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: CHEMBL2449007

Protocol: N/A

Comment: Journal: Pharm Res
Year: 2013
DOI: 10.1007/s11095-013-1232-z

Standard Type	Standard Value	Activity Comment
pKa	8.11	Basic pKa
pKa	8.31	Basic pKa
pKa	6.01	Acidic pKa
pKa	4.42	Acidic pKa
pKa	6.16	Acidic pKa
pKa	8.62	Basic pKa
pKa	6.23	Acidic pKa
pKa	8.51	Basic pKa
pKa	9.51	Basic pKa
pKa	9.56	Basic pKa
pKa	9.51	Basic pKa
pKa	2.65	Acidic pKa
pKa	8.02	Basic pKa
pKa	9.54	Basic pKa
pKa	3.5	Acidic pKa
pKa	2.88	Acidic pKa
pKa	9.53	Basic pKa
pKa	3.52	Acidic pKa
pKa	7.9	Basic pKa
pKa	10.13	Basic pKa

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

来源：ChEMBL 靶标：Large neutral amino acids transporter small subunit 1

External ID: CHEMBL4386800

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2019
Volume: 29
Issue: 16
First Page: 2254
Last Page: 2258
DOI: 10.1016/j.bmcl.2019.06.033

Target ChEMBL ID: CHEMBL4459
ChEMBL Target Name: L-type amino acid transporter 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

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	=	92	%
Inhibition	=	85	%
Inhibition	=	79	%
Inhibition	=	49	%
Inhibition	=	70	%
Inhibition	=	74	%
Inhibition	=	99	%
Inhibition	=	98	%
Inhibition	=	84	%
Inhibition	=	58	%
Inhibition	=	59	%
Inhibition	=	20	%

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

来源：ChEMBL 靶标：Carbonic anhydrase 2

External ID: CHEMBL2156561

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: 2012
Volume: 22
Issue: 20
First Page: 6324
Last Page: 6327
DOI: 10.1016/j.bmcl.2012.08.088

Target ChEMBL ID: CHEMBL205
ChEMBL Target Name: Carbonic anhydrase II
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
10.9	KA	=	10.9	uM
34	KA	=	34	uM
15	KA	=	15	uM
0.011	KA	=	0.011	uM
0.013	KA	=	0.013	uM
11.4	KA	=	11.4	uM
43	KA	=	43	uM
0.035	KA	=	0.035	uM
7.8	KA	=	7.8	uM
2.3	KA	=	2.3	uM
0.19	KA	=	0.19	uM
0.15	KA	=	0.15	uM
0.087	KA	=	0.087	uM

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: CHEMBL2156562

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: 2012
Volume: 22
Issue: 20
First Page: 6324
Last Page: 6327
DOI: 10.1016/j.bmcl.2012.08.088

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.11	KA	=	0.11	uM
0.1	KA	=	0.1	uM
0.33	KA	=	0.33	uM
0.68	KA	=	0.68	uM
0.001	KA	=	0.001	uM
0.008	KA	=	0.008	uM
0.007	KA	=	0.007	uM
0.002	KA	=	0.002	uM
0.09	KA	=	0.09	uM
0.012	KA	=	0.012	uM
5.13	KA	=	5.13	uM
0.43	KA	=	0.43	uM
0.09	KA	=	0.09	uM
0.1	KA	=	0.1	uM
0.97	KA	=	0.97	uM
0.83	KA	=	0.83	uM

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: CHEMBL2156559

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2012
Volume: 22
Issue: 20
First Page: 6324
Last Page: 6327
DOI: 10.1016/j.bmcl.2012.08.088

Standard Type	Standard Relation	Standard Value	Standard Units
Kcat	=	1.4	10'7/s
Kcat	=	4.1	10'6/s

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

来源：ChEMBL 靶标：Carbonic anhydrase 1

External ID: CHEMBL2156560

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: 2012
Volume: 22
Issue: 20
First Page: 6324
Last Page: 6327
DOI: 10.1016/j.bmcl.2012.08.088

Target ChEMBL ID: CHEMBL261
ChEMBL Target Name: Carbonic anhydrase I
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	KA	=	0.03	uM
26	KA	=	26	uM
13	KA	=	13	uM
0.02	KA	=	0.02	uM
0.07	KA	=	0.07	uM
3.1	KA	=	3.1	uM
0.09	KA	=	0.09	uM
86	KA	=	86	uM
4.9	KA	=	4.9	uM
7.4	KA	=	7.4	uM
0.14	KA	=	0.14	uM
0.24	KA	=	0.24	uM
0.34	KA	=	0.34	uM

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

来源：ChEMBL 靶标：Carbonic anhydrase 2

External ID: CHEMBL3870984

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: 2017
Volume: 27
Issue: 1
First Page: 77
Last Page: 80
DOI: 10.1016/j.bmcl.2016.11.027

Target ChEMBL ID: CHEMBL205
ChEMBL Target Name: Carbonic anhydrase II
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
10.9	KA	=	10.9	uM
96	KA	=	96	uM
34	KA	=	34	uM
15	KA	=	15	uM
0.011	KA	=	0.011	uM
0.013	KA	=	0.013	uM
27	KA	=	27	uM
12	KA	=	12	uM
11.4	KA	=	11.4	uM
43	KA	=	43	uM
0.035	KA	=	0.035	uM
7.8	KA	=	7.8	uM
2.3	KA	=	2.3	uM
0.19	KA	=	0.19	uM
0.15	KA	=	0.15	uM
	KA				Not Determined

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

来源：ChEMBL 靶标：Carbonic anhydrase

External ID: CHEMBL3870985

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2017
Volume: 27
Issue: 1
First Page: 77
Last Page: 80
DOI: 10.1016/j.bmcl.2016.11.027

Target ChEMBL ID: CHEMBL3932
ChEMBL Target Name: Carbonic anhydrase
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
68	KA	=	68	uM
39	KA	=	39	uM
11.4	KA	=	11.4	uM
24	KA	=	24	uM
24	KA	=	24	uM
68	KA	=	68	uM
38	KA	=	38	uM
33	KA	=	33	uM
39	KA	=	39	uM
46	KA	=	46	uM
42	KA	=	42	uM
37	KA	=	37	uM
10.1	KA	=	10.1	uM
45	KA	=	45	uM
72	KA	=	72	uM
	KA				Not Determined

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: CHEMBL3870986

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: 2017
Volume: 27
Issue: 1
First Page: 77
Last Page: 80
DOI: 10.1016/j.bmcl.2016.11.027

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
24.7	KA	=	24.7	uM
0.019	KA	=	0.019	uM
2.36	KA	=	2.36	uM
0.034	KA	=	0.034	uM
0.2	KA	=	0.2	uM
1.73	KA	=	1.73	uM
0.43	KA	=	0.43	uM
0.052	KA	=	0.052	uM
0.072	KA	=	0.072	uM
0.086	KA	=	0.086	uM
0.13	KA	=	0.13	uM
0.98	KA	=	0.98	uM
0.018	KA	=	0.018	uM
0.015	KA	=	0.015	uM
0.009	KA	=	0.009	uM
32.8	KA	=	32.8	uM

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: CHEMBL3772432

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: 2016
Volume: 26
Issue: 5
First Page: 1381
Last Page: 1385
DOI: 10.1016/j.bmcl.2016.01.078

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
29.3	KA	=	29.3	uM
0.72	KA	=	0.72	uM
6.12	KA	=	6.12	uM
7.3	KA	=	7.3	uM
15.7	KA	=	15.7	uM
34.1	KA	=	34.1	uM
10.1	KA	=	10.1	uM
12.5	KA	=	12.5	uM
8.31	KA	=	8.31	uM
18.1	KA	=	18.1	uM
10.7	KA	=	10.7	uM
13.7	KA	=	13.7	uM
0.81	KA	=	0.81	uM
5.82	KA	=	5.82	uM
13.4	KA	=	13.4	uM
25.1	KA	=	25.1	uM

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

来源：ChEMBL 靶标：Carbonic anhydrase 1

External ID: CHEMBL3870983

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: 2017
Volume: 27
Issue: 1
First Page: 77
Last Page: 80
DOI: 10.1016/j.bmcl.2016.11.027

Target ChEMBL ID: CHEMBL261
ChEMBL Target Name: Carbonic anhydrase I
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
0.03	KA	=	0.03	uM
0.09	KA	=	0.09	uM
26	KA	=	26	uM
13	KA	=	13	uM
0.02	KA	=	0.02	uM
0.07	KA	=	0.07	uM
44	KA	=	44	uM
41	KA	=	41	uM
3.1	KA	=	3.1	uM
0.09	KA	=	0.09	uM
86	KA	=	86	uM
4.9	KA	=	4.9	uM
7.4	KA	=	7.4	uM
0.14	KA	=	0.14	uM
0.24	KA	=	0.24	uM
	KA				Not Determined

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: CHEMBL3870990

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2017
Volume: 27
Issue: 1
First Page: 77
Last Page: 80
DOI: 10.1016/j.bmcl.2016.11.027

Standard Type	Standard Relation	Standard Value	Standard Units
Kcat	=	1.62	10'6/s
Kcat	=	3.13	10'6/s
Kcat	=	1.51	10'6/s
Kcat	=	6.91	10'5/s
Kcat	=	2.92	10'6/s
Kcat	=	8.61	10'5/s
Kcat	=	2.51	10'6/s
Kcat	=	1.38	10'6/s
Kcat	=	9.82	10'5/s
Kcat	=	1.15	10'6/s
Kcat	=	2.44	10'6/s
Kcat	=	2.31	10'6/s
Kcat	=	2.16	10'6/s
Kcat	=	1.49	10'6/s
Kcat	=	1.02	10'6/s
Kcat	=	2.96	10'6/s
Kcat	=	3.1	10'6/s
Kcat	=	3.45	10'6/s
Kcat	=	5.8	10'5/s

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

来源：ChEMBL 靶标：Voltage-dependent calcium channel subunit alpha-2/delta-1

External ID: CHEMBL859414

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: 2006
Volume: 16
Issue: 5
First Page: 1138
Last Page: 1141
DOI: 10.1016/j.bmcl.2005.11.108

Target ChEMBL ID: CHEMBL4676
ChEMBL Target Name: Voltage-gated calcium channel alpha2/delta subunit 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
0.12023	Ki	=	120.23	nM
1.86209	Ki	=	1862.09	nM
20	Ki	=	20000	nM
0.06	Ki	=	60	nM
0.06026	Ki	=	60.26	nM
0.18	Ki	=	180	nM
0.18197	Ki	=	181.97	nM
30	Ki	=	30000	nM
30.1995	Ki	=	30199.52	nM
0.09	Ki	=	90	nM
0.08913	Ki	=	89.13	nM
100	Ki	>	100000	nM
5.4	Ki	=	5400	nM
5.37032	Ki	=	5370.32	nM
0.031	Ki	=	31	nM
0.0309	Ki	=	30.9	nM
0.12	Ki	=	120	nM
0.10965	Ki	=	109.65	nM
0.1	Ki	=	100	nM
0.10471	Ki	=	104.71	nM

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

来源：ChEMBL 靶标：E3 ubiquitin-protein ligase XIAP

External ID: CHEMBL4273105

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: Eur J Med Chem
Year: 2018
Volume: 156
First Page: 461
Last Page: 478
DOI: 10.1016/j.ejmech.2018.07.002

Target ChEMBL ID: CHEMBL4198
ChEMBL Target Name: Inhibitor of apoptosis protein 3
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
9.81	IC50	=	9810	nM
8.66	IC50	=	8660	nM
14.1	IC50	=	14100	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase

External ID: CHEMBL1072786

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2010
Volume: 18
Issue: 3
First Page: 1034
Last Page: 1037
DOI: 10.1016/j.bmc.2009.12.058

Target ChEMBL ID: CHEMBL1697676
ChEMBL Target Name: Carbonic anhydrase 2
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
45	KA	=	45	uM
47	KA	=	47	uM
46.3	KA	=	46.3	uM
32.8	KA	=	32.8	uM
29.5	KA	=	29.5	uM
44.1	KA	=	44.1	uM
28.7	KA	=	28.7	uM
42.1	KA	=	42.1	uM
43.3	KA	=	43.3	uM
47.2	KA	=	47.2	uM
45.2	KA	=	45.2	uM
35.1	KA	=	35.1	uM
44.9	KA	=	44.9	uM
40.1	KA	=	40.1	uM
30.4	KA	=	30.4	uM

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

来源：ChEMBL 靶标：Carbonic anhydrase

External ID: CHEMBL1072783

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: 2010
Volume: 18
Issue: 3
First Page: 1034
Last Page: 1037
DOI: 10.1016/j.bmc.2009.12.058

Target ChEMBL ID: CHEMBL5337
ChEMBL Target Name: Carbonic anhydrase
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
24.1	KA	=	24.1	uM
29.1	KA	=	29.1	uM
30.2	KA	=	30.2	uM
13.2	KA	=	13.2	uM
46.1	KA	=	46.1	uM
15.5	KA	=	15.5	uM
19.2	KA	=	19.2	uM
43	KA	=	43	uM
0.96	KA	=	0.96	uM
19.5	KA	=	19.5	uM
8.4	KA	=	8.4	uM
2.5	KA	=	2.5	uM
17.3	KA	=	17.3	uM
25.4	KA	=	25.4	uM
23.7	KA	=	23.7	uM

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

来源：ChEMBL 靶标：Large neutral amino acids transporter small subunit 1

External ID: CHEMBL1119375

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: 12
First Page: 3688
Last Page: 3691
DOI: 10.1016/j.bmcl.2010.04.086

Target ChEMBL ID: CHEMBL4149
ChEMBL Target Name: L-type amino acid transporter 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
	Inhibition			%	Dose-dependent effect
55	Ki	=	55000	nM
	Inhibition			%	Dose-dependent effect
8.5	Ki	=	8500	nM
	Inhibition			%	Dose-dependent effect
0.079	Ki	=	79	nM
	Inhibition			%	Dose-dependent effect
26	Ki	=	26000	nM
	Inhibition			%	Dose-dependent effect
2.1	Ki	=	2100	nM

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

来源：ChEMBL 靶标：Oryza sativa

External ID: CHEMBL3076257

Protocol: N/A

Comment: Journal: Biosci Biotechnol Biochem
Year: 2000
Volume: 64
Issue: 3
First Page: 577
Last Page: 583
DOI: 10.1271/bbb.64.577

Target ChEMBL ID: CHEMBL613061
ChEMBL Target Name: Oryza sativa
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Activity Comment
Activity	Not Active
Activity	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：Large neutral amino acids transporter small subunit 1

External ID: CHEMBL4386801

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2019
Volume: 29
Issue: 16
First Page: 2254
Last Page: 2258
DOI: 10.1016/j.bmcl.2019.06.033

Target ChEMBL ID: CHEMBL4459
ChEMBL Target Name: L-type amino acid transporter 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	Data Validity Comment
190	IC50	=	190000	nM		Outside typical range
170	IC50	=	170000	nM		Outside typical range
100	IC50	=	100000	nM
69	IC50	=	69000	nM
160	IC50	=	160000	nM		Outside typical range
1000	IC50	>	1000000	nM		Outside typical range
	IC50				Not Determined
160	IC50	=	160000	nM		Outside typical range
	IC50				Not Determined
1000	IC50	>	1000000	nM		Outside typical range

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

来源：ChEMBL 靶标：Large neutral amino acids transporter small subunit 1

External ID: CHEMBL4386802

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2019
Volume: 29
Issue: 16
First Page: 2254
Last Page: 2258
DOI: 10.1016/j.bmcl.2019.06.033

Target ChEMBL ID: CHEMBL4459
ChEMBL Target Name: L-type amino acid transporter 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

Standard Type	Standard Relation	Standard Value	Standard Units
Activity	=	2.7	fmol/min

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

来源：ChEMBL 靶标：Large neutral amino acids transporter small subunit 1

External ID: CHEMBL4234829

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: 2018
Volume: 61
Issue: 16
First Page: 7358
Last Page: 7373
DOI: 10.1021/acs.jmedchem.8b01007

Target ChEMBL ID: CHEMBL4459
ChEMBL Target Name: L-type amino acid transporter 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	Data Validity Comment
68	IC50	=	68000	nM
69	IC50	=	69000	nM
85	IC50	=	85000	nM
160	IC50	=	160000	nM	Outside typical range
6.6	IC50	=	6600	nM
380	IC50	=	380000	nM	Outside typical range
460	IC50	=	460000	nM	Outside typical range
200	IC50	=	200000	nM	Outside typical range
260	IC50	=	260000	nM	Outside typical range
46	IC50	=	46000	nM
380	IC50	=	380000	nM	Outside typical range
220	IC50	=	220000	nM	Outside typical range
50000	IC50	>	50000000	nM	Outside typical range
130	IC50	=	130000	nM	Outside typical range
190	IC50	=	190000	nM	Outside typical range
140	IC50	=	140000	nM	Outside typical range
120	IC50	=	120000	nM	Outside typical range
7.3	IC50	=	7300	nM
36	IC50	=	36000	nM
130	IC50	=	130000	nM	Outside typical range

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

来源：ChEMBL 靶标：Homo sapiens

External ID: CHEMBL701669

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1987
Volume: 30
Issue: 11
First Page: 1973
Last Page: 1977
DOI: 10.1021/jm00394a007

Target ChEMBL ID: CHEMBL372
ChEMBL Target Name: Homo sapiens
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
Activity	=	1.073
Activity	=	1.048

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

来源：ChEMBL 靶标：Homo sapiens

External ID: CHEMBL701672

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1987
Volume: 30
Issue: 11
First Page: 1973
Last Page: 1977
DOI: 10.1021/jm00394a007

Target ChEMBL ID: CHEMBL372
ChEMBL Target Name: Homo sapiens
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
Activity	=	1.234
Activity	=	1.178
Activity	=	1.299
Activity	=	1.21
Activity	=	1.297

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

来源：ChEMBL 靶标：Homo sapiens

External ID: CHEMBL701671

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1987
Volume: 30
Issue: 11
First Page: 1973
Last Page: 1977
DOI: 10.1021/jm00394a007

Target ChEMBL ID: CHEMBL372
ChEMBL Target Name: Homo sapiens
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
Activity	=	1.093

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

来源：ChEMBL 靶标：Homo sapiens

External ID: CHEMBL701674

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1987
Volume: 30
Issue: 11
First Page: 1973
Last Page: 1977
DOI: 10.1021/jm00394a007

Target ChEMBL ID: CHEMBL372
ChEMBL Target Name: Homo sapiens
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
Activity	=	1.04
Activity	=	1.036
Activity	=	1.052

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

来源：ChEMBL 靶标：Large neutral amino acids transporter small subunit 1

External ID: CHEMBL4234831

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2018
Volume: 61
Issue: 16
First Page: 7358
Last Page: 7373
DOI: 10.1021/acs.jmedchem.8b01007

Target ChEMBL ID: CHEMBL4459
ChEMBL Target Name: L-type amino acid transporter 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

Standard Type	Standard Relation	Standard Value	Standard Units
Activity	=	33	%
Activity	=	27	%
Activity	=	140	%
Activity	=	29	%
Activity	=	89	%
Activity	=	100	%
Activity	=	96	%
Activity	=	100	%
Activity	=	120	%
Activity	=	59	%
Activity	=	29	%
Activity	=	81	%
Activity	=	78	%
Activity	=	120	%
Activity	=	130	%
Activity	=	96	%
Activity	=	28	%
Activity	=	27	%
Activity	=	85	%
Activity	=	70	%

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

来源：ChEMBL 靶标：Large neutral amino acids transporter small subunit 1

External ID: CHEMBL4234830

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2018
Volume: 61
Issue: 16
First Page: 7358
Last Page: 7373
DOI: 10.1021/acs.jmedchem.8b01007

Target ChEMBL ID: CHEMBL4459
ChEMBL Target Name: L-type amino acid transporter 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

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	=	-2.1	%
Inhibition	=	4.2	%
Inhibition	=	92	%
Inhibition	=	33	%
Inhibition	=	43	%
Inhibition	=	68	%
Inhibition	=	85	%
Inhibition	=	73	%
Inhibition	=	79	%
Inhibition	=	98	%
Inhibition	=	29	%
Inhibition	=	33	%
Inhibition	=	32	%
Inhibition	=	42	%
Inhibition	=	74	%
Inhibition	=	49	%
Inhibition	=	-2.4	%
Inhibition	=	35	%
Inhibition	=	67	%
Inhibition	=	86	%

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

来源：ChEMBL 靶标：Carbonic anhydrase 1

External ID: CHEMBL4233789

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: 2018
Volume: 26
Issue: 14
First Page: 4187
Last Page: 4190
DOI: 10.1016/j.bmc.2018.07.011

Target ChEMBL ID: CHEMBL261
ChEMBL Target Name: Carbonic anhydrase I
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
5.2	KA	=	5.2	uM
0.03	KA	=	0.03	uM
0.09	KA	=	0.09	uM
26	KA	=	26	uM
13	KA	=	13	uM
0.02	KA	=	0.02	uM
0.07	KA	=	0.07	uM
44	KA	=	44	uM
100	KA	>	100	uM
11.3	KA	=	11.3	uM
41	KA	=	41	uM
3.1	KA	=	3.1	uM
10.7	KA	=	10.7	uM
0.09	KA	=	0.09	uM
86	KA	=	86	uM
4.9	KA	=	4.9	uM
7.4	KA	=	7.4	uM
0.19	KA	=	0.19	uM
0.24	KA	=	0.24	uM
6.43	KA	=	6.43	uM

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

来源：ChEMBL 靶标：Intestinal-type alkaline phosphatase

External ID: CHEMBL3404592

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: 2015
Volume: 23
Issue: 10
First Page: 2435
Last Page: 2444
DOI: 10.1016/j.bmc.2015.03.054

Target ChEMBL ID: CHEMBL5695
ChEMBL Target Name: Intestinal alkaline phosphatase
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
9.15	IC50	=	9150	nM
1.35	IC50	=	1350	nM
2.96	IC50	=	2960	nM
4.45	IC50	=	4450	nM
0.429	IC50	=	429	nM
5.91	IC50	=	5910	nM
1.18	IC50	=	1180	nM
6.73	IC50	=	6730	nM
9.75	IC50	=	9750	nM
0.14	IC50	=	140	nM
8.27	IC50	=	8270	nM
11.7	IC50	=	11700	nM
1.27	IC50	=	1270	nM
30.1	IC50	=	30100	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: CHEMBL4233791

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: 2018
Volume: 26
Issue: 14
First Page: 4187
Last Page: 4190
DOI: 10.1016/j.bmc.2018.07.011

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.3	KA	=	0.3	uM
8.21	KA	=	8.21	uM
4.89	KA	=	4.89	uM
0.23	KA	=	0.23	uM
0.012	KA	=	0.012	uM
8.05	KA	=	8.05	uM
9.16	KA	=	9.16	uM
4.02	KA	=	4.02	uM
2.51	KA	=	2.51	uM
4.76	KA	=	4.76	uM
6.18	KA	=	6.18	uM
1.64	KA	=	1.64	uM
0.082	KA	=	0.082	uM
4.13	KA	=	4.13	uM
3.95	KA	=	3.95	uM
5.47	KA	=	5.47	uM
0.009	KA	=	0.009	uM
6.95	KA	=	6.95	uM
15.9	KA	=	15.9	uM
12.9	KA	=	12.9	uM

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

来源：ChEMBL 靶标：Intestinal-type alkaline phosphatase

External ID: CHEMBL4003043

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: Eur J Med Chem
Year: 2017
Volume: 126
First Page: 408
Last Page: 420
DOI: 10.1016/j.ejmech.2016.11.036

Target ChEMBL ID: CHEMBL5695
ChEMBL Target Name: Intestinal alkaline phosphatase
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
12.1	IC50	=	12100	nM

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

来源：ChEMBL 靶标：Pyruvate kinase PKM

External ID: CHEMBL5531293

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: 2024
Volume: 67
Issue: 5
First Page: 3339
Last Page: 3357
DOI: 10.1021/acs.jmedchem.3c01512

Target ChEMBL ID: CHEMBL1075189
ChEMBL Target Name: Pyruvate kinase PKM
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
0.045	IC50	=	45	nM
1.9	IC50	=	1900	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 2

External ID: CHEMBL4233790

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: 2018
Volume: 26
Issue: 14
First Page: 4187
Last Page: 4190
DOI: 10.1016/j.bmc.2018.07.011

Target ChEMBL ID: CHEMBL205
ChEMBL Target Name: Carbonic anhydrase II
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
100	KA	>	100	uM
10.9	KA	=	10.9	uM
96	KA	=	96	uM
34	KA	=	34	uM
15	KA	=	15	uM
0.011	KA	=	0.011	uM
0.013	KA	=	0.013	uM
27	KA	=	27	uM
50	KA	>	50	uM
100	KA	>	100	uM
12	KA	=	12	uM
11.4	KA	=	11.4	uM
100	KA	>	100	uM
43	KA	=	43	uM
0.035	KA	=	0.035	uM
7.8	KA	=	7.8	uM
2.3	KA	=	2.3	uM
0.94	KA	=	0.94	uM
0.15	KA	=	0.15	uM
100	KA	>	100	uM

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

来源：ChEMBL 靶标：General amino-acid permease GAP1

External ID: CHEMBL1228080

Protocol: N/A

Comment: Journal: Nat. Chem. Biol.
Year: 2009
Volume: 5
Issue: 1
First Page: 45
Last Page: 52
DOI: 10.1038/nchembio.132

Target ChEMBL ID: CHEMBL3308953
ChEMBL Target Name: General amino-acid permease GAP1
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	Activity Comment
Activity	Not Active
Activity	Active
Activity	Active
Activity	Not Active
Activity	Active
Activity	Active
Activity	Not Active
Activity	Active
Activity	Active
Activity	Active
Activity	Active
Activity	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：Carbonic anhydrase-like protein, putative

External ID: CHEMBL4233792

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: 2018
Volume: 26
Issue: 14
First Page: 4187
Last Page: 4190
DOI: 10.1016/j.bmc.2018.07.011

Target ChEMBL ID: CHEMBL4295601
ChEMBL Target Name: Carbonic anhydrase-like protein, putative
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
18.7	KA	=	18.7	uM
11.3	KA	=	11.3	uM
100	KA	>	100	uM
100	KA	>	100	uM
100	KA	>	100	uM
4.92	KA	=	4.92	uM
12.1	KA	=	12.1	uM
2.54	KA	=	2.54	uM
2.85	KA	=	2.85	uM
100	KA	>	100	uM
1.79	KA	=	1.79	uM
0.83	KA	=	0.83	uM
100	KA	>	100	uM
7.54	KA	=	7.54	uM
6.39	KA	=	6.39	uM
0.38	KA	=	0.38	uM
100	KA	>	100	uM
0.14	KA	=	0.14	uM
0.75	KA	=	0.75	uM
100	KA	>	100	uM

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

来源：ChEMBL 靶标：Carbonic anhydrase 2

External ID: CHEMBL653174

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2003
Volume: 13
Issue: 16
First Page: 2765
Last Page: 2768
DOI: 10.1016/s0960-894x(03)00507-9

Target ChEMBL ID: CHEMBL205
ChEMBL Target Name: Carbonic anhydrase II
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
Activity	=	210	%

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

来源：ChEMBL 靶标：Carbonic anhydrase 5A, mitochondrial

External ID: CHEMBL885803

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: 2007
Volume: 17
Issue: 5
First Page: 1336
Last Page: 1340
DOI: 10.1016/j.bmcl.2006.11.075

Target ChEMBL ID: CHEMBL4789
ChEMBL Target Name: Carbonic anhydrase VA
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
1.34	KA	=	1.34	uM
23.56	KA	=	23.56	uM
7.62	KA	=	7.62	uM
2.45	KA	=	2.45	uM
9.81	KA	=	9.81	uM
1.13	KA	=	1.13	uM
1.24	KA	=	1.24	uM
0.036	KA	=	0.036	uM
0.12	KA	=	0.12	uM
4.63	KA	=	4.63	uM
4.59	KA	=	4.59	uM
6.04	KA	=	6.04	uM
0.089	KA	=	0.089	uM
2.76	KA	=	2.76	uM

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

来源：ChEMBL 靶标：Carbonic anhydrase 5B, mitochondrial

External ID: CHEMBL885804

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: 2007
Volume: 17
Issue: 5
First Page: 1336
Last Page: 1340
DOI: 10.1016/j.bmcl.2006.11.075

Target ChEMBL ID: CHEMBL3969
ChEMBL Target Name: Carbonic anhydrase VB
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
0.97	KA	=	0.97	uM
0.24	KA	=	0.24	uM
0.094	KA	=	0.094	uM
0.044	KA	=	0.044	uM
10.45	KA	=	10.45	uM
0.89	KA	=	0.89	uM
1.35	KA	=	1.35	uM
0.063	KA	=	0.063	uM
4.38	KA	=	4.38	uM
0.072	KA	=	0.072	uM
3.71	KA	=	3.71	uM
0.91	KA	=	0.91	uM
1.15	KA	=	1.15	uM
2.17	KA	=	2.17	uM

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: CHEMBL1017973

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2009
Volume: 19
Issue: 6
First Page: 1662
Last Page: 1665
DOI: 10.1016/j.bmcl.2009.01.105

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
69	Ka	=	69	uM
18.7	Ka	=	18.7	uM
40	Ka	=	40	uM
11.5	Ka	=	11.5	uM
10.5	Ka	=	10.5	uM
70	Ka	=	70	uM
16.9	Ka	=	16.9	uM
41	Ka	=	41	uM
11.4	Ka	=	11.4	uM
57	Ka	=	57	uM
10.3	Ka	=	10.3	uM
15.6	Ka	=	15.6	uM
13.8	Ka	=	13.8	uM
18.5	Ka	=	18.5	uM
89	Ka	=	89	uM

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

来源：ChEMBL 靶标：Lipopolysaccharide (LPS)

External ID: CHEMBL2317810

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2013
Volume: 56
Issue: 3
First Page: 924
Last Page: 939
DOI: 10.1021/jm301407k

Target ChEMBL ID: CHEMBL3580508
ChEMBL Target Name: Lipopolysaccharide (LPS)
ChEMBL Target Type: MACROMOLECULE - Target is a biological macromolecule (e.g., glycoproteins, hemozoin, hydroxyapatite)
Relationship Type: M - Molecular target other than protein assigned
Confidence: Target assigned is molecular non-protein target

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Inhibition	=	29	%
Inhibition	=	80	%
Inhibition				Active

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

来源：ChEMBL 靶标：Carbonic anhydrase

External ID: CHEMBL1017974

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: 6
First Page: 1662
Last Page: 1665
DOI: 10.1016/j.bmcl.2009.01.105

Target ChEMBL ID: CHEMBL5931
ChEMBL Target Name: Carbonic anhydrase
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
82	Ka	=	82	uM
16.2	Ka	=	16.2	uM
11.2	Ka	=	11.2	uM
0.95	Ka	=	0.95	uM
85	Ka	=	85	uM
86	Ka	=	86	uM
91	Ka	=	91	uM
90	Ka	=	90	uM
90	Ka	=	90	uM
85	Ka	=	85	uM
86	Ka	=	86	uM
89	Ka	=	89	uM
9.3	Ka	=	9.3	uM
10.2	Ka	=	10.2	uM
21.3	Ka	=	21.3	uM

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: CHEMBL695618

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1984
Volume: 27
Issue: 12
First Page: 1549
Last Page: 1559
DOI: 10.1021/jm00378a005

Standard Type	Standard Relation	Standard Value	Standard Units
Concentration	=	24.5	g dl-1

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

来源：ChEMBL 靶标：Carbonic anhydrase 2

External ID: CHEMBL1017972

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: 6
First Page: 1662
Last Page: 1665
DOI: 10.1016/j.bmcl.2009.01.105

Target ChEMBL ID: CHEMBL205
ChEMBL Target Name: Carbonic anhydrase II
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
10.9	Ka	=	10.9	uM
34	Ka	=	34	uM
15	Ka	=	15	uM
96	Ka	=	96	uM
0.011	Ka	=	0.011	uM
0.013	Ka	=	0.013	uM
27	Ka	=	27	uM
12	Ka	=	12	uM
11.4	Ka	=	11.4	uM
43	Ka	=	43	uM
0.035	Ka	=	0.035	uM
7.8	Ka	=	7.8	uM
2.3	Ka	=	2.3	uM
0.19	Ka	=	0.19	uM
0.15	Ka	=	0.15	uM

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: CHEMBL634599

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1984
Volume: 27
Issue: 8
First Page: 967
Last Page: 978
DOI: 10.1021/jm00374a006

Standard Type	Standard Relation	Standard Value
Solubility ratio	=	1.234
Solubility ratio	=	1.32
Solubility ratio	=	1.398
Solubility ratio	=	1.302
Solubility ratio	=	1.198
Solubility ratio	=	1.178
Solubility ratio	=	1.296
Solubility ratio	=	1.149
Solubility ratio	=	1.36
Solubility ratio	=	1.317
Solubility ratio	=	1.351
Solubility ratio	=	1.144
Solubility ratio	=	1.313
Solubility ratio	=	1.176
Solubility ratio	=	1.284
Solubility ratio	=	1.246
Solubility ratio	=	1.223
Solubility ratio	=	1.092
Solubility ratio	=	1.135
Solubility ratio	=	1.39

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: CHEMBL695623

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1984
Volume: 27
Issue: 12
First Page: 1549
Last Page: 1559
DOI: 10.1021/jm00378a005

Standard Type	Standard Relation	Standard Value	Standard Units
Control value	=	17.32	g dl-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: CHEMBL634600

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1984
Volume: 27
Issue: 8
First Page: 967
Last Page: 978
DOI: 10.1021/jm00374a006

Standard Type	Standard Relation	Standard Value	Activity Comment
Solubility ratio	=	1.04
Solubility ratio	=	1.083
Solubility ratio	=	1.059
Solubility ratio		1.018	Not Active
Solubility ratio	=	0.954
Solubility ratio	=	1.036
Solubility ratio	=	1.026
Solubility ratio	=	0.996
Solubility ratio	=	1.057
Solubility ratio	=	1.049
Solubility ratio	=	1.035
Solubility ratio	=	1.017
Solubility ratio	=	1.049
Solubility ratio	=	1.04
Solubility ratio	=	1.077
Solubility ratio	=	1.079
Solubility ratio	=	1.035
Solubility ratio	=	0.996
Solubility ratio	=	1.025
Solubility ratio	=	1.057

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: CHEMBL638394

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1983
Volume: 26
Issue: 4
First Page: 549
Last Page: 554
DOI: 10.1021/jm00358a017

Standard Type	Standard Relation	Standard Value
Solubility	=	1.048

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: CHEMBL638395

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1983
Volume: 26
Issue: 4
First Page: 549
Last Page: 554
DOI: 10.1021/jm00358a017

Standard Type	Standard Relation	Standard Value
Solubility	=	1.093

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: CHEMBL638396

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1983
Volume: 26
Issue: 4
First Page: 549
Last Page: 554
DOI: 10.1021/jm00358a017

Standard Type	Standard Relation	Standard Value
Solubility	=	1.178

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: CHEMBL638397

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1983
Volume: 26
Issue: 4
First Page: 549
Last Page: 554
DOI: 10.1021/jm00358a017

Standard Type	Standard Relation	Standard Value
Solubility	=	1.036

63-91-2 靶点实验数据