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

来源：ChEMBL 靶标：Muscarinic acetylcholine receptor M5

External ID: CHEMBL2067892

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2012
Volume: 55
Issue: 4
First Page: 1445
Last Page: 1464
DOI: 10.1021/jm201139r

Target ChEMBL ID: CHEMBL2035
ChEMBL Target Name: Muscarinic acetylcholine receptor M5
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
Emax	=	74	%
Emax	=	91	%
Emax	=	75	%

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

来源：ChEMBL 靶标：Muscarinic acetylcholine receptor M3

External ID: CHEMBL2067890

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2012
Volume: 55
Issue: 4
First Page: 1445
Last Page: 1464
DOI: 10.1021/jm201139r

Target ChEMBL ID: CHEMBL245
ChEMBL Target Name: Muscarinic acetylcholine receptor M3
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
Emax	=	66	%

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

来源：NIAID 靶标：N/A

External ID: HIV Enzyme Data

Protocol: N/A

Comment: N/A

Species	Strain	IsPseudotypeVirus	AssayMeth	Target	IC50Mod	IC50	IC50Unit	Ki	KiUnit	Reference	Citation
			3' PROCESSING	Integrase	>	100	uM			18662877	EFFICIENT SYNTHESIS AND UTILIZATION OF PHENYL-SUBSTITUTED HETEROAROMATIC CARBOXYLIC ACIDS AS ARYL DIKETO ACID ISOSTERES IN THE DESIGN OF NOVEL HIV-1 INTEGRASE INHIBITORS. Bioorganic & Medical Chemistry Letters 2008, 18(16), 4521-4.
			3' PROCESSING	Integrase	>	100	uM			18662877	EFFICIENT SYNTHESIS AND UTILIZATION OF PHENYL-SUBSTITUTED HETEROAROMATIC CARBOXYLIC ACIDS AS ARYL DIKETO ACID ISOSTERES IN THE DESIGN OF NOVEL HIV-1 INTEGRASE INHIBITORS. Bioorganic & Medical Chemistry Letters 2008, 18(16), 4521-4.
			3' PROCESSING	Integrase	>	100	uM			18662877	EFFICIENT SYNTHESIS AND UTILIZATION OF PHENYL-SUBSTITUTED HETEROAROMATIC CARBOXYLIC ACIDS AS ARYL DIKETO ACID ISOSTERES IN THE DESIGN OF NOVEL HIV-1 INTEGRASE INHIBITORS. Bioorganic & Medical Chemistry Letters 2008, 18(16), 4521-4.
			STRAND TRANSFER	Integrase	>	100	uM			18662877	EFFICIENT SYNTHESIS AND UTILIZATION OF PHENYL-SUBSTITUTED HETEROAROMATIC CARBOXYLIC ACIDS AS ARYL DIKETO ACID ISOSTERES IN THE DESIGN OF NOVEL HIV-1 INTEGRASE INHIBITORS. Bioorganic & Medical Chemistry Letters 2008, 18(16), 4521-4.
	HIV-1		dTTP incorporation assay by liquid scintillation	Reverse transcriptase				6.2	uM	19442130	CHARACTERIZATION OF HIV-1 ENZYME REVERSE TRANSCRIPTASE INHIBITION BY THE COMPOUND 6-CHLORO-1,4-DIHYDRO-4-OXO-1-(BETA-D-RIBOFURANOSYL) QUINOLINE-3-CARBOXYLIC ACID THROUGH KINETIC AND IN SILICO STUDIES. Current HIV Research 2009, 7(3), 327-335.
	HIV-1		dTTP incorporation assay by liquid scintillation	Reverse transcriptase				5.3	uM	19442130	CHARACTERIZATION OF HIV-1 ENZYME REVERSE TRANSCRIPTASE INHIBITION BY THE COMPOUND 6-CHLORO-1,4-DIHYDRO-4-OXO-1-(BETA-D-RIBOFURANOSYL) QUINOLINE-3-CARBOXYLIC ACID THROUGH KINETIC AND IN SILICO STUDIES. Current HIV Research 2009, 7(3), 327-335.
	HIV-1		dTTP incorporation assay by liquid scintillation	Reverse transcriptase				5	uM	19442130	CHARACTERIZATION OF HIV-1 ENZYME REVERSE TRANSCRIPTASE INHIBITION BY THE COMPOUND 6-CHLORO-1,4-DIHYDRO-4-OXO-1-(BETA-D-RIBOFURANOSYL) QUINOLINE-3-CARBOXYLIC ACID THROUGH KINETIC AND IN SILICO STUDIES. Current HIV Research 2009, 7(3), 327-335.
HIV-1		N	standard reverse transcriptase assay	Reverse transcriptase		50	ug/mL				SYNTHESIS AND HIV-1 REVERSE TRANSCRIPTASE INHIBITION ACTIVITY OF 1,4-NAPHTHOQUINONE DERIVATIVES. Chemistry of Natural Compounds 2012, 47(6), 883-887.
			STRAND TRANSFER	Integrase	>	100	uM			18805696	DISCOVERY OF 3-ACETYL-4-HYDROXY-2-PYRANONE DERIVATIVES AND THEIR DIFLUORIDOBORATE COMPLEXES AS A NOVEL CLASS OF HIV-1 INTEGRASE INHIBITORS. Bioorganic & Medical Chemistry 2008, 16(19), 8988-98.
			STRAND TRANSFER	Integrase	>	100	uM			18805696	DISCOVERY OF 3-ACETYL-4-HYDROXY-2-PYRANONE DERIVATIVES AND THEIR DIFLUORIDOBORATE COMPLEXES AS A NOVEL CLASS OF HIV-1 INTEGRASE INHIBITORS. Bioorganic & Medical Chemistry 2008, 16(19), 8988-98.
			3'-PROCESSING	Integrase	>	100	uM			18805696	DISCOVERY OF 3-ACETYL-4-HYDROXY-2-PYRANONE DERIVATIVES AND THEIR DIFLUORIDOBORATE COMPLEXES AS A NOVEL CLASS OF HIV-1 INTEGRASE INHIBITORS. Bioorganic & Medical Chemistry 2008, 16(19), 8988-98.
	HIV-1		STRAND TRANSFER	Integrase		0.015	uM			19523819	N-(4-FLUOROBENZYL)-3-HYDROXY-9;9-DIMETHYL-4-OXO-6;7;8;9-TETRAHYDRO-4H-PYRAZINO[1;2-A]PYRIMIDINE-2-CARBOXAMIDES A NOVEL CLASS OF POTENT HIV-1 INTEGRASE INHIBITORS. Bioorganic & Medical Chemistry Letters 2009, 19, 4245-9.
	HIV-1		HPLC	Protease		5.8	uM			18543149	INHIBITION OF HIV-1 PROTEASE AND RNASE H OF HIV-1 REVERSE TRANSCRIPTASE ACTIVITIES BY LONG CHAIN PHENOLS FROM THE SARCOTESTAS OF GINKGO BILOBA. Planta Medica 2008, 74(5), 532-534.
	HIV-1		RNASE H OF HIV-1 REVERSE TRANSCRIPTASE ASSAY	Reverse transcriptase		170.3	uM			18543149	INHIBITION OF HIV-1 PROTEASE AND RNASE H OF HIV-1 REVERSE TRANSCRIPTASE ACTIVITIES BY LONG CHAIN PHENOLS FROM THE SARCOTESTAS OF GINKGO BILOBA. Planta Medica 2008, 74(5), 532-534.
	HIV-1		HPLC	Protease		10.2	uM			18543149	INHIBITION OF HIV-1 PROTEASE AND RNASE H OF HIV-1 REVERSE TRANSCRIPTASE ACTIVITIES BY LONG CHAIN PHENOLS FROM THE SARCOTESTAS OF GINKGO BILOBA. Planta Medica 2008, 74(5), 532-534.
	HIV-1		RNASE H OF HIV-1 REVERSE TRANSCRIPTASE ASSAY	Reverse transcriptase		33.7	uM			18543149	INHIBITION OF HIV-1 PROTEASE AND RNASE H OF HIV-1 REVERSE TRANSCRIPTASE ACTIVITIES BY LONG CHAIN PHENOLS FROM THE SARCOTESTAS OF GINKGO BILOBA. Planta Medica 2008, 74(5), 532-534.
	HIV-1		HPLC	Protease		24.9	uM			18543149	INHIBITION OF HIV-1 PROTEASE AND RNASE H OF HIV-1 REVERSE TRANSCRIPTASE ACTIVITIES BY LONG CHAIN PHENOLS FROM THE SARCOTESTAS OF GINKGO BILOBA. Planta Medica 2008, 74(5), 532-534.
	HIV-1		3'-processing	Integrase	>	100	uM				COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS. . Patent 2009, , .
	HIV-1		Strand Transfer	Integrase	>	100	uM				COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS. . Patent 2009, , .
	HIV-1		3'-processing	Integrase	>	100	uM				COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS. . Patent 2009, , .

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

来源：ChEMBL 靶标：Muscarinic acetylcholine receptor M1

External ID: CHEMBL2067887

Protocol: N/A

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

Journal: J. Med. Chem.
Year: 2012
Volume: 55
Issue: 4
First Page: 1445
Last Page: 1464
DOI: 10.1021/jm201139r

Target ChEMBL ID: CHEMBL216
ChEMBL Target Name: Muscarinic acetylcholine receptor M1
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
0.084	EC50	=	84	nM
0.27	EC50	=	270	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_9877_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	198	198000	P0DTD1	BDBM50258439	Replicase polyprotein 1ab
IC50	2.4	2400	P0DTD1	BDBM50438912	Replicase polyprotein 1ab
IC50	81.7	81700	P0DTD1	BDBM132149	Replicase polyprotein 1ab
IC50	1.78	1780	P0DTD1	BDBM38667	Replicase polyprotein 1ab
IC50	8.46	8460	P0DTD1	BDBM47848	Replicase polyprotein 1ab
IC50	3.8	3800	P0DTD1	BDBM47871	Replicase polyprotein 1ab
IC50	1.4	1400	P0DTD1	BDBM71447	Replicase polyprotein 1ab
IC50	0.05	50	P0DTD1	BDBM429304	Replicase polyprotein 1ab
IC50	1.63	1630	P0DTD1	BDBM429461	Replicase polyprotein 1ab
IC50	5.32	5320	P0DTD1	BDBM429465	Replicase polyprotein 1ab
IC50	7.14	7140	P0DTD1	BDBM495558	Replicase polyprotein 1ab
IC50	99.5	99500	P0DTD1	BDBM495965	Replicase polyprotein 1ab
IC50	99.5	99500	P0DTD1	BDBM495968	Replicase polyprotein 1ab
IC50	99.5	99500	P0DTD1	BDBM495975	Replicase polyprotein 1ab
IC50	99.5	99500	P0DTD1	BDBM496152	Replicase polyprotein 1ab
IC50	99.5	99500	P0DTD1	BDBM496153	Replicase polyprotein 1ab
IC50	0.208	208	P0DTD1	BDBM496154	Replicase polyprotein 1ab
IC50	0.288	288	P0DTD1	BDBM496155	Replicase polyprotein 1ab
IC50	5.83	5830	P0DTD1	BDBM496257	Replicase polyprotein 1ab
IC50	0.282	282	P0DTD1	BDBM496265	Replicase polyprotein 1ab

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

来源：ChEMBL 靶标：Muscarinic acetylcholine receptor M1

External ID: CHEMBL2067888

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2012
Volume: 55
Issue: 4
First Page: 1445
Last Page: 1464
DOI: 10.1021/jm201139r

Target ChEMBL ID: CHEMBL216
ChEMBL Target Name: Muscarinic acetylcholine receptor M1
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
Emax	=	82	%
Emax	=	65	%

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

来源：ChEMBL 靶标：Muscarinic acetylcholine receptor M1

External ID: CHEMBL939027

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2009
Volume: 52
Issue: 11
First Page: 3445
Last Page: 3448
DOI: 10.1021/jm900286j

Target ChEMBL ID: CHEMBL276
ChEMBL Target Name: Muscarinic acetylcholine receptor M1
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
%max	=	43.58	%
%max	=	43.16	%
%max	=	49.2	%
%max	=	46.52	%
%max	=	70.54	%
%max	=	82.4	%
%max	=	19.4	%
%max	=	62.67	%
%max	=	20.31	%
%max	=	46.88	%
%max	=	49.44	%
%max	=	14.09	%
%max	=	13.21	%
%max	=	12.69	%
%max	=	73.26	%
%max	=	43.42	%
%max	=	47.78	%
%max	=	21.27	%
%max	=	67.04	%
%max	=	17.81	%

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

来源：IUPHAR-DB 靶标：M1 receptor (Acetylcholine receptors (muscarinic)) [Homo sapiens]

External ID: 13_Human

Protocol: The International Union of Basic and Clinical Pharmacology/British Pharmacological Society (IUPHAR/BPS) Guide to PHARMACOLOGY Database (GtoPdb) uses expert subcommittees to collate peer-reviewed information from the published literature regarding individual protein targets, and describes the pharmacology, genetics, function and anatomy of each target. Its pages provide a richly curated overview of the pharmacology of receptors, ion channels, enzymes and other target types, which can be found by following the external link to the GtoPdb website.

Comment: The data collected focuses on ligands at human receptors. Data are provided at rat or mouse orthologues where there are significant species differences, or where data are not yet available at the human target.

Information on individual experimental protocols can be found in the primary references listed for each ligand.

Affinity data are expressed as pKi [-log(Ki)], pKd [-log(Kd)], pIC50 [-log(IC50)], pEC50 [-log(EC50)], pKB [-log(KB)], pA2 or as a micromolar concentration range. In most cases the original concentration can be found in the primary reference.

pKi_min	pKi_max	pKd_min	pKd_max	pIC50_min	pIC50_max	pEC50_min	pEC50_max	Type	Action	Reference (PubMed ID)
		10.5	10.5					Antagonist	Antagonist	20133736
4.1	4.7							Agonist	Partial agonist	1310135
		6.4	6.4					Allosteric modulator	Positive	10860942
7.3	7.6							Antagonist	Antagonist	12512959,16439611
6.4	6.4							Agonist	Full agonist	9224827
7.6	7.6			7.2	7.2			Antagonist	Antagonist	12122494,20590605,21524581
5.1	5.1							Agonist	Partial agonist	9224827
4	4							Agonist	Full agonist	9224827
		10.6	10.8					Antagonist	Antagonist	3443095,11578621
11	11.1							Allosteric modulator	Negative	10799315
6.2	6.2							Agonist	Partial agonist	21558436
		9.3	9.3					Antagonist	Antagonist	20133736
9.9	9.9							Antagonist	Antagonist	16439611
7.4	7.4							Agonist	Full agonist	11504829
		5.1	5.1					Allosteric modulator	Positive	10860942
7.2	7.5							Antagonist	Antagonist	9671109,1994002
		5	5					Allosteric modulator	Negative	9224827
						5.2	5.2	Allosteric modulator	Positive	19438238
9.3	9.3							Antagonist	Antagonist	11303071
7.1	7.1							Antagonist	Antagonist	7925952

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

来源：ChEMBL 靶标：Muscarinic acetylcholine receptor M1

External ID: CHEMBL939026

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: 2009
Volume: 52
Issue: 11
First Page: 3445
Last Page: 3448
DOI: 10.1021/jm900286j

Target ChEMBL ID: CHEMBL276
ChEMBL Target Name: Muscarinic acetylcholine receptor M1
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
30	EC50	>	30000	nM
30	EC50	>	30000	nM
30	EC50	>	30000	nM
30	EC50	>	30000	nM
30	EC50	>	30000	nM
8.55	EC50	=	8550	nM
30	EC50	>	30000	nM
5.18	EC50	=	5180	nM

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

来源：IUPHAR-DB 靶标：M5 receptor (Acetylcholine receptors (muscarinic)) [Homo sapiens]

External ID: 17_Human

Protocol: The International Union of Basic and Clinical Pharmacology/British Pharmacological Society (IUPHAR/BPS) Guide to PHARMACOLOGY Database (GtoPdb) uses expert subcommittees to collate peer-reviewed information from the published literature regarding individual protein targets, and describes the pharmacology, genetics, function and anatomy of each target. Its pages provide a richly curated overview of the pharmacology of receptors, ion channels, enzymes and other target types, which can be found by following the external link to the GtoPdb website.

Comment: The data collected focuses on ligands at human receptors. Data are provided at rat or mouse orthologues where there are significant species differences, or where data are not yet available at the human target.

Information on individual experimental protocols can be found in the primary references listed for each ligand.

Affinity data are expressed as pKi [-log(Ki)], pKd [-log(Kd)], pIC50 [-log(IC50)], pEC50 [-log(EC50)], pKB [-log(KB)], pA2 or as a micromolar concentration range. In most cases the original concentration can be found in the primary reference.

pKi_min	pKi_max	pKd_min	pKd_max	pIC50_min	pIC50_max	pEC50_min	pEC50_max	Type	Action	Reference (PubMed ID)
		3.6	3.6					Allosteric modulator	Negative	7651370
5.4	6.5							Antagonist	Antagonist	7925952,1331410,1994002
7.2	7.2							Antagonist	Antagonist	20590605
5	5							Agonist	Partial agonist	16002459
5.2	5.2							Antagonist	Antagonist	12235229
7.1	7.1							Agonist	Partial agonist	10323594
		10.2	10.7					Antagonist	Antagonist
4.9	4.9							Agonist	Full agonist	10323594
5	5							Antagonist	Antagonist	10799315
7.8	7.8							Agonist	Full agonist	11504829
8.3	8.3							Agonist	Full agonist	11504829
9.3	9.7							Antagonist	Antagonist	2704370,11303071
6.7	7.4							Agonist	Partial agonist	9884068,16002459,10323594
6.8	7.2							Antagonist	Antagonist	2704370,8759038
9	9							Antagonist	Antagonist	1994002
5.6	5.6							Antagonist	Antagonist	19407080
		8.2	8.2					Antagonist	Antagonist	1346637
		2.3	2.3					Allosteric modulator	Negative, Positive	9495826
						5.1	5.1	Agonist	Partial agonist	8968358
				9.7	9.7			Antagonist	Antagonist	21036043

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

来源：ChEMBL 靶标：Muscarinic acetylcholine receptor M4

External ID: CHEMBL957800

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2009
Volume: 52
Issue: 11
First Page: 3445
Last Page: 3448
DOI: 10.1021/jm900286j

Target ChEMBL ID: CHEMBL317
ChEMBL Target Name: Muscarinic acetylcholine receptor M4
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	Activity Comment
EC50	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：Muscarinic acetylcholine receptor M5

External ID: CHEMBL957802

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2009
Volume: 52
Issue: 11
First Page: 3445
Last Page: 3448
DOI: 10.1021/jm900286j

Target ChEMBL ID: CHEMBL2035
ChEMBL Target Name: Muscarinic acetylcholine receptor M5
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
%max	=	29.19	%
%max	=	36.34	%
%max	=	48.52	%
%max	=	60.75	%
%max	=	63.96	%
%max	=	74.4	%
%max	=	28.04	%
%max	=	51.69	%
%max	=	32.61	%
%max	=	38.74	%
%max	=	30.32	%
%max	=	21.18	%
%max	=	47.56	%
%max	=	60.73	%
%max	=	61.99	%
%max	=	41.96	%
%max	=	36.15	%
%max	=	44.35	%
%max	=	70.76	%
%max	=	30.57	%

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

来源：ChEMBL 靶标：Muscarinic acetylcholine receptor M5

External ID: CHEMBL957801

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: 2009
Volume: 52
Issue: 11
First Page: 3445
Last Page: 3448
DOI: 10.1021/jm900286j

Target ChEMBL ID: CHEMBL2035
ChEMBL Target Name: Muscarinic acetylcholine receptor M5
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
3.28	EC50	=	3280	nM
10	EC50	>	10000	nM
7.15	EC50	=	7150	nM
1.7	EC50	=	1700	nM
1.16	EC50	=	1160	nM
7.13	EC50	=	7130	nM
30	EC50	>	30000	nM
3.26	EC50	=	3260	nM

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

来源：ChEMBL 靶标：Muscarinic acetylcholine receptor M3

External ID: CHEMBL957798

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2009
Volume: 52
Issue: 11
First Page: 3445
Last Page: 3448
DOI: 10.1021/jm900286j

Target ChEMBL ID: CHEMBL245
ChEMBL Target Name: Muscarinic acetylcholine receptor M3
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
%max	=	65.5	%
%max	=	78	%

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

来源：ChEMBL 靶标：Muscarinic acetylcholine receptor M5

External ID: CHEMBL1071910

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: 2010
Volume: 20
Issue: 2
First Page: 558
Last Page: 562
DOI: 10.1016/j.bmcl.2009.11.089

Target ChEMBL ID: CHEMBL2035
ChEMBL Target Name: Muscarinic acetylcholine receptor M5
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
2.7	EC50	=	2700	nM
2.8	EC50	=	2800	nM
4.8	EC50	=	4800	nM
3.6	EC50	=	3600	nM

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

来源：ChEMBL 靶标：Muscarinic acetylcholine receptor M1

External ID: CHEMBL1071304

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: 2010
Volume: 20
Issue: 2
First Page: 558
Last Page: 562
DOI: 10.1016/j.bmcl.2009.11.089

Target ChEMBL ID: CHEMBL276
ChEMBL Target Name: Muscarinic acetylcholine receptor M1
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
30	EC50	>	30000	nM
30	EC50	>	30000	nM
30	EC50	>	30000	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_11549_3

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	1.57	1570	P0DTD1	BDBM50063746	Replicase polyprotein 1ab
IC50	99.5	99500	P0DTD1	BDBM50046962	Replicase polyprotein 1ab
IC50	99.5	99500	P0DTD1	BDBM50179010	Replicase polyprotein 1ab
IC50	198	198000	P0DTD1	BDBM50258439	Replicase polyprotein 1ab
IC50	99.5	99500	P0DTD1	BDBM50384998	Replicase polyprotein 1ab
IC50	2.4	2400	P0DTD1	BDBM50438912	Replicase polyprotein 1ab
IC50	81.7	81700	P0DTD1	BDBM132149	Replicase polyprotein 1ab
IC50	1.78	1780	P0DTD1	BDBM38667	Replicase polyprotein 1ab
IC50	8.47	8470	P0DTD1	BDBM47848	Replicase polyprotein 1ab
IC50	3.8	3800	P0DTD1	BDBM47871	Replicase polyprotein 1ab
IC50	1.4	1400	P0DTD1	BDBM71447	Replicase polyprotein 1ab
IC50	99.5	99500	P0DTD1	BDBM87765	Replicase polyprotein 1ab
IC50	99	99000	P0DTD1	BDBM235785	Replicase polyprotein 1ab
IC50	99	99000	P0DTD1	BDBM381823	Replicase polyprotein 1ab
IC50	6.5E-4	0.65	P0DTD1	BDBM420298	Replicase polyprotein 1ab
IC50	99.5	99500	P0DTD1	BDBM429266	Replicase polyprotein 1ab
IC50	0.05	50	P0DTD1	BDBM429304	Replicase polyprotein 1ab
IC50	3.14	3140	P0DTD1	BDBM429328	Replicase polyprotein 1ab
IC50	1.63	1630	P0DTD1	BDBM429461	Replicase polyprotein 1ab
IC50	5.32	5320	P0DTD1	BDBM429465	Replicase polyprotein 1ab

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

来源：IUPHAR-DB 靶标：M3 receptor (Acetylcholine receptors (muscarinic)) [Homo sapiens]

External ID: 15_Human

Protocol: The International Union of Basic and Clinical Pharmacology/British Pharmacological Society (IUPHAR/BPS) Guide to PHARMACOLOGY Database (GtoPdb) uses expert subcommittees to collate peer-reviewed information from the published literature regarding individual protein targets, and describes the pharmacology, genetics, function and anatomy of each target. Its pages provide a richly curated overview of the pharmacology of receptors, ion channels, enzymes and other target types, which can be found by following the external link to the GtoPdb website.

Comment: The data collected focuses on ligands at human receptors. Data are provided at rat or mouse orthologues where there are significant species differences, or where data are not yet available at the human target.

Information on individual experimental protocols can be found in the primary references listed for each ligand.

Affinity data are expressed as pKi [-log(Ki)], pKd [-log(Kd)], pIC50 [-log(IC50)], pEC50 [-log(EC50)], pKB [-log(KB)], pA2 or as a micromolar concentration range. In most cases the original concentration can be found in the primary reference.

pKi_min	pKi_max	pKd_min	pKd_max	pIC50_min	pIC50_max	Type	Action	Reference (PubMed ID)
		10.7	10.7			Antagonist	Antagonist	23435542
9.5	11.1					Antagonist	Antagonist	16847442,8441333
		4.2	5.7			Allosteric modulator	Negative	9224827,7651370
5.7	5.7					Agonist	Full agonist	9224827
7.7	8			6.9	6.9	Antagonist	Antagonist	12122494,20590605,21524581
5.1	5.1					Agonist	Partial agonist	9224827
4.2	4.2					Agonist	Full agonist	9224827
7	7					Agonist	Partial agonist	10323594
		10.4	10.4			Antagonist	Antagonist	3443095
5	5					Antagonist	Antagonist	10799315
		5.2	5.2			Allosteric modulator	Neutral	9224827
		3.6	4			Allosteric modulator	Negative	9224827,9495826
10.4	10.4					Antagonist	Antagonist	16847442
7.1	7.7					Agonist	Full agonist	11504829
8.3	8.3					Agonist	Full agonist	11504829
		8.4	8.4			Antagonist	Antagonist	1346637
8.9	8.9					Antagonist	Antagonist	2704370
8.9	8.9					Antagonist	Antagonist	2704370
6.1	6.1					Antagonist	Antagonist	2704370
7.8	7.8					Antagonist	Antagonist	2704370

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: CHEMBL1071914

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2010
Volume: 20
Issue: 2
First Page: 558
Last Page: 562
DOI: 10.1016/j.bmcl.2009.11.089

Standard Type	Standard Relation	Standard Value
Ratio AUC	=	0.25
Ratio AUC	=	0.25
Ratio AUC	=	0.25
Ratio AUC	=	0.25

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：Muscarinic acetylcholine receptor M5

External ID: CHEMBL957813

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2009
Volume: 52
Issue: 11
First Page: 3445
Last Page: 3448
DOI: 10.1021/jm900286j

Target ChEMBL ID: CHEMBL2035
ChEMBL Target Name: Muscarinic acetylcholine receptor M5
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	=	50	%

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：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

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

来源：ChEMBL 靶标：Muscarinic acetylcholine receptor M5

External ID: CHEMBL1259938

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: 2010
Volume: 20
Issue: 19
First Page: 5617
Last Page: 5622
DOI: 10.1016/j.bmcl.2010.08.042

Target ChEMBL ID: CHEMBL2035
ChEMBL Target Name: Muscarinic acetylcholine receptor M5
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
5.9	EC50	=	5900	nM
2.2	EC50	=	2200	nM

79183-37-2 靶点实验数据