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: CHEMBL1266185

Protocol: N/A

Comment: Journal: Nat Chem Biol
Year: 2007
Volume: 3
Issue: 5
First Page: 268
Last Page: 273
DOI: 10.1038/nchembio873

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

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

来源：ChEMBL 靶标：Gamma-aminobutyric acid receptor subunit alpha-4

External ID: CHEMBL659786

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: 1997
Volume: 40
Issue: 11
First Page: 1668
Last Page: 1681
DOI: 10.1021/jm960733n

Target ChEMBL ID: CHEMBL2094107
ChEMBL Target Name: GABA-A receptor; anion channel
ChEMBL Target Type: PROTEIN COMPLEX GROUP - Target is a poorly defined protein complex, where subunit composition is unclear (e.g., GABA-A receptor)
Relationship Type: H - Homologous protein target assigned
Confidence: Multiple homologous protein targets may be assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.105	POT	=	105	nM
0.115	POT	=	115	nM
0.3	POT	=	300	nM
0.45	POT	=	450	nM
1.3	POT	=	1300	nM
0.91	POT	=	910	nM
1.5	POT	=	1500	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：GABAA receptor alpha5 subunit (GABAA receptors) [Homo sapiens]

External ID: 408_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	pEC50_min	pEC50_max	Type	Action	Reference (PubMed ID)
						Allosteric modulator	Full agonist
						Allosteric modulator	Inverse agonist
						Allosteric modulator	Potentiation
						Allosteric modulator	Inverse agonist
						Allosteric modulator	Inverse agonist
						Antagonist	Antagonist
						Allosteric modulator	Inverse agonist
						Allosteric modulator	Potentiation
						Allosteric modulator	Inverse agonist
				8	8	Allosteric modulator	Positive	12408715
						Antagonist	Antagonist
						Allosteric modulator	Mixed
8.8	8.8	8.4	8.4			Allosteric modulator	Positive	10633039,18537233
8.3	8.3					Allosteric modulator	Positive	8632757
						Allosteric modulator	Inverse agonist
8.1	8.1					Allosteric modulator	Negative	29674331
						Allosteric modulator	Inverse agonist
						Channel blocker
9.2	9.2					Allosteric modulator	Antagonist	9767648
						Allosteric modulator	Full agonist

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL789038

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1990
Volume: 33
Issue: 6
First Page: 1572
Last Page: 1581
DOI: 10.1021/jm00168a008

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
Recovery	=	176000	dpm ml-1
Recovery	=	316000	dpm ml-1

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL789037

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1990
Volume: 33
Issue: 6
First Page: 1572
Last Page: 1581
DOI: 10.1021/jm00168a008

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
Recovery	=	342000	dpm ml-1
Recovery	=	212000	dpm ml-1

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

来源：IUPHAR-DB 靶标：GABAA receptor alpha1 subunit (GABAA receptors) [Homo sapiens]

External ID: 404_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	pEC50_min	pEC50_max	Type	Action	Reference (PubMed ID)
						Allosteric modulator	Positive
						Allosteric modulator	Inverse agonist
						Allosteric modulator	Potentiation
						Allosteric modulator	Inverse agonist
						Allosteric modulator	Inverse agonist
						Antagonist	Antagonist
						Allosteric modulator	Inverse agonist
						Allosteric modulator	Potentiation
7.8	7.8					Allosteric modulator	Positive	2551039
						Allosteric modulator	Inverse agonist
				7.4	7.4	Allosteric modulator	Positive	12408715
						Antagonist	Antagonist
						Allosteric modulator	Mixed
9.1	9.1	9	9			Allosteric modulator	Positive	10633039,18537233
8.3	8.3					Allosteric modulator	Positive	8632757
						Allosteric modulator	Full agonist
						Allosteric modulator	Inverse agonist
7.4	7.7					Allosteric modulator	Positive	8719414,8813598
						Channel blocker
9.1	9.1					Allosteric modulator	Antagonist	9767648

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL796241

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1990
Volume: 33
Issue: 6
First Page: 1572
Last Page: 1581
DOI: 10.1021/jm00168a008

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
Total tritium	=	50.4	%
Total tritium	=	48.1	%

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

来源：ChEMBL 靶标：Glucose-6-phosphate 1-dehydrogenase

External ID: CHEMBL2061901

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: 9
First Page: 4431
Last Page: 4445
DOI: 10.1021/jm300317k

Target ChEMBL ID: CHEMBL5347
ChEMBL Target Name: Glucose-6-phosphate 1-dehydrogenase
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	Data Validity Comment
81.4	IC50	=	81400	nM
9.4	IC50	=	9400	nM
20.8	IC50	=	20800	nM
200	IC50	>	200000	nM	Outside typical range
48	IC50	=	48000	nM
31.6	IC50	=	31600	nM
5.3	IC50	=	5300	nM
200	IC50	>	200000	nM	Outside typical range
200	IC50	>	200000	nM	Outside typical range
200	IC50	>	200000	nM	Outside typical range
1.7	IC50	=	1700	nM
200	IC50	>	200000	nM	Outside typical range
11	IC50	=	11000	nM
37.8	IC50	=	37800	nM
200	IC50	>	200000	nM	Outside typical range

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

来源：Broad Institute 靶标：N/A

External ID: 7124-01_Inhibitor_SinglePoint_HTS_Activity

Protocol:
Protocol:
1) Plate 10 uL BL2-NFkB-luc cells at 12.5K cells/well, using a Multidrop Combi reagent dispenser (1,250 cells/uL).
2) Add 25 nL compound or positive control, by pin transfer; IKK inhibitor VII will be used at 50 uM.
3) Incubate at 37 masculineC for 1 hour (allowing compounds to enter cells for action).
4) Add 5 uL 192 ng/mL tCD40L per well for a final concentration of 64 ng/ml using a Thermo Multidrop Combi.
5) Incubate at 37 masculineC for 4 hrs, then leave plate at RT for 30 minutes.
6) Add 15 uL SteadyGlo luciferase substrate (Promega) per well using a Thermo Multidrop Combi.
7) Incubate at RT for 5min, then read Luminescence using LJL Analyst HT plate reader.

Comment: PRESENCE OF CONTROLS: Neutral control wells (NC) and positive control wells (PC) were included on every plate.

EXPECTED OUTCOME: Active compounds result in decreasing readout signal.

NORMALIZATION:
The raw signals of the plate wells were normalized using the 'Neutral Controls Minus Inhibitors' method in Genedata Assay Analyzer (v10.0.2):
The median raw signal of the intraplate neutral control wells was set to a normalized activity value of 0.
The median raw signal of the intraplate positive control wells was set to a normalized activity value of -100.
Experimental wells values were scaled to this range.

PATTERN CORRECTION: No plate pattern correction algorithm from Genedata Condoseo (v.10.0.2) was applied.

PUBCHEM_ACTIVITY_SCORE:
This was set as equal to the mean of the normalized sample replicate activities, rounded to the nearest integer .
The minimum PUBCHEM_ACTIVITY_SCORE required for a compound to be called a hit (the activity threshold, or AT) was set at -50.

PERCENTAGE OF ACTIVE REPLICATES:
For each sample, the percentage of replicates (PCT_ACTIVE_REP) which had activity scores >= AT was determined.
The minimum percentage of replicates required for a compound to be called a hit (PAR_T) was set at 55.

PUBCHEM_ACTIVITY_OUTCOME:
Samples passing BOTH threshold criteria were assigned an outcome of 2 (active):
PUBCHEM_ACTIVITY_SCORE >= AT, and PCT_ACTIVE_REP >= PAR_T

Samples passing NEITHER threshold criteria were assigned an outcome of 1 (inactive):
PUBCHEM_ACTIVITY_SCORE < AT, and PCT_ACTIVE_REP < PAR_T

Samples passing AT only were assigned an outcome of 1 (inactive) :
PUBCHEM_ACTIVITY_SCORE >= AT, and PCT_ACTIVE_REP < PAR_T

Samples passing PAR_T only were assigned an outcome of 1 (inactive) :
PUBCHEM_ACTIVITY_SCORE < AT, and PCT_ACTIVE_REP >= PAR_T

REPRODUCIBILITY_COSINE_TRANSFORM	REPLICATE_A_ACTIVITY_SCORE_10uM_(%)	REPLICATE_B_ACTIVITY_SCORE_10uM_(%)
0.7962	-2.349	-0.32
1	5.673	5.654
0.9921	9.247	7.171
1	10.265	10.389
0.9927	-11.538	-9.04
0	4.22
0.9884	1.7	1.248
0.859	20.454	5.179
0.5725	5.367	-0.953
0.98	-5.16	-7.79
0.955	9.686	5.096
0.6821	-13.005	0.453
0.8754	8.354	2.409
0.9468	11.738	5.785
0.9853	-15.255	-10.751
0.526	-1.759	7.464
0.8435	10	2.218
0.9897	19.16	14.325
1	-28.597	-28.833
0.9935	6.701	8.436

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

来源：IUPHAR-DB 靶标：GABAA receptor alpha3 subunit (GABAA receptors) [Homo sapiens]

External ID: 406_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	pEC50_min	pEC50_max	Type	Action	Reference (PubMed ID)
8.9	8.9			Allosteric modulator	Positive
				Allosteric modulator	Full agonist
				Allosteric modulator	Inverse agonist
				Allosteric modulator	Potentiation
				Allosteric modulator	Inverse agonist
				Allosteric modulator	Inverse agonist
				Antagonist	Antagonist
				Allosteric modulator	Inverse agonist
				Allosteric modulator	Potentiation
7.8	7.8			Allosteric modulator	Positive	2551039
				Allosteric modulator
		7.2	7.2	Allosteric modulator	Positive	12408715
				Antagonist	Antagonist
				Allosteric modulator	Mixed
8.8	8.8			Allosteric modulator	Positive	10633039
7.8	7.8			Allosteric modulator	Positive	8632757
				Allosteric modulator	Inverse agonist
5.7	5.7			Allosteric modulator	Positive	8391122
				Channel blocker
9	9			Allosteric modulator	Antagonist	9767648

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

来源：Broad Institute 靶标：histone-lysine N-methyltransferase EZH2 isoform a [Homo sapiens]

External ID: 2125-01_Inhibitor_SinglePoint_HTS_Activity

Protocol: Protocol:
PRC2 activity was measured using Dissociation-Enhanced Lanthanide Fluoro-ImmunoAssays (DELFIA) performed on 384-well, white, streptavidin-coated plates (PerkinElmer). In short, PRC2 was diluted to 30 ng and 3 ng per well in 20 uL 2X Enzyme Buffer (50mM Tris HCl pH 8.5, 10 mM DTT, 5 mM MgCl). Compounds were pinned at 100 nL per well and reactions were initiated with 20 uL of a 5 uM SAM (NEB) solution containing 600 nM H3[21-44]-GK-biotin (AnaSpec; PRC2).

Plates were incubated at room temperature for 1 hr and then washed three times with 100 uL of Wash Buffer (50mM Tris pH 7.4, 150 mM NaCl, 0.05% Tween 20, 0.2% BSA). 50 ul of Fluoroimmunoassay (FI) Buffer (50 mM Tris HCl pH 7.8, 150 mM NaCl, 0.05% Tween 40, 25 iM DTPA, 0.2% BSA, 0.05% BGG)containing a 1:4000 dilution of anti-H3K27me2 rabbit IgG (Cell Signaling, #9728) with 691 ng/mL Eu-N1-anti-rabbit IgG (PerkinElmer)was added to each well for PRC2 reactions.

Following 1 hr incubation at room temperature, the plates were washed three times with Wash Buffer and 50 uL of Enhancement Solution (PerkinElmer) was added to each well. Plates were incubated for 30 min at room temperature and time-resolved fluorescence (TRF) was measured on Wallac Envision 2104 Multilabel Reader (400 us window, 400 us delay, 320 excitation, 615 emission).

Comment: PRESENCE OF CONTROLS: Neutral control wells (NC) and positive control wells (PC) were included on every plate.

EXPECTED OUTCOME: Active compounds result in decreasing readout signal.

NORMALIZATION:
The raw signals of the plate wells were normalized using the 'Neutral Controls Minus Inhibitors' method in Genedata Assay Analyzer (v7.0.3):
The median raw signal of the intraplate neutral control wells was set to a normalized activity value of 0.
The median raw signal of the intraplate positive control wells was set to a normalized activity value of -100.
Experimental wells values were scaled to this range.
All well activities were then multiplied by -1 to create a positive activity readout value range, to match Pubchem convention.

PATTERN CORRECTION: No plate pattern correction algorithm from Genedata Condoseo (v.7.0.3) was applied.

PUBCHEM_ACTIVITY_SCORE:
This was set as equal to the mean of the normalized sample replicate activities, rounded to the nearest integer .
The minimum PUBCHEM_ACTIVITY_SCORE required for a compound to be called a hit (the activity threshold, or AT) was set at 50.

PERCENTAGE OF ACTIVE REPLICATES:
For each sample, the percentage of replicates (PCT_ACTIVE_REP) which had activity scores >= AT was determined.
The minimum percentage of replicates required for a compound to be called a hit (PAR_T) was set at 100.

PUBCHEM_ACTIVITY_OUTCOME:
Samples passing BOTH threshold criteria were assigned an outcome of 2 (active):
PUBCHEM_ACTIVITY_SCORE >= AT, and PCT_ACTIVE_REP >= PAR_T

Samples passing NEITHER threshold criteria were assigned an outcome of 1 (inactive):
PUBCHEM_ACTIVITY_SCORE < AT, and PCT_ACTIVE_REP < PAR_T

Samples passing AT only were assigned an outcome of 3 (inconclusive) :
PUBCHEM_ACTIVITY_SCORE >= AT, and PCT_ACTIVE_REP < PAR_T

Samples passing PAR_T only were assigned an outcome of 1 (inactive) :
PUBCHEM_ACTIVITY_SCORE < AT, and PCT_ACTIVE_REP >= PAR_T

REPRODUCIBILITY_COSINE_TRANSFORM	PCT_ACTIVE_REPLICATES	REPLICATE_A_ACTIVITY_SCORE_12.5uM_(%)	REPLICATE_B_ACTIVITY_SCORE_12.5uM_(%)
0	0	0.193
0	0	-0.443
0	0	0.02
0	0	-10.883
0	0	3.986
0	0	16.236
0	0	38.043
0	0	3.387
0	0	13.272
0	0	-0.209
0	0	0.757
0	0	2.786
0	0	-12.234
0	0	-10.048
0	0	1.844
0	0	-2.259
0	0	-8.602
0	0	1.219
0	0	6.005
0	0	13.086

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

来源：ChEMBL 靶标：Gamma-aminobutyric acid receptor subunit alpha-3

External ID: CHEMBL842878

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1999
Volume: 42
Issue: 13
First Page: 2403
Last Page: 2408
DOI: 10.1021/jm9805889

Target ChEMBL ID: CHEMBL1907607
ChEMBL Target Name: GABA-A receptor; anion channel
ChEMBL Target Type: PROTEIN COMPLEX GROUP - Target is a poorly defined protein complex, where subunit composition is unclear (e.g., GABA-A receptor)
Relationship Type: D - Direct protein target assigned
Confidence: Multiple direct protein targets may be assigned

Standard Type	Standard Relation	Standard Value
GS	=	32.6
GS	=	33.9

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

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL795744

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1990
Volume: 33
Issue: 6
First Page: 1572
Last Page: 1581
DOI: 10.1021/jm00168a008

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
Potentiation	=	-1.8	nM mg-1
Potentiation	=	13	nM mg-1
Potentiation	=	10.4	nM mg-1
Potentiation	=	10.3	nM mg-1
Potentiation	=	7	nM mg-1
Potentiation	=	4.9	nM mg-1
Potentiation	=	10.9	nM mg-1
Potentiation	=	13.1	nM mg-1
Potentiation	=	1.97	nM mg-1
Potentiation	=	0.98	nM mg-1
Potentiation	=	0.7	nM mg-1
Potentiation	=	2.57	nM mg-1
Potentiation	=	-2.1	nM mg-1
Potentiation	=	-2.58	nM mg-1
Potentiation	=	-0.96	nM mg-1
Potentiation	=	7.7	nM mg-1

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

来源：ChEMBL 靶标：Gamma-aminobutyric acid receptor subunit gamma-2

External ID: CHEMBL5263755

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2018
Volume: 28
Issue: 2
First Page: 61
Last Page: 70
DOI: 10.1016/j.bmcl.2017.11.043

Target ChEMBL ID: CHEMBL2093872
ChEMBL Target Name: GABA-A receptor; anion channel
ChEMBL Target Type: PROTEIN COMPLEX GROUP - Target is a poorly defined protein complex, where subunit composition is unclear (e.g., GABA-A receptor)
Relationship Type: D - Direct protein target assigned
Confidence: Multiple direct protein targets may be assigned

Standard Type	Standard Relation	Standard Value
FC	=	1.98
FC	=	4.36
FC	=	2.24
FC	=	3.52
FC	=	3.47
FC	=	0.76

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

来源：IUPHAR-DB 靶标：GABAA receptor alpha2 subunit (GABAA receptors) [Homo sapiens]

External ID: 405_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	pEC50_min	pEC50_max	Type	Action	Reference (PubMed ID)
9.5	9.5			Allosteric modulator	Positive
				Allosteric modulator	Full agonist
				Allosteric modulator	Inverse agonist
				Allosteric modulator	Potentiation
				Allosteric modulator	Inverse agonist
				Allosteric modulator	Inverse agonist
				Antagonist	Antagonist
				Allosteric modulator	Inverse agonist
				Allosteric modulator	Potentiation
7.8	7.8			Allosteric modulator	Positive	2551039
				Allosteric modulator	Inverse agonist
		7.9	7.9	Allosteric modulator	Positive	12408715
				Antagonist	Antagonist
				Allosteric modulator	Mixed
9.2	9.2			Allosteric modulator	Positive	10633039
8.3	8.3			Allosteric modulator	Positive	8632757
				Allosteric modulator	Inverse agonist
6.1	6.1			Allosteric modulator	Positive	8391122
				Channel blocker
9.1	9.1			Allosteric modulator	Antagonist	9767648

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL5263754

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2018
Volume: 28
Issue: 2
First Page: 61
Last Page: 70
DOI: 10.1016/j.bmcl.2017.11.043

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
ED50	=	8.8	mg.kg-1
ED50	=	4.2	mg.kg-1
ED50	=	7.7	mg.kg-1
ED50	=	5	mg.kg-1
ED50	=	1.5	mg.kg-1
ED50	>	100	mg.kg-1

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL722979

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1997
Volume: 40
Issue: 11
First Page: 1668
Last Page: 1681
DOI: 10.1021/jm960733n

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
HD50	=	83	uM kg-1
HD50	=	68	uM kg-1
HD50	=	6.3	uM kg-1
HD50	=	10	uM kg-1
HD50	=	9.5	uM kg-1
HD50	=	18.5	uM kg-1
HD50	=	9.8	uM kg-1
HD50	=	7.3	uM kg-1
HD50	=	34.6	uM kg-1
HD50	=	22.2	uM kg-1
HD50	=	8.5	uM kg-1

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

来源：ChEMBL 靶标：Plasmodium falciparum

External ID: CHEMBL1267247

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: Nat Chem Biol
Year: 2009
Volume: 5
Issue: 10
First Page: 765
Last Page: 771
DOI: 10.1038/nchembio.215

Target ChEMBL ID: CHEMBL364
ChEMBL Target Name: Plasmodium falciparum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
12.5892	IC50	=	12589.25	nM
15.8489	IC50	=	15848.93	nM
12.5892	IC50	=	12589.25	nM
12.5892	IC50	=	12589.25	nM
5.01187	IC50	=	5011.87	nM
1.99526	IC50	=	1995.26	nM
12.5892	IC50	=	12589.25	nM
10	IC50	=	10000	nM
0.00148	IC50	=	1.48	nM
1.58489	IC50	=	1584.89	nM
15.8489	IC50	=	15848.93	nM
5.2E-4	IC50	=	0.52	nM
0.50119	IC50	=	501.19	nM
0.00112	IC50	=	1.12	nM
1	IC50	=	1000	nM
12.5892	IC50	=	12589.25	nM
10	IC50	=	10000	nM
12.5892	IC50	=	12589.25	nM
3.98107	IC50	=	3981.07	nM
12.5892	IC50	=	12589.25	nM

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

来源：ChEMBL 靶标：Plasmodium falciparum

External ID: CHEMBL1267249

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: Nat Chem Biol
Year: 2009
Volume: 5
Issue: 10
First Page: 765
Last Page: 771
DOI: 10.1038/nchembio.215

Target ChEMBL ID: CHEMBL364
ChEMBL Target Name: Plasmodium falciparum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
15.8489	IC50	=	15848.93	nM
12.5892	IC50	=	12589.25	nM
7.94328	IC50	=	7943.28	nM
10	IC50	=	10000	nM
10	IC50	=	10000	nM
7.94328	IC50	=	7943.28	nM
3.16228	IC50	=	3162.28	nM
5.01187	IC50	=	5011.87	nM
3.16228	IC50	=	3162.28	nM
0.00141	IC50	=	1.41	nM
1.25893	IC50	=	1258.93	nM
15.8489	IC50	=	15848.93	nM
3.5E-4	IC50	=	0.35	nM
0.31623	IC50	=	316.23	nM
8.9E-4	IC50	=	0.89	nM
0.79433	IC50	=	794.33	nM
10	IC50	=	10000	nM
10	IC50	=	10000	nM
10	IC50	=	10000	nM
12.5892	IC50	=	12589.25	nM

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

来源：ChEMBL 靶标：Plasmodium falciparum

External ID: CHEMBL1267250

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: Nat Chem Biol
Year: 2009
Volume: 5
Issue: 10
First Page: 765
Last Page: 771
DOI: 10.1038/nchembio.215

Target ChEMBL ID: CHEMBL364
ChEMBL Target Name: Plasmodium falciparum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
10	IC50	=	10000	nM
10	IC50	=	10000	nM
12.5892	IC50	=	12589.25	nM
7.94328	IC50	=	7943.28	nM
10	IC50	=	10000	nM
10	IC50	=	10000	nM
2.51189	IC50	=	2511.89	nM
10	IC50	=	10000	nM
7.94328	IC50	=	7943.28	nM
8.3E-4	IC50	=	0.83	nM
0.79433	IC50	=	794.33	nM
12.5892	IC50	=	12589.25	nM
6.3E-4	IC50	=	0.63	nM
0.63096	IC50	=	630.96	nM
8.9E-4	IC50	=	0.89	nM
0.79433	IC50	=	794.33	nM
10	IC50	=	10000	nM
10	IC50	=	10000	nM
7.94328	IC50	=	7943.28	nM
12.5892	IC50	=	12589.25	nM

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

来源：ChEMBL 靶标：Plasmodium falciparum

External ID: CHEMBL1267251

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: Nat Chem Biol
Year: 2009
Volume: 5
Issue: 10
First Page: 765
Last Page: 771
DOI: 10.1038/nchembio.215

Target ChEMBL ID: CHEMBL364
ChEMBL Target Name: Plasmodium falciparum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
1.99526	IC50	=	1995.26	nM
7.94328	IC50	=	7943.28	nM
3.16228	IC50	=	3162.28	nM
0.79433	IC50	=	794.33	nM
6.30957	IC50	=	6309.57	nM
2.51189	IC50	=	2511.89	nM
2.51189	IC50	=	2511.89	nM
12.5892	IC50	=	12589.25	nM
1	IC50	=	1000	nM
12.5892	IC50	=	12589.25	nM
0.19953	IC50	=	199.53	nM
10	IC50	=	10000	nM
3.98107	IC50	=	3981.07	nM
3.16228	IC50	=	3162.28	nM
12.5892	IC50	=	12589.25	nM
0.79433	IC50	=	794.33	nM
10	IC50	=	10000	nM
1.99526	IC50	=	1995.26	nM
6.30957	IC50	=	6309.57	nM
5.01187	IC50	=	5011.87	nM

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

来源：ChEMBL 靶标：Gamma-aminobutyric acid receptor subunit beta-2

External ID: CHEMBL769939

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2000
Volume: 43
Issue: 17
First Page: 3201
Last Page: 3204
DOI: 10.1021/jm0002477

Target ChEMBL ID: CHEMBL2095167
ChEMBL Target Name: GABA-A receptor; alpha-1/beta-2/gamma-2
ChEMBL Target Type: PROTEIN COMPLEX - Target is a defined protein complex, consisting of multiple subunits
Relationship Type: D - Direct protein target assigned
Confidence: Direct protein complex subunits assigned

Standard Type	Standard Relation	Standard Value
Activity	=	3.89
Activity	=	1.92
Activity	=	4.55
Activity	=	2.37

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

来源：ChEMBL 靶标：Gamma-aminobutyric acid receptor subunit beta-2

External ID: CHEMBL769940

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2000
Volume: 43
Issue: 17
First Page: 3201
Last Page: 3204
DOI: 10.1021/jm0002477

Target ChEMBL ID: CHEMBL2095167
ChEMBL Target Name: GABA-A receptor; alpha-1/beta-2/gamma-2
ChEMBL Target Type: PROTEIN COMPLEX - Target is a defined protein complex, consisting of multiple subunits
Relationship Type: D - Direct protein target assigned
Confidence: Direct protein complex subunits assigned

Standard Type	Standard Relation	Standard Value
Activity	=	1.26
Activity	=	0.97
Activity	=	1.3
Activity	=	1.21

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

来源：ChEMBL 靶标：Gamma-aminobutyric acid receptor subunit beta-2

External ID: CHEMBL769937

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2000
Volume: 43
Issue: 17
First Page: 3201
Last Page: 3204
DOI: 10.1021/jm0002477

Target ChEMBL ID: CHEMBL2095167
ChEMBL Target Name: GABA-A receptor; alpha-1/beta-2/gamma-2
ChEMBL Target Type: PROTEIN COMPLEX - Target is a defined protein complex, consisting of multiple subunits
Relationship Type: D - Direct protein target assigned
Confidence: Direct protein complex subunits assigned

Standard Type	Standard Relation	Standard Value
Activity	=	9.65
Activity	=	4.3
Activity	=	11.83
Activity	=	5.43

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

来源：ChEMBL 靶标：Gamma-aminobutyric acid receptor subunit beta-2

External ID: CHEMBL769938

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2000
Volume: 43
Issue: 17
First Page: 3201
Last Page: 3204
DOI: 10.1021/jm0002477

Target ChEMBL ID: CHEMBL2095167
ChEMBL Target Name: GABA-A receptor; alpha-1/beta-2/gamma-2
ChEMBL Target Type: PROTEIN COMPLEX - Target is a defined protein complex, consisting of multiple subunits
Relationship Type: D - Direct protein target assigned
Confidence: Direct protein complex subunits assigned

Standard Type	Standard Relation	Standard Value
Activity	=	0.37
Activity	=	0.01
Activity	=	1.67
Activity	=	0.19

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL724122

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1997
Volume: 40
Issue: 11
First Page: 1668
Last Page: 1681
DOI: 10.1021/jm960733n

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
SD	=	3.9	min
SD	=	3.1	min
SD	=	1.7	min
SD	=	7.9	min
SD	=	10.6	min
SD	=	13.6	min
SD	=	3.7	min
SD	=	7.6	min
SD	=	14.7	min
SD	=	3.6	min

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

来源：IUPHAR-DB 靶标：GABAA receptor alpha6 subunit (GABAA receptors) [Homo sapiens]

External ID: 409_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	Type	Action	Reference (PubMed ID)
		Agonist	Full agonist
		Channel blocker
		Allosteric modulator	Potentiation
6.8	6.8	Allosteric modulator	Partial agonist	9767648
		Allosteric modulator	Antagonist
		Allosteric modulator	Full agonist
		Allosteric modulator	Full agonist
7.8	7.8	Agonist	Inverse agonist
		Agonist	Agonist
		Antagonist	Antagonist
		Allosteric modulator	Full agonist
		Allosteric modulator	Potentiation
		Allosteric modulator	Partial agonist
		Agonist	Full agonist
		Agonist	Full agonist
		Antagonist	Antagonist
		Channel blocker
		Allosteric modulator	Inhibition
		Allosteric modulator	Mixed

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

来源：ChEMBL 靶标：Plasmodium falciparum

External ID: CHEMBL1267245

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: Nat Chem Biol
Year: 2009
Volume: 5
Issue: 10
First Page: 765
Last Page: 771
DOI: 10.1038/nchembio.215

Target ChEMBL ID: CHEMBL364
ChEMBL Target Name: Plasmodium falciparum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
1.25893	IC50	=	1258.93	nM
10	IC50	=	10000	nM
10	IC50	=	10000	nM
12.5892	IC50	=	12589.25	nM
10	IC50	=	10000	nM
2.51189	IC50	=	2511.89	nM
1.99526	IC50	=	1995.26	nM
12.5892	IC50	=	12589.25	nM
3.16228	IC50	=	3162.28	nM
5.9E-4	IC50	=	0.59	nM
0.63096	IC50	=	630.96	nM
12.5892	IC50	=	12589.25	nM
9.0E-5	IC50	=	0.09	nM
0.1	IC50	=	100	nM
8.3E-4	IC50	=	0.83	nM
0.79433	IC50	=	794.33	nM
10	IC50	=	10000	nM
12.5892	IC50	=	12589.25	nM
10	IC50	=	10000	nM
12.5892	IC50	=	12589.25	nM

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

来源：ChEMBL 靶标：Gamma-aminobutyric acid receptor subunit alpha-3

External ID: CHEMBL682136

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: 1997
Volume: 40
Issue: 11
First Page: 1668
Last Page: 1681
DOI: 10.1021/jm960733n

Target ChEMBL ID: CHEMBL1907607
ChEMBL Target Name: GABA-A receptor; anion channel
ChEMBL Target Type: PROTEIN COMPLEX GROUP - Target is a poorly defined protein complex, where subunit composition is unclear (e.g., GABA-A receptor)
Relationship Type: H - Homologous protein target assigned
Confidence: Multiple homologous protein targets may be assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.091	IC50	=	91	nM
0.117	IC50	=	117	nM
0.22	IC50	=	220	nM
1.49	IC50	=	1490	nM
1.14	IC50	=	1140	nM
0.206	IC50	=	206	nM
1.16	IC50	=	1160	nM
9.04	IC50	=	9040	nM
0.231	IC50	=	231	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：GABAA receptor alpha4 subunit (GABAA receptors) [Homo sapiens]

External ID: 407_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.

Type	Action	Reference (PubMed ID)
Agonist	Full agonist
Agonist	Full agonist
Channel blocker
Allosteric modulator	Potentiation
Allosteric modulator	Antagonist
Allosteric modulator	Full agonist
Allosteric modulator	Full agonist
Antagonist	Antagonist
Agonist	Agonist
Allosteric modulator	Full agonist
Allosteric modulator	Potentiation
Allosteric modulator	Partial agonist
Agonist	Full agonist
Agonist	Full agonist
Antagonist	Antagonist
Channel blocker
Antagonist	Antagonist
Allosteric modulator	Mixed

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

来源：ChEMBL 靶标：Plasmodium falciparum

External ID: CHEMBL1267246

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: Nat Chem Biol
Year: 2009
Volume: 5
Issue: 10
First Page: 765
Last Page: 771
DOI: 10.1038/nchembio.215

Target ChEMBL ID: CHEMBL364
ChEMBL Target Name: Plasmodium falciparum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
12.5892	IC50	=	12589.25	nM
7.94328	IC50	=	7943.28	nM
10	IC50	=	10000	nM
12.5892	IC50	=	12589.25	nM
10	IC50	=	10000	nM
3.98107	IC50	=	3981.07	nM
3.98107	IC50	=	3981.07	nM
5.01187	IC50	=	5011.87	nM
9.3E-4	IC50	=	0.93	nM
1	IC50	=	1000	nM
12.5892	IC50	=	12589.25	nM
5.6E-4	IC50	=	0.56	nM
0.50119	IC50	=	501.19	nM
0.00141	IC50	=	1.41	nM
1.25893	IC50	=	1258.93	nM
10	IC50	=	10000	nM
10	IC50	=	10000	nM
10	IC50	=	10000	nM
12.5892	IC50	=	12589.25	nM
7.94328	IC50	=	7943.28	nM

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

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL822828

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2000
Volume: 43
Issue: 22
First Page: 4118
Last Page: 4125
DOI: 10.1021/jm000977e

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
HD50	=	68.9	uM kg-1
HD50	=	17.3	uM kg-1
HD50	=	239.4	uM kg-1
HD50	=	6.3	uM kg-1
HD50	=	10	uM kg-1
HD50	=	9.5	uM kg-1
HD50	=	18.5	uM kg-1

567-02-2 靶点实验数据