000	nM
100	Ki	>	100000	nM
9.8	Ki	=	9800	nM
100	Ki	>	100000	nM
0.072	Ki	=	72	nM
5.24	Ki	=	5240	nM
0.57	Ki	=	570	nM
1.54	Ki	=	1540	nM
5.38	Ki	=	5380	nM
0.0015	Ki	=	1.5	nM
5.4	Ki	=	5400	nM
0.15	Ki	=	150	nM
2.98	Ki	=	2980	nM
100	Ki	>	100000	nM

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

来源：24983 靶标：Huntingtin

External ID: KUHTS-Muma KU-CaM-Htt INH-01

Protocol: 1; Dispense 45 nl compounds (10 mM stocks) using ECHO 555 to Alpha 384 well assay plates. Dispense 45 nl DMSO to control columns 1 and 2 of 384 well plates.
2; Incubate 5 ul of 6XHis-mHTT (Final, 13 nM) with the compounds for 40 mins at room temperature in buffer containing 10 mM Tris.HCl pH 7.4, 1 mM calcium chloride, 150 mM sodium chloride, 0.1% BSA and 20% glycerol.
3; Dispense 5 ul of 6XGST-CaM (Final 13 nM) in buffer A.
4; Incubation; 1 hour (dark at 25C)
5; Dispense 20 ul of Nickel chelate acceptor beads (Final, 20 ugs/ml) and Glutathione donor beads (Final, 30 ugs/ml). Incubate for 2h, room temperature.
6; Detector: Perkin Elmer Enspire, Alphascreen Module (Excitation 680nm/Emission 570nm).

NOTES (numbers refer to Sequence numbers above)
1. Alphascreen bead incubations were performed in green light, TiterTek setting 400rpm.
2. All incubation and addition steps were followed by mixing and centrifugation at 400g,1 min.
3. The percent inhibition for each compound was calculated as follows:
100- [100 *((Test Compound-Median Low Control) / (Median High Control - Median Low Control))]

Where:
Test_Compound is defined as wells containing His mHTT + GST CaM in the presence of test compound

High_Control is defined as wells containing His mHTT + GST CaM and DMSO.

Low_Control is defined as wells containing His mHTT and DMSO.

Comment: All percent inhibition data reported were normalized to high and low controls on a per-plate basis. The results of primary screening data include compounds contributing to assay signal interference, interference with tags binding to Alpha beads, chelators, process related artifacts etc.. The actives were defined as compounds that inhibited Alphascreen reads to greater than 50%.

Activity at 15 uM	Phenotype
-3.1
4.2
-4.8
-0.6
-3.9
-6
75.3	Inhibitor
-10.3
-7
-2
-3.8
17.6
-4.8
-4.1
-7.8
-7.5
15.2
7.8
-2.5
-13.4

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_2642_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	Standard Relation	PubChem Standard Value	Ki Qualifier	Ki	Target Accession(s)	Ligand	Target
Ki	>	100	>	100000	P06276	BDBM22743	Cholinesterase
Ki	>	100	>	100000	P22303	BDBM22759	Acetylcholinesterase
Ki	>	100	>	100000	P22303	BDBM22846	Acetylcholinesterase
Ki	>	100	>	100000	P06276	BDBM22846	Cholinesterase
Ki	>	100	>	100000	P22303	BDBM22847	Acetylcholinesterase
Ki	>	100	>	100000	P06276	BDBM22847	Cholinesterase
Ki	>	100	>	100000	P22303	BDBM22848	Acetylcholinesterase
Ki	>	100	>	100000	P06276	BDBM22848	Cholinesterase
Ki	>	100	>	100000	P22303	BDBM22849	Acetylcholinesterase
Ki	>	100	>	100000	P06276	BDBM22849	Cholinesterase
Ki	>	100	>	100000	P22303	BDBM22850	Acetylcholinesterase
Ki	>	100	>	100000	P22303	BDBM22853	Acetylcholinesterase
Ki		0.903		903	P22303	BDBM22854	Acetylcholinesterase
Ki	>	100	>	100000	P22303	BDBM22855	Acetylcholinesterase
Ki	>	100	>	100000	P22303	BDBM22856	Acetylcholinesterase
Ki	>	100	>	100000	P22303	BDBM22857	Acetylcholinesterase
Ki		0.85		850	P22303	BDBM22858	Acetylcholinesterase
Ki	>	100	>	100000	P22303	BDBM22859	Acetylcholinesterase
Ki	>	100	>	100000	P22303	BDBM22860	Acetylcholinesterase

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_2642_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	Standard Relation	PubChem Standard Value	Ki Qualifier	Ki	Target Accession(s)	Ligand	Target
Ki		3.41		3410	P23141	BDBM22743	Liver carboxylesterase 1
Ki		0.0056		5.6	P00748	BDBM22759	Coagulation factor XII
Ki		0.008		8	P23141	BDBM22759	Liver carboxylesterase 1
Ki	>	100	>	100000	P06276	BDBM22759	Cholinesterase
Ki	>	100	>	100000	P00748	BDBM22846	Coagulation factor XII
Ki	>	100	>	100000	P23141	BDBM22846	Liver carboxylesterase 1
Ki		1.42		1420	P00748	BDBM22847	Coagulation factor XII
Ki	>	100	>	100000	P23141	BDBM22847	Liver carboxylesterase 1
Ki		0.47		470	P00748	BDBM22848	Coagulation factor XII
Ki		9.8		9800	P23141	BDBM22848	Liver carboxylesterase 1
Ki		4.04		4040	P00748	BDBM22849	Coagulation factor XII
Ki	>	100	>	100000	P23141	BDBM22849	Liver carboxylesterase 1
Ki		0.005		5	P00748	BDBM22850	Coagulation factor XII
Ki		2.4		2400	P00748	BDBM22851	Coagulation factor XII
Ki		0.93		930	P23141	BDBM22851	Liver carboxylesterase 1
Ki		2.29		2290	P06276	BDBM22851	Cholinesterase
Ki		5.47		5470	P00748	BDBM22852	Coagulation factor XII
Ki		5.24		5240	P23141	BDBM22852	Liver carboxylesterase 1
Ki		2.63		2630	P06276	BDBM22852	Cholinesterase
Ki		0.17		170	P00748	BDBM22853	Coagulation factor XII

4290-72-6 靶点实验数据