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

来源：ChEMBL 靶标：Substance-P receptor

External ID: CHEMBL4125475

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: 2018
Volume: 28
Issue: 14
First Page: 2446
Last Page: 2450
DOI: 10.1016/j.bmcl.2018.06.009

Target ChEMBL ID: CHEMBL4027
ChEMBL Target Name: Neurokinin 1 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
0.0052	Ki	=	5.2	nM
3.0E-4	Ki	=	0.3	nM
0.0018	Ki	=	1.8	nM

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

来源：ChEMBL 靶标：Plasma

External ID: CHEMBL3375488

Protocol: N/A

Comment: Journal: ACS Med. Chem. Lett.
Year: 2014
Volume: 5
Issue: 12
First Page: 1272
Last Page: 1277
DOI: 10.1021/ml5002954

Target ChEMBL ID: CHEMBL613424
ChEMBL Target Name: Plasma
ChEMBL Target Type: TISSUE - Target is a healthy or diseased tissue
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
Drug recovery	=	22	%
Drug recovery	>	65	%

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

来源：ChEMBL 靶标：Plasma

External ID: CHEMBL3375487

Protocol: N/A

Comment: Journal: ACS Med. Chem. Lett.
Year: 2014
Volume: 5
Issue: 12
First Page: 1272
Last Page: 1277
DOI: 10.1021/ml5002954

Target ChEMBL ID: CHEMBL613424
ChEMBL Target Name: Plasma
ChEMBL Target Type: TISSUE - Target is a healthy or diseased tissue
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
Fu	=	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：Plasma

External ID: CHEMBL3375490

Protocol: N/A

Comment: Journal: ACS Med. Chem. Lett.
Year: 2014
Volume: 5
Issue: 12
First Page: 1272
Last Page: 1277
DOI: 10.1021/ml5002954

Target ChEMBL ID: CHEMBL613652
ChEMBL Target Name: Plasma
ChEMBL Target Type: TISSUE - Target is a healthy or diseased tissue
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
Drug recovery	=	1	%
Drug recovery	>	70	%

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

来源：ChEMBL 靶标：Plasma

External ID: CHEMBL3375489

Protocol: N/A

Comment: Journal: ACS Med. Chem. Lett.
Year: 2014
Volume: 5
Issue: 12
First Page: 1272
Last Page: 1277
DOI: 10.1021/ml5002954

Target ChEMBL ID: CHEMBL613652
ChEMBL Target Name: Plasma
ChEMBL Target Type: TISSUE - Target is a healthy or diseased tissue
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
Fu	=	0.18

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

来源：ChEMBL 靶标：Brain

External ID: CHEMBL3375492

Protocol: N/A

Comment: Journal: ACS Med. Chem. Lett.
Year: 2014
Volume: 5
Issue: 12
First Page: 1272
Last Page: 1277
DOI: 10.1021/ml5002954

Target ChEMBL ID: CHEMBL613617
ChEMBL Target Name: Brain
ChEMBL Target Type: TISSUE - Target is a healthy or diseased tissue
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
Vd	=	6	L.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：N/A

External ID: CHEMBL3375491

Protocol: N/A

Comment: Journal: ACS Med. Chem. Lett.
Year: 2014
Volume: 5
Issue: 12
First Page: 1272
Last Page: 1277
DOI: 10.1021/ml5002954

Standard Type	Standard Relation	Standard Value
Fu	=	0.17

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: CHEMBL3375494

Protocol: N/A

Comment: Journal: ACS Med. Chem. Lett.
Year: 2014
Volume: 5
Issue: 12
First Page: 1272
Last Page: 1277
DOI: 10.1021/ml5002954

Standard Type	Standard Relation	Standard Value	Standard Units
Papp	=	31	10'-6 cm/s

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: CHEMBL3301365

Protocol: N/A

Comment: Data Source: AstraZeneca DMPK/physicochemical

Standard Type	Standard Value	Standard Units
PPB	96	%
PPB	34.42	%
PPB	87.87	%
PPB	79.55	%
PPB	55.73	%
PPB	99.91	%
PPB	98.61	%
PPB	99.81	%
PPB	87.11	%
PPB	96.26	%
PPB	92.32	%
PPB	66.1	%
PPB	75.97	%
PPB	99.19	%
PPB	62.4	%
PPB	30.88	%
PPB	71.99	%
PPB	98.37	%
PPB	92.64	%
PPB	95.72	%

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

来源：ChEMBL 靶标：Brain

External ID: CHEMBL3375493

Protocol: N/A

Comment: Journal: ACS Med. Chem. Lett.
Year: 2014
Volume: 5
Issue: 12
First Page: 1272
Last Page: 1277
DOI: 10.1021/ml5002954

Target ChEMBL ID: CHEMBL613617
ChEMBL Target Name: Brain
ChEMBL Target Type: TISSUE - Target is a healthy or diseased tissue
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
Drug recovery	>	95	%

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: CHEMBL3375496

Protocol: N/A

Comment: Journal: ACS Med. Chem. Lett.
Year: 2014
Volume: 5
Issue: 12
First Page: 1272
Last Page: 1277
DOI: 10.1021/ml5002954

Standard Type	Standard Relation	Standard Value	Standard Units
CL	=	102.8	mL.min-1.g-1
CL	=	21.2	mL.min-1.g-1

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: CHEMBL3375495

Protocol: N/A

Comment: Journal: ACS Med. Chem. Lett.
Year: 2014
Volume: 5
Issue: 12
First Page: 1272
Last Page: 1277
DOI: 10.1021/ml5002954

Standard Type	Standard Relation	Standard Value
Ratio	=	1

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

来源：ChEMBL 靶标：Hepatocyte

External ID: CHEMBL3375498

Protocol: N/A

Comment: Journal: ACS Med. Chem. Lett.
Year: 2014
Volume: 5
Issue: 12
First Page: 1272
Last Page: 1277
DOI: 10.1021/ml5002954

Target ChEMBL ID: CHEMBL613289
ChEMBL Target Name: Hepatocyte
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
CL	=	39.4	mL.min-1.g-1

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: CHEMBL3375497

Protocol: N/A

Comment: Journal: ACS Med. Chem. Lett.
Year: 2014
Volume: 5
Issue: 12
First Page: 1272
Last Page: 1277
DOI: 10.1021/ml5002954

Standard Type	Standard Relation	Standard Value	Standard Units
CL	=	97.3	mL.min-1.g-1
CL	=	22.6	mL.min-1.g-1

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

来源：ChEMBL 靶标：MDCK

External ID: CHEMBL2043714

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2012
Volume: 55
Issue: 7
First Page: 3163
Last Page: 3169
DOI: 10.1021/jm201634q

Target ChEMBL ID: CHEMBL614068
ChEMBL Target Name: MDCK
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
Papp	=	211	nm/s

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

来源：ChEMBL 靶标：Substance-P receptor

External ID: CHEMBL3375499

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: ACS Med. Chem. Lett.
Year: 2014
Volume: 5
Issue: 12
First Page: 1272
Last Page: 1277
DOI: 10.1021/ml5002954

Target ChEMBL ID: CHEMBL249
ChEMBL Target Name: Neurokinin 1 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
0.0022	Ki	=	2.2	nM
0.0165	IC50	=	16.5	nM
0.0606	IC50	=	60.6	nM

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

来源：ChEMBL 靶标：MDCK

External ID: CHEMBL2044129

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2012
Volume: 55
Issue: 7
First Page: 3163
Last Page: 3169
DOI: 10.1021/jm201634q

Target ChEMBL ID: CHEMBL614068
ChEMBL Target Name: MDCK
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
Ratio	=	0.86

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

来源：ChEMBL 靶标：MDCK

External ID: CHEMBL2043713

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2012
Volume: 55
Issue: 7
First Page: 3163
Last Page: 3169
DOI: 10.1021/jm201634q

Target ChEMBL ID: CHEMBL614068
ChEMBL Target Name: MDCK
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
Papp	=	246	nm/s

4801-80-3 靶点实验数据