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: CHEMBL1066257

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: 3
First Page: 991
Last Page: 993
DOI: 10.1016/j.bmcl.2009.12.059

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.34	IC50	=	340	nM
21.4	IC50	=	21400	nM

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

来源：ChEMBL 靶标：Endothelin-converting enzyme 1

External ID: CHEMBL1045249

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: 2010
Volume: 53
Issue: 1
First Page: 208
Last Page: 220
DOI: 10.1021/jm9010803

Target ChEMBL ID: CHEMBL4791
ChEMBL Target Name: Endothelin-converting enzyme 1
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
5	Ki	>	5000	nM

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

来源：ChEMBL 靶标：Endothelin-converting enzyme 1

External ID: CHEMBL675442

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 1997
Volume: 7
Issue: 8
First Page: 1059
Last Page: 1064
DOI: 10.1016/S0960-894X(97)00159-5

Target ChEMBL ID: CHEMBL4791
ChEMBL Target Name: Endothelin-converting enzyme 1
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	=	9	%
Inhibition	=	79	%
Inhibition	=	47	%

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

来源：ChEMBL 靶标：Elastase

External ID: CHEMBL5257279

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: 2016
Volume: 59
Issue: 13
First Page: 5929
Last Page: 5969
DOI: 10.1021/acs.jmedchem.5b01698

Target ChEMBL ID: CHEMBL1075146
ChEMBL Target Name: Pseudolysin
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
1	IC50	=	1000	nM

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

来源：Shanghai Institute of Organic Chemistry 靶标：N/A

External ID: PDBbind-Ki for protein-ligand complexes

Protocol:

Comment:

PDBbind Data Link	Affinity_Quilifier	Ki	PubMed	Protein Target	Protein Name	MMDB	PDB
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1mto	=	0.11	12390023	1MTO_A,1MTO_B	6-phosphofructokinase	21480	1MTO
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1mu6	=	0.0042	12570369	1MU6_B	thrombin alpha	26736	1MU6
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1mue	=	0.0023	12657281	1MUE_B	thrombin alpha	26738	1MUE
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1mx1	>	100	12725862	1MX1_A	carboxylesterase i	22651	1MX1
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1mxo	=	0.001		1MXO_A	beta-lactamase	22061	1MXO
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1my8	=	0.035		1MY8_A	beta-lactamase	22064	1MY8
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n1v	=	140	12507479	1N1V_A	neuraminidase (sialidase)	21810	1N1V
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n2v	=	83	12646024	1N2V_A	queuine tRNA-ribosyltransferase	22661	1N2V
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n3i	=	0.0013	12755607	1N3I_A,1N3I_B	purine nucleoside phosphorylase	24646	1N3I
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n46	=	3.0E-5	12565933	1N46_A	thyroid hormone receptor beta-1	22662	1N46
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n4h	=	0.28	12958591	1N4H_A	nuclear receptor ror-beta	24647	1N4H
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n5r	=	2.2	12505979	1N5R_A	acetylcholinesterase	21834	1N5R
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n7i	=	0.26	14695818	1N7I_A	phenylethanolamine n-methyltransferase	25597	1N7I
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1nc1	=	0.75	12496243	1NC1_A,1NC1_B	mta/sah nucleosidase	25250	1NC1
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1nc3	=	10	12496243	1NC3_A,1NC3_B	mta/sah nucleosidase	22390	1NC3
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1nde	=	0.015	12459017	1NDE_A	estrogen receptor beta	21544	1NDE
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1ndz	=	0.0077	14709046	1NDZ_A	adenosine deaminase	25613	1NDZ
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1nhv	=	2.2	12509436	1NHV_A	rna-dependent rna polymerase	22403	1NHV
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1nny	=	0.022	12670229	1NNY_A	tyrosine phosphatase 1b	22696	1NNY
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1noj	=	700	8652510	1NOJ_A	glycogen phosphorylase	56992	1NOJ

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: CHEMBL848152

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2000
Volume: 43
Issue: 3
First Page: 488
Last Page: 504
DOI: 10.1021/jm990507o

Standard Type	Standard Relation	Standard Value
Selectivity	<	5.0E-5
Selectivity	=	0.0024
Selectivity	=	0.025

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

来源：ChEMBL 靶标：Neprilysin

External ID: CHEMBL1045248

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: 2010
Volume: 53
Issue: 1
First Page: 208
Last Page: 220
DOI: 10.1021/jm9010803

Target ChEMBL ID: CHEMBL1944
ChEMBL Target Name: Neprilysin
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
0.03	IC50	=	30	nM
5	Ki	>	5000	nM

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

来源：ChEMBL 靶标：Severe acute respiratory syndrome coronavirus 2

External ID: CHEMBL4513082

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL4303835
ChEMBL Target Name: SARS-CoV-2
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: SARS-CoV-2 Screening Data

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	=	0.24	%
Inhibition	=	4.58	%
Inhibition	=	-0.3	%
Inhibition	=	-0.3	%
Inhibition	=	-0.04	%
Inhibition	=	-0.04	%
Inhibition	=	-0.08	%
Inhibition	=	-0.08	%
Inhibition	=	-0.08	%
Inhibition	=	-0.08	%
Inhibition	=	0.03	%
Inhibition	=	0	%
Inhibition	=	0.03	%
Inhibition	=	0	%
Inhibition	=	-0.27	%
Inhibition	=	-0.27	%
Inhibition	=	-0.08	%
Inhibition	=	-0.08	%
Inhibition	=	14.41	%
Inhibition	=	0.39	%

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: CHEMBL678352

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1998
Volume: 41
Issue: 9
First Page: 1513
Last Page: 1523
DOI: 10.1021/jm970787c

Standard Type	Standard Relation	Standard Value
Selectivity	=	0.0024
Selectivity	=	0.025

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

来源：ChEMBL 靶标：Endothelin-converting enzyme 1

External ID: CHEMBL878272

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2000
Volume: 43
Issue: 3
First Page: 488
Last Page: 504
DOI: 10.1021/jm990507o

Target ChEMBL ID: CHEMBL4791
ChEMBL Target Name: Endothelin-converting enzyme 1
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	=	9	%
Inhibition	=	47	%

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: CHEMBL847403

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 1994
Volume: 4
Issue: 10
First Page: 1257
Last Page: 1262
DOI: 10.1016/S0960-894X(01)80341-3

Standard Type	Standard Relation	Standard Value
Ratio	=	1.4

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: CHEMBL4376609

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2020
Volume: 185
First Page: 111812
Last Page: 111812
DOI: 10.1016/j.ejmech.2019.111812

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	=	78	%

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

来源：ChEMBL 靶标：Replicase polyprotein 1ab

External ID: CHEMBL4495582

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL4523582
ChEMBL Target Name: Replicase polyprotein 1ab
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: SARS-CoV-2 Screening Data

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	=	13.77	%
Inhibition	=	2.35	%
Inhibition	=	21.17	%
Inhibition	=	18.36	%
Inhibition	=	5.381	%
Inhibition	=	18.17	%
Inhibition	=	10.15	%
Inhibition	=	29.56	%
Inhibition	=	18.27	%
Inhibition	=	11.42	%
Inhibition	=	15.4	%
Inhibition	=	7.437	%
Inhibition	=	-3.216	%
Inhibition	=	18	%
Inhibition	=	1.021	%
Inhibition	=	16.4	%
Inhibition	=	2.544	%
Inhibition	=	19.11	%
Inhibition	=	26.15	%
Inhibition	=	5.133	%

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: CHEMBL4376610

Protocol: N/A

Comment: Journal: Eur J Med Chem
Year: 2020
Volume: 185
First Page: 111812
Last Page: 111812
DOI: 10.1016/j.ejmech.2019.111812

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
20	IC50	=	20000	nM

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

来源：ChEMBL 靶标：Endothelin-converting enzyme 1

External ID: CHEMBL676076

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: 1993
Volume: 36
Issue: 1
First Page: 173
Last Page: 176
DOI: 10.1021/jm00053a023

Target ChEMBL ID: CHEMBL4791
ChEMBL Target Name: Endothelin-converting enzyme 1
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
100	IC50	>>	100000	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_5666_1

Protocol: N/A

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

Standard Type	Standard Relation	PubChem Standard Value	Ki Qualifier	Ki	IC50 Qualifier	IC50	Target Accession(s)	Ligand	Target
Ki		0.195		195		380	P0DPD8	BDBM92500	EEF1AKMT4-ECE2 readthrough transcript protein
Ki	>	10	>	10000	>	10000	P0DPD8	BDBM92501	EEF1AKMT4-ECE2 readthrough transcript protein
Ki		0.0223		22.3		43.4	P0DPD8	BDBM92502	EEF1AKMT4-ECE2 readthrough transcript protein
Ki		0.0077		7.7		15.1	P0DPD8	BDBM92503	EEF1AKMT4-ECE2 readthrough transcript protein

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: CHEMBL1002633

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. Nat. Prod.
Year: 2005
Volume: 68
Issue: 5
First Page: 794
Last Page: 796
DOI: 10.1021/np0500631

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
0.6	IC50	=	600	nM
5.8	IC50	=	5800	nM
500	IC50	>	500000	nM	Outside typical range
19.1	IC50	=	19100	nM
14.2	IC50	=	14200	nM
26.6	IC50	=	26600	nM

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

来源：ChEMBL 靶标：Thermolysin

External ID: CHEMBL814135

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2002
Volume: 45
Issue: 13
First Page: 2770
Last Page: 2780
DOI: 10.1021/jm0105833

Target ChEMBL ID: CHEMBL3392
ChEMBL Target Name: Thermolysin
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Standard Type	Standard Relation	Standard Value
Log Kd	=	-5.89
Log Kd	=	-3.72
Log Kd	=	-5.91
Log Kd	=	-6.37
Log Kd	=	-7.56

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

来源：ChEMBL 靶标：Endothelin-converting enzyme 1

External ID: CHEMBL1060020

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: 2009
Volume: 19
Issue: 16
First Page: 4715
Last Page: 4719
DOI: 10.1016/j.bmcl.2009.06.064

Target ChEMBL ID: CHEMBL4791
ChEMBL Target Name: Endothelin-converting enzyme 1
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	Activity Comment
10	IC50	>	10000	nM

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

来源：ChEMBL 靶标：Neprilysin

External ID: CHEMBL1833759

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.
Year: 2011
Volume: 19
Issue: 20
First Page: 5935
Last Page: 5947
DOI: 10.1016/j.bmc.2011.08.064

Target ChEMBL ID: CHEMBL1944
ChEMBL Target Name: Neprilysin
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
0.0097	IC50	=	9.7	nM

36357-77-4 靶点实验数据