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: CHEMBL631528

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1983
Volume: 26
Issue: 10
First Page: 1341
Last Page: 1342
DOI: 10.1021/jm00364a001

Standard Type	Standard Relation	Standard Value
Ke	=	88
Ke	=	1.2
Ke	=	0.13
Ke	=	4.5
Ke	=	0.38

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

来源：ChEMBL 靶标：Mu-type opioid receptor

External ID: CHEMBL755008

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: 1992
Volume: 35
Issue: 24
First Page: 4589
Last Page: 4594
DOI: 10.1021/jm00102a012

Target ChEMBL ID: CHEMBL4354
ChEMBL Target Name: Mu opioid receptor
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
0.0025	IC50	=	2.5	nM
0.0028	IC50	=	2.8	nM
0.0024	IC50	=	2.4	nM
0.037	IC50	=	37	nM
7.3E-4	IC50	=	0.73	nM
0.001	IC50	=	1	nM
4.8E-4	IC50	=	0.48	nM

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

来源：ChEMBL 靶标：Mu-type opioid receptor

External ID: CHEMBL753769

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: 1990
Volume: 33
Issue: 8
First Page: 2286
Last Page: 2296
DOI: 10.1021/jm00170a038

Target ChEMBL ID: CHEMBL3041
ChEMBL Target Name: Mu opioid receptor
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
0.063	IC50	=	63	nM
0.434	IC50	=	434	nM
7.6E-4	IC50	=	0.76	nM

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

来源：ChEMBL 靶标：Kappa-type opioid receptor

External ID: CHEMBL4372802

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: 2019
Volume: 62
Issue: 2
First Page: 893
Last Page: 907
DOI: 10.1021/acs.jmedchem.8b01609

Target ChEMBL ID: CHEMBL237
ChEMBL Target Name: Kappa opioid receptor
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
0.011	Ki	=	11	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_7766_1

Protocol: N/A

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

Standard Type	PubChem Standard Value	Kd	Target Accession(s)	Ligand	Target
Kd	0.0013	1.3	P41145	BDBM50001714	Kappa-type opioid receptor [Q115A]
Kd	0.0028	2.8	P41145	BDBM50001714	Kappa-type opioid receptor [Y119A]
Kd	0.0019	1.9	P41145	BDBM50001714	Kappa-type opioid receptor [Y119F]
Kd	9.5E-4	0.95	P41145	BDBM50001714	Kappa-type opioid receptor [I135A]
Kd	0.0049	4.9	P41145	BDBM50001714	Kappa-type opioid receptor [D138A]
Kd	0.002	2	P41145	BDBM50001714	Kappa-type opioid receptor [D138N]
Kd	0.0036	3.6	P41145	BDBM50001714	Kappa-type opioid receptor [Y139A]
Kd	0.0014	1.4	P41145	BDBM50001714	Kappa-type opioid receptor [Y139F]
Kd	0.0047	4.7	P41145	BDBM50001714	Kappa-type opioid receptor [M142A]
Kd	0.0017	1.7	P41145	BDBM50001714	Kappa-type opioid receptor [K200A]
Kd	0.0014	1.4	P41145	BDBM50001714	Kappa-type opioid receptor [K212A]
Kd	0.0019	1.9	P41145	BDBM50001714	Kappa-type opioid receptor [M226A]
Kd	4.8E-4	0.48	P41145	BDBM50001714	Kappa-type opioid receptor [K227A]
Kd	0.0056	5.6	P41145	BDBM50001714	Kappa-type opioid receptor [H291A]
Kd	0.0037	3.7	P41145	BDBM50001714	Kappa-type opioid receptor [H291F]
Kd	0.003	3	P41145	BDBM50001714	Kappa-type opioid receptor [I294A]
Kd	9.8E-4	0.98	P41145	BDBM50001714	Kappa-type opioid receptor [E297A]
Kd	7.1E-4	0.71	P41145	BDBM50001714	Kappa-type opioid receptor [Y312A]
Kd	0.0052	5.2	P41145	BDBM50001714	Kappa-type opioid receptor [Y313A]
Kd	0.0014	1.4	P41145	BDBM50001714	Kappa-type opioid receptor [Y313F]

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

来源：ChEMBL 靶标：Kappa-type opioid receptor

External ID: CHEMBL747232

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: 2000
Volume: 43
Issue: 8
First Page: 1573
Last Page: 1576
DOI: 10.1021/jm000059g

Target ChEMBL ID: CHEMBL237
ChEMBL Target Name: Kappa opioid receptor
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
0.017	Ki	=	17	nM
0.0396	Ki	=	39.6	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：kappa receptor (Opioid receptors) [Homo sapiens]

External ID: 318_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)
7	7					Antagonist	Antagonist	18313920
8.6	8.6					Agonist	Agonist	24713140
9.1	10.2					Antagonist	Antagonist	9686407,9262330
7.4	7.4					Agonist	Agonist	18788723
7.8	7.8					Agonist	Agonist	19282177
9	11.2					Antagonist	Antagonist	25635572,23976952,11495579
9.5	9.5					Agonist	Agonist	29307491
10	10					Agonist	Partial agonist	9686407
				5.6	5.6	Agonist	Agonist	11585443
7.9	7.9					Agonist	Full agonist	7624359
10	10					Agonist	Full agonist	9686407
		8.7	8.8			Agonist	Full agonist	7624359,2986999
8.2	8.2					Antagonist	Antagonist	19282177
6.3	7.9					Agonist	Partial agonist	9686407,7624359
8.3	8.3					Agonist	Agonist	21177476
		10.1	10.1			Agonist	Full agonist	15383632
9.7	9.7					Agonist	Full agonist	9686407
8.3	10.8					Agonist	Full agonist	7869844,9686407,9262330,7624359
9.7	9.7					Antagonist	Antagonist	9686407
8.9	11					Antagonist	Antagonist	7869844,9686407,7624359,2444704,9262330

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

来源：IUPHAR-DB 靶标：mu receptor (Opioid receptors) [Mus musculus]

External ID: 319_Mouse

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	Type	Action	Reference (PubMed ID)
9.5	9.5			Antagonist	Antagonist	8114680
		10.1	10.1	Antagonist	Antagonist	8114680
10.1	10.1			Antagonist	Antagonist	8114680
10.3	10.3			Antagonist	Antagonist	8114680

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: CHEMBL631690

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1990
Volume: 33
Issue: 5
First Page: 1482
Last Page: 1490
DOI: 10.1021/jm00167a031

Standard Type	Standard Relation	Standard Value
LogP	=	0
LogP	=	-0.75

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

来源：ChEMBL 靶标：Mu-type opioid receptor

External ID: CHEMBL873929

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: 2000
Volume: 43
Issue: 8
First Page: 1573
Last Page: 1576
DOI: 10.1021/jm000059g

Target ChEMBL ID: CHEMBL233
ChEMBL Target Name: Mu opioid receptor
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
0.0027	Ki	=	2.7	nM
1.6E-4	Ki	=	0.16	nM

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

来源：ChEMBL 靶标：Mas-related G-protein coupled receptor member X2

External ID: CHEMBL5665199

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: 2017
Volume: 13
Issue: 5
First Page: 529
Last Page: 536
DOI: 10.1038/nchembio.2334

Target ChEMBL ID: CHEMBL5849
ChEMBL Target Name: Mas-related G-protein coupled receptor member X2
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Data Source: Chemical Probe data from Scientific Literature

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
31.6228	EC50	>	31622.78	nM
	pEC50				Not Determined(Insoluble)
6.60693	EC50	=	6606.93	nM
7	EC50	=	7000	nM
10	EC50	=	10000	nM
	pEC50				Not Determined(Insoluble)
	pEC50				Not Determined(Insoluble)
	pEC50				Not Determined(Insoluble)
	pEC50				Not Determined(Insoluble)
	pEC50				Not Determined(Insoluble)
	pEC50				Not Determined(Insoluble)
	pEC50				Not Determined(Insoluble)
	pEC50				Not Determined(Insoluble)
	pEC50				Not Determined(Insoluble)
	pEC50				Not Determined(Insoluble)
5.88844	EC50	=	5888.44	nM
	pEC50				Not Determined(Insoluble)
	pEC50				Not Determined(Insoluble)
58	EC50	=	58000	nM
15.4882	EC50	=	15488.17	nM

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

来源：ChEMBL 靶标：Kappa-type opioid receptor

External ID: CHEMBL747233

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: 2000
Volume: 43
Issue: 8
First Page: 1573
Last Page: 1576
DOI: 10.1021/jm000059g

Target ChEMBL ID: CHEMBL237
ChEMBL Target Name: Kappa opioid receptor
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
0.028	Ki	=	28	nM
0.189	Ki	=	189	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: CHEMBL847271

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1983
Volume: 26
Issue: 10
First Page: 1341
Last Page: 1342
DOI: 10.1021/jm00364a001

Standard Type	Standard Relation	Standard Value
Ratio	=	1.8

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

来源：ChEMBL 靶标：Kappa-type opioid receptor

External ID: CHEMBL747234

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: 2000
Volume: 43
Issue: 8
First Page: 1573
Last Page: 1576
DOI: 10.1021/jm000059g

Target ChEMBL ID: CHEMBL237
ChEMBL Target Name: Kappa opioid receptor
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
3.9E-4	Ki	=	0.39	nM
3.2E-4	Ki	=	0.32	nM

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

来源：ChEMBL 靶标：Mas-related G-protein coupled receptor member X2

External ID: CHEMBL5665202

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: 2017
Volume: 13
Issue: 5
First Page: 529
Last Page: 536
DOI: 10.1038/nchembio.2334

Target ChEMBL ID: CHEMBL5849
ChEMBL Target Name: Mas-related G-protein coupled receptor member X2
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Data Source: Chemical Probe data from Scientific Literature

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
31.6228	EC50	>	31622.78	nM
	pEC50				Not Determined(Insoluble)
6.16595	EC50	=	6165.95	nM
6.4	EC50	=	6400	nM
6.76083	EC50	=	6760.83	nM
	pEC50				Not Determined(Insoluble)
	pEC50				Not Determined(Insoluble)
	pEC50				Not Determined(Insoluble)
	pEC50				Not Determined(Insoluble)
	pEC50				Not Determined(Insoluble)
	pEC50				Not Determined(Insoluble)
	pEC50				Not Determined(Insoluble)
43.6516	EC50	=	43651.58	nM
	pEC50				Not Determined(Insoluble)
	pEC50				Not Determined(Insoluble)
3.23594	EC50	=	3235.94	nM
	pEC50				Not Determined(Insoluble)
	pEC50				Not Determined(Insoluble)
	pEC50				Not Determined(Insoluble)
	pEC50				Not Determined(Insoluble)

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

来源：ChEMBL 靶标：Mu-type opioid receptor

External ID: CHEMBL757366

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: 2000
Volume: 43
Issue: 8
First Page: 1573
Last Page: 1576
DOI: 10.1021/jm000059g

Target ChEMBL ID: CHEMBL233
ChEMBL Target Name: Mu opioid receptor
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
0.276	Ki	=	276	nM
0.04	Ki	=	40	nM

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

来源：ChEMBL 靶标：Mas-related G-protein coupled receptor member X2

External ID: CHEMBL5665206

Protocol: N/A

Comment: Journal: Nat Chem Biol
Year: 2017
Volume: 13
Issue: 5
First Page: 529
Last Page: 536
DOI: 10.1038/nchembio.2334

Target ChEMBL ID: CHEMBL5849
ChEMBL Target Name: Mas-related G-protein coupled receptor member X2
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Data Source: Chemical Probe data from Scientific Literature

Standard Type	Standard Relation	Standard Value	Standard Units
Emax	=	1.67	%
Emax	=	84.23	%
Emax	=	69.5	%
Emax	=	0.91	%
Emax	=	2.12	%
Emax	=	1.86	%
Emax	=	0.92	%
Emax	=	0.37	%
Emax	=	14.06	%
Emax	=	0.22	%
Emax	=	7.24	%
Emax	=	1.29	%
Emax	=	2.03	%
Emax	=	88.03	%
Emax	=	1.8	%
Emax	=	1.32	%
Emax	=	64.62	%
Emax	=	2.34	%
Emax	=	0.98	%
Emax	=	1.03	%

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

来源：ChEMBL 靶标：Mas-related G-protein coupled receptor member X2

External ID: CHEMBL5665207

Protocol: N/A

Comment: Journal: Nat Chem Biol
Year: 2017
Volume: 13
Issue: 5
First Page: 529
Last Page: 536
DOI: 10.1038/nchembio.2334

Target ChEMBL ID: CHEMBL5849
ChEMBL Target Name: Mas-related G-protein coupled receptor member X2
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Data Source: Chemical Probe data from Scientific Literature

Standard Type	Standard Relation	Standard Value	Standard Units
Emax	=	26.04	%
Emax	=	57.41	%
Emax	=	88.11	%
Emax	=	9.08	%
Emax	=	106.67	%
Emax	=	21.04	%
Emax	=	20.79	%
Emax	=	10.79	%
Emax	=	27.95	%
Emax	=	12.45	%
Emax	=	67.43	%
Emax	=	16.97	%
Emax	=	18.51	%
Emax	=	62.34	%
Emax	=	8.54	%
Emax	=	8.69	%
Emax	=	20.91	%
Emax	=	16.84	%
Emax	=	25.19	%
Emax	=	18.14	%

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

来源：ChEMBL 靶标：Mu-type opioid receptor

External ID: CHEMBL3748906

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: 2015
Volume: 58
Issue: 24
First Page: 9754
Last Page: 9767
DOI: 10.1021/acs.jmedchem.5b01664

Target ChEMBL ID: CHEMBL233
ChEMBL Target Name: Mu opioid receptor
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
0.001259	Ki	=	1.259	nM
0.003162	Ki	=	3.162	nM
1.995E-4	Ki	=	0.1995	nM

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

来源：ChEMBL 靶标：Delta-type opioid receptor

External ID: CHEMBL925058

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2007
Volume: 50
Issue: 8
First Page: 1799
Last Page: 1809
DOI: 10.1021/jm0612463

Target ChEMBL ID: CHEMBL269
ChEMBL Target Name: Delta opioid receptor
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
Activity	=	1.02
Activity	=	0.08
Activity	=	0
Activity	=	0.59
Activity	=	0.9
Activity	=	0.12
Activity	=	0.18
Activity	=	0
Activity	=	0.36

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

来源：ChEMBL 靶标：Delta-type opioid receptor

External ID: CHEMBL925059

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: 8
First Page: 1799
Last Page: 1809
DOI: 10.1021/jm0612463

Target ChEMBL ID: CHEMBL269
ChEMBL Target Name: Delta opioid receptor
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
0.037	Activity	=	37	nM
0.487	Activity	=	487	nM
0.081	Activity	=	81	nM
3.7E-5	Activity	=	0.037	nM
0.0065	Activity	=	6.5	nM
0.0084	Activity	=	8.4	nM
7.9E-5	Activity	=	0.079	nM
0.135	Activity	=	135	nM
0.04	Activity	=	40	nM

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

来源：ChEMBL 靶标：Mu-type opioid receptor

External ID: CHEMBL3293115

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: 2014
Volume: 57
Issue: 12
First Page: 5464
Last Page: 5469
DOI: 10.1021/jm500503k

Target ChEMBL ID: CHEMBL233
ChEMBL Target Name: Mu opioid receptor
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
2.4E-4	Ki	=	0.24	nM

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

来源：ChEMBL 靶标：Kappa-type opioid receptor

External ID: CHEMBL3293117

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: 2014
Volume: 57
Issue: 12
First Page: 5464
Last Page: 5469
DOI: 10.1021/jm500503k

Target ChEMBL ID: CHEMBL237
ChEMBL Target Name: Kappa opioid receptor
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
1.2E-4	Ki	=	0.12	nM

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

来源：ChEMBL 靶标：Delta-type opioid receptor

External ID: CHEMBL3293116

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: 2014
Volume: 57
Issue: 12
First Page: 5464
Last Page: 5469
DOI: 10.1021/jm500503k

Target ChEMBL ID: CHEMBL236
ChEMBL Target Name: Delta opioid receptor
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
0.0021	Ki	=	2.1	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：mu receptor (Opioid receptors) [Homo sapiens]

External ID: 319_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	pIC50_min	pIC50_max	pKB_min	pKB_max	Type	Action	Reference (PubMed ID)
9.3	9.3					Antagonist	Antagonist	18313920
9.1	9.1					Agonist	Agonist	24713140
8.8	8.8					Agonist	Agonist	22695132
8.8	8.8					Agonist	Partial agonist	9686407
7.5	7.5					Agonist	Agonist	18788723
		8.4	8.4			Agonist	Agonist	11585443
5.8	5.8					Agonist	Agonist	19282177
7.9	7.9					Antagonist	Antagonist	9686407
10	10					Agonist	Partial agonist	9686407
		6.5	6.5			Agonist	Agonist	11585443
9.5	9.5					Agonist	Full agonist	9686407
8.7	8.7					Antagonist	Antagonist	19282177
8.7	8.7					Agonist	Partial agonist	21177476
9.9	9.9					Agonist	Partial agonist	18674902
				6	6	Allosteric modulator	Neutral	23754417
8.1	8.1					Agonist	Full agonist	9686407
10	10					Antagonist	Antagonist	9686407
7.7	7.7					Antagonist	Antagonist	9686407
6.6	6.6					Agonist	Agonist	18788723
9.1	9.7					Antagonist	Antagonist	9686407,24973897

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

来源：ChEMBL 靶标：Mu-type opioid receptor

External ID: CHEMBL3748890

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: 2015
Volume: 58
Issue: 24
First Page: 9754
Last Page: 9767
DOI: 10.1021/acs.jmedchem.5b01664

Target ChEMBL ID: CHEMBL233
ChEMBL Target Name: Mu opioid receptor
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
0.0871	Ki	=	87.1	nM
0.001445	Ki	=	1.445	nM
2.754E-4	Ki	=	0.2754	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：delta receptor (Opioid receptors) [Homo sapiens]

External ID: 317_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	pIC50_min	pIC50_max	Type	Action	Reference (PubMed ID)
6.1	6.1			Agonist	Full agonist	9849897
7.9	7.9			Antagonist	Antagonist	18313920
7.7	7.7			Agonist	Agonist	24713140
9.3	9.3			Agonist	Full agonist	1313812,9686407
8.6	8.6			Agonist	Agonist	19694468
9.1	9.1			Agonist	Agonist	18788723
9.5	9.5			Agonist	Agonist
8	8			Agonist	Agonist	19027293
10	10			Antagonist	Antagonist	1851833,9686407
9.1	9.1			Agonist	Partial agonist	9686407
		5	5	Agonist	Agonist	11585443
8.6	8.6			Agonist	Full agonist	2831220
8.5	8.5			Agonist	Full agonist	9686407
6.1	6.1			Antagonist	Antagonist	19282177
8.3	8.3			Agonist	Full agonist	9686407
8.8	8.8			Agonist	Partial agonist	21177476
7.4	7.4			Agonist	Full agonist	9686407
8.9	8.9			Antagonist	Antagonist	9686407
8.1	8.1			Allosteric modulator	Positive
8.2	8.2			Antagonist	Antagonist	9686407

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: CHEMBL754401

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: 1990
Volume: 33
Issue: 5
First Page: 1482
Last Page: 1490
DOI: 10.1021/jm00167a031

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.0085	Ki	=	8.5	nM

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

来源：ChEMBL 靶标：Delta-type opioid receptor

External ID: CHEMBL754005

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: 1992
Volume: 35
Issue: 24
First Page: 4589
Last Page: 4594
DOI: 10.1021/jm00102a012

Target ChEMBL ID: CHEMBL2095181
ChEMBL Target Name: Opioid receptors; mu/kappa/delta
ChEMBL Target Type: PROTEIN FAMILY - Target is a group of closely related proteins
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
0.0111	IC50	=	11.1	nM
0.014	IC50	=	14	nM
0.11	IC50	=	110	nM
0.047	IC50	=	47	nM
0.0057	IC50	=	5.7	nM
0.0022	IC50	=	2.2	nM
0.0017	IC50	=	1.7	nM

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

来源：ChEMBL 靶标：Kappa-type opioid receptor

External ID: CHEMBL753523

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: 1992
Volume: 35
Issue: 24
First Page: 4589
Last Page: 4594
DOI: 10.1021/jm00102a012

Target ChEMBL ID: CHEMBL3952
ChEMBL Target Name: Kappa opioid receptor
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
0.021	IC50	=	21	nM
0.042	IC50	=	42	nM
0.88	IC50	=	880	nM
0.1	IC50	=	100	nM
0.0095	IC50	=	9.5	nM
0.0036	IC50	=	3.6	nM
0.0034	IC50	=	3.4	nM

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

来源：ChEMBL 靶标：Delta-type opioid receptor

External ID: CHEMBL750004

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: 1992
Volume: 35
Issue: 24
First Page: 4589
Last Page: 4594
DOI: 10.1021/jm00102a012

Target ChEMBL ID: CHEMBL236
ChEMBL Target Name: Delta opioid receptor
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
0.0014	IC50	=	1.4	nM
0.0032	IC50	=	3.2	nM
0.021	IC50	=	21	nM
3.2E-4	IC50	=	0.32	nM
0.015	IC50	=	15	nM
0.0013	IC50	=	1.3	nM
0.0013	IC50	=	1.3	nM

14357-78-9 靶点实验数据