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

来源：ChEMBL 靶标：U2OS

External ID: CHEMBL5724701

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL615023
ChEMBL Target Name: U2OS
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units
autophagy induction	=	1.311	%
autophagy induction	=	2.21	%
autophagy induction	=	-1.399	%
autophagy induction	=	-21.98	%
autophagy induction	=	12.27	%
autophagy induction	=	3.055	%
autophagy induction	=	0.8075	%
autophagy induction	=	-5.198	%
autophagy induction	=	0.1217	%
autophagy induction	=	-4.73	%
autophagy induction	=	-6.08	%
autophagy induction	=	-12.76	%
autophagy induction	=	-15.06	%
autophagy induction	=	-6.645	%
autophagy induction	=	-7.125	%
autophagy induction	=	-16.28	%
autophagy induction	=	-9.31	%
autophagy induction	=	-9.369	%
autophagy induction	=	-11.21	%
autophagy induction	=	-4.989	%

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

来源：ChEMBL 靶标：Cyclin-dependent kinase 2

External ID: CHEMBL5062802

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL301
ChEMBL Target Name: Cyclin-dependent kinase 2
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: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Delta TM	=	0.1409	C	Thermal Shift Assay
Delta TM	=	-0.01457	C	Thermal Shift Assay
Delta TM	=	-0.19	C
Delta TM	=	1.16	C	Thermal Shift Assay
Delta TM	=	1.921	C	Thermal Shift Assay
Delta TM	=	-0.3406	C	Thermal Shift Assay
Delta TM	=	0.6	C	Thermal Shift Assay
Delta TM	=	-0.1127	C	Thermal Shift Assay
Delta TM	=	-1.169	C	Thermal Shift Assay
Delta TM	=	0.82	C
Delta TM	=	0.31	C	Thermal Shift Assay
Delta TM	=	-0.02	C	Thermal Shift Assay
Delta TM	=	0.46	C	Thermal Shift Assay
Delta TM	=	-1.475	C	Thermal Shift Assay
Delta TM	=	-0.6313	C	Thermal Shift Assay
Delta TM	=	0	C	Thermal Shift Assay
Delta TM	=	-0.6762	C	Thermal Shift Assay
Delta TM	=	1.46	C	Thermal Shift Assay
Delta TM	=	0.98	C	Thermal Shift Assay
Delta TM	=	0.83	C	Thermal Shift Assay

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

来源：ChEMBL 靶标：U2OS

External ID: CHEMBL5724700

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL615023
ChEMBL Target Name: U2OS
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units
autophagy induction	=	-2.464	%
autophagy induction	=	-2.287	%
autophagy induction	=	-1.179	%
autophagy induction	=	114.19	%
autophagy induction	=	-2.891	%
autophagy induction	=	-2.398	%
autophagy induction	=	-2.288	%
autophagy induction	=	114.25	%
autophagy induction	=	-6.232	%
autophagy induction	=	-4.153	%
autophagy induction	=	-3.872	%
autophagy induction	=	114.44	%
autophagy induction	=	-1.434	%
autophagy induction	=	-1.039	%
autophagy induction	=	-0.6288	%
autophagy induction	=	-0.1138	%
autophagy induction	=	-9.274	%
autophagy induction	=	-4.861	%
autophagy induction	=	-2.29	%
autophagy induction	=	-1.949	%

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

来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School 靶标：N/A

External ID: HMS1315

Protocol: Cybrid cells were washed with PBS, trypsinized, spun down at 300g for 5 minutes, and resuspended in 10 mLs of PBS. Cells were counted, and the appropriate amount of cells were added to a vial containing DMEM (No Glucose) + 2%FBS + 1% P/S + 10mM Galactose, DMEM (No Glucose) + 2%FBS + 1% P/S + 10mM Galactose + 0.3% DMSO, DMEM No Glucose + 2% FBS + 1% P/S + 10mM Galactose + 1uM I-BET GSK 525762A, or DMEM (No Glucose) + 2%FBS + 1% P/S + 10mM Galactose + 1.25mM Glucose. Cells were then seeded in a Corning 3570 384-well plate (40 ul/well,1500 cells/well). Two replicates were prepared as described at the same time per library plate.

100 nl of compound was added to each well via pin transfer immediately after seeding. After the addition of compound, cells were incubated for 72 hours at 37 degrees C with 5% CO2.

Following the 72 hour incubation period, the 384 well plates were centrifuged for 1 minute at 1000 rpm. The media was aspirated using an aspiration wand and fresh media DMEM only, was added to the cells (40uL/ well) using a well-mate. Fifteen-microliters of Cell Titer Glow substrate was then added to each well using the well-mate. The plates were gently vortexed for 10 seconds and then centrifuged for 1 minute at 1000 rpm. The plates were then immediately read on the Envision instrument and the luminescence was detected for each individual well.

Positive control (strong): Cells seeded in DMEM (No Glucose) + 2%FBS + 1% P/S + 10mM Galactose + 1.25mM Glucose
Positive control (weak): Cells seeded in DMEM No Glucose + 2% FBS + 1% P/S + 10mM Galactose + 1uM I-BET GSK 525762A
Negative control: Cells seeded in DMEM (No Glucose) + 2%FBS + 1% P/S + 10mM Galactose + 0.3% DMSO

Comment: Data analysis method and criteria for scoring active compounds:

Z-scores were calculated for both replicates separately using the plate average and standard deviation of experimental well luminescence (Z = (x - mu)/sigma). Compounds were considered active if both replicate Z-scores >= 1.8. Activity scores were determined by scaling replicate average Z-scores from 0 (activity score = 0) to 4 (activity score = 100), with activity score > 45 being considered active. Z-scores < 0 were set to activity score = 0; Z-scores > 4 were set to activity score = 100 (100% activity).

Luminescence_A	Luminescence_B	Z-score Rep A	Z-score Rep B
1508759	1941614	-0.29	-0.43
1741176	1927012	-0.01	-0.44
1976146	2487751	0.29	0.11
3470457	4045119	2.15	1.64
2449298	2866419	0.88	0.48
1563373	2388055	-0.23	0.01
1827211	2429927	0.1	0.05
235000	430356	-1.88	-1.91
1544315	2345114	-0.25	-0.03
1823928	2754670	0.1	0.37
1077652	2101177	-0.83	-0.27
1904653	2707288	0.2	0.33
3277991	3850403	1.91	1.45
1695129	2723755	-0.06	0.34
4013685	4742114	2.82	2.33
2450781	3348149	0.88	0.96
2531343	3071422	0.98	0.69
2294937	2898722	0.68	0.52
1650729	2422255	-0.12	0.05
1212559	1703208	-0.66	-0.66

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

来源：23265 靶标：

External ID: IucA Pilot Assay Tocris Library

Protocol: A solution containing 55.6 mM HEPES pH 7.5, 0.11% Tween 20, 16.7 mM MgCl2, 55.6 mM hydroxylamine, 55.6 microM ATP, 55.6 microM citrate, and 0.28 U/mL IPP was dispensed (45 microL) into clear polystyrene microplates (Corning, Inc.) using a BioTek MicroFlo dispenser.

Next, 40 nL of test compounds (10 mM in DMSO, 8 microM final concentration) were transferred from deep-well blocks to the reaction solution using a stainless-steel pin tool operated by a robotic workstation (JANUS, PerkinElmer, Waltham, MA). The IucA-catalyzed reaction was initiated by adding 5 microL of 3 microM IucA in 25 mM HEPES, 75 mM NaCl, and 0.1 mM TCEP at pH 7.5.

The reactions were allowed to proceed for 30 min at room temperature before being quenched by dispensing (microFill, BioTek) 13 microL of MG developing solution, containing 1.0 mg/mL MG oxalate, 1.5% (w/v) ammonium molybdate, 0.15% (v/v) Tween 20, and 4.7 N sulfuric acid. After allowing the assay color to develop/stabilize for 30 min, the absorbance at 620 nm was measured (EnVision 2103 Multilabel Microplate Reader, PerkinElmer).

Average positive controls from 24 wells with no test compound and average negative controls from 8 wells with no enzyme were calculated. Dynamic range was calculated by difference between Avg Pos Control and Avg Neg Control. Percent inhibition was calculated by the ratio of (Avg. Pos. Ctrl - Sample OD) to Dynamic Range.

Comment: Protein Target is
IucA

EMB09144
574 aa
G057_19877
Klebsiella pneumoniae hvKP1

Active compounds were defined by <80% activity at 8 microM screening concentration.

OD	%Activity	384ID
0.984	97.1319127496888	TO1A04
1.004	100.68831130342	TO1A06
1.06	110.646227253868	TO1A07
1.023	104.066889929465	TO1A08
1.025	104.422529784838	TO1A09
1.032	105.667269278644	TO1A10
1.019	103.355610218718	TO1A11
1.059	110.468407326181	TO1A14
1.049	108.690208049315	TO1A15
1.044	107.801108410883	TO1A16
1.047	108.334568193942	TO1A17
1.054	109.579307687748	TO1A18
1.137	124.338361685733	TO1A19
1.109	119.359403710509	TO1A20
1.089	115.803005156778	TO1A21
1.097	117.22556457827	TO1A22
0.989	98.0210123881216	TO1B03
0.982	96.7762728943157	TO1B04
0.992	98.5544721711813	TO1B05
1.016	102.822150435659	TO1B06

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

来源：ChEMBL 靶标：Fibroblast growth factor receptor 3

External ID: CHEMBL5064832

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL2742
ChEMBL Target Name: Fibroblast growth factor receptor 3
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 Comment
Delta TM	=	0.109	C	Thermal Shift Assay

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

来源：ChEMBL 靶标：Glycogen synthase kinase-3 beta

External ID: CHEMBL5065589

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL262
ChEMBL Target Name: Glycogen synthase kinase-3 beta
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: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Delta TM	=	5.443	C	Thermal Shift Assay
Delta TM	=	-0.3085	C	Thermal Shift Assay
Delta TM	=	-0.7	C
Delta TM	=	-0.03	C	Thermal Shift Assay
Delta TM	=	11.17	C	Thermal Shift Assay
Delta TM	=	-1.553	C	Thermal Shift Assay
Delta TM	=	-0.29	C	Thermal Shift Assay
Delta TM	=	-0.3615	C	Thermal Shift Assay
Delta TM	=	0.0664	C	Thermal Shift Assay
Delta TM	=	-0.66	C
Delta TM	=	-0.06	C	Thermal Shift Assay
Delta TM	=	-0.21	C	Thermal Shift Assay
Delta TM	=	-0.26	C	Thermal Shift Assay
Delta TM	=	-1.145	C	Thermal Shift Assay
Delta TM	=	-0.6697	C	Thermal Shift Assay
Delta TM	=	0	C	Thermal Shift Assay
Delta TM	=	-0.4876	C	Thermal Shift Assay
Delta TM	=	2.74	C	Thermal Shift Assay
Delta TM	=	0.22	C	Thermal Shift Assay
Delta TM	=	-0.06	C	Thermal Shift Assay

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

来源：ChEMBL 靶标：Tyrosine-protein kinase ABL1

External ID: CHEMBL5060015

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL1862
ChEMBL Target Name: Tyrosine-protein kinase ABL
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: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Delta TM	=	2.866	C	Thermal Shift Assay
Delta TM	=	-0.1161	C	Thermal Shift Assay
Delta TM	=	0.32	C
Delta TM	=	0.12	C	Thermal Shift Assay
Delta TM	=	1.321	C	Thermal Shift Assay
Delta TM	=	-0.3289	C	Thermal Shift Assay
Delta TM	=	0.97	C	Thermal Shift Assay
Delta TM	=	-0.00477	C	Thermal Shift Assay
Delta TM	=	0.8545	C	Thermal Shift Assay
Delta TM	=	0.25	C
Delta TM	=	0.05	C	Thermal Shift Assay
Delta TM	=	0.01	C	Thermal Shift Assay
Delta TM	=	0.57	C	Thermal Shift Assay
Delta TM	=	-0.2514	C	Thermal Shift Assay
Delta TM	=	-0.09405	C	Thermal Shift Assay
Delta TM	=	0.1211	C	Thermal Shift Assay
Delta TM	=	0.2152	C	Thermal Shift Assay
Delta TM	=	4.95	C	Thermal Shift Assay
Delta TM	=	0.78	C	Thermal Shift Assay
Delta TM	=	0.49	C	Thermal Shift Assay

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

来源：ChEMBL 靶标：N-formyl peptide receptor 2

External ID: CHEMBL5209826

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL4227
ChEMBL Target Name: Lipoxin A4 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

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
%Inhib (Mean)	=	20.59	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-3.14	%	Agonist %Max (Mean)
%Inhib (Mean)	=	14.37	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-3.69	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-16.6	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-2.48	%	Agonist %Max (Mean)
%Max (Mean)	=	1.81	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-36.4	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	-6.18	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-3.47	%	Agonist %Max (Mean)
%Inhib (Mean)	=	18.01	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-2.849	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-28.76	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-2.95	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-2.24	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	61.06	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-2.41	%	Agonist %Max (Mean)
%Inhib (Mean)	=	35.08	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-1.569	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-26.45	%	Antagonist %Inhib (Mean)

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

来源：ChEMBL 靶标：Glucagon-like peptide 1 receptor

External ID: CHEMBL5209829

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL1784
ChEMBL Target Name: Glucagon-like peptide 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

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
%Max (Mean)	=	-0.52	%	Agonist %Max (Mean)
%Inhib (Mean)	=	1.9	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	46.53	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	0.81	%	Agonist %Max (Mean)
%Max (Mean)	=	0	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-17.37	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-0.31	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-42.05	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	-9.7	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	0.12	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-9.08	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-3.168	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-39.97	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-0.14	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-34.58	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	56.23	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	0	%	Agonist %Max (Mean)
%Inhib (Mean)	=	66.71	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-0.9215	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-18.07	%	Antagonist %Inhib (Mean)

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

来源：ChEMBL 靶标：Metabotropic glutamate receptor 4

External ID: CHEMBL4037495

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: 5
First Page: 1969
Last Page: 1989
DOI: 10.1021/acs.jmedchem.7b01438

Target ChEMBL ID: CHEMBL2736
ChEMBL Target Name: Metabotropic glutamate receptor 4
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
6.4	EC50	=	6400	nM
2.2	EC50	=	2200	nM
0.15	EC50	=	150	nM
0.38	EC50	=	380	nM
1.6	EC50	=	1600	nM

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

来源：ChEMBL 靶标：Sodium-dependent serotonin transporter

External ID: CHEMBL5442191

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Target ChEMBL ID: CHEMBL228
ChEMBL Target Name: Serotonin transporter
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: EUbOPEN Chemogenomic Library

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
4.37623	Ki	=	4376.23	nM
0.0295	Ki	=	29.5	nM
0.21016	Ki	=	210.16	nM
0.20879	Ki	=	208.79	nM
7.61202	Ki	=	7612.02	nM
0.2942	Ki	=	294.2	nM
10	Ki	>	10000	nM
0.86209	Ki	=	862.09	nM
0.51719	Ki	=	517.19	nM
0.30388	Ki	=	303.88	nM
0.99529	Ki	=	995.29	nM
10	Ki	>	10000	nM
0.77002	Ki	=	770.02	nM
10	Ki	>	10000	nM
0.17527	Ki	=	175.27	nM
0.78515	Ki	=	785.15	nM
10	Ki	>	10000	nM
4.705E-4	Ki	=	0.4705	nM
1.10027	Ki	=	1100.27	nM
0.06555	Ki	=	65.55	nM

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

来源：ChEMBL 靶标：Free fatty acid receptor 4

External ID: CHEMBL5209823

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL5339
ChEMBL Target Name: G-protein coupled receptor 120
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: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
%Max (Mean)	=	-1.859	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-35.14	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	0	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-32.8	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	-32.11	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-1.3	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-53.6	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-0.4171	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-68.27	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-3.637	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-35.64	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	1.5	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-347.9	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	-179.97	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-6.66	%	Agonist %Max (Mean)
%Inhib (Mean)	=	69.11	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	-41.58	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-1.8	%	Agonist %Max (Mean)
%Inhib (Mean)	=	0.7	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	29.29	%	Antagonist %Inhib (Mean)

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

来源：ChEMBL 靶标：Metabotropic glutamate receptor 8

External ID: CHEMBL4037493

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: 5
First Page: 1969
Last Page: 1989
DOI: 10.1021/acs.jmedchem.7b01438

Target ChEMBL ID: CHEMBL3228
ChEMBL Target Name: Metabotropic glutamate receptor 8
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
7.8	EC50	=	7800	nM
66	EC50	=	66000	nM
0.3	EC50	=	300	nM
42	EC50	=	42000	nM
5.2	EC50	=	5200	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: CHEMBL4037502

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2018
Volume: 61
Issue: 5
First Page: 1969
Last Page: 1989
DOI: 10.1021/acs.jmedchem.7b01438

Standard Type	Standard Relation	Standard Value
Ratio EC50	=	2.5
Ratio EC50	=	3
Ratio EC50	=	0.012
Ratio EC50	=	30
Ratio EC50	=	2.4

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: CHEMBL4303805

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	Data Validity Comment
Inhibition	=	-11.52	%	Outside typical range
Inhibition	=	5.09	%
Inhibition	=	-1.71	%
Inhibition	=	3.69	%
Inhibition	=	22.47	%
Inhibition	=	8.51	%
Inhibition	=	-6.86	%
Inhibition	=	-6.18	%
Inhibition	=	-2.07	%
Inhibition	=	3.91	%
Inhibition	=	-5.9	%
Inhibition	=	-2.45	%
Inhibition	=	-5.55	%
Inhibition	=	6.31	%
Inhibition	=	-1.08	%
Inhibition	=	12.7	%
Inhibition	=	0.37	%
Inhibition	=	8.88	%
Inhibition	=	11.63	%
Inhibition	=	-1.96	%

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

来源：ChEMBL 靶标：CX3C chemokine receptor 1

External ID: CHEMBL5209820

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL4843
ChEMBL Target Name: C-X3-C chemokine receptor 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

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
%Max (Mean)	=	-1.649	%	Agonist %Max (Mean)
%Inhib (Mean)	=	64.96	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	51.4	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	0.1251	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-25.26	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-1.78	%	Agonist %Max (Mean)
%Max (Mean)	=	-1.438	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-13.1	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-1.643	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-12	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	-43.54	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-2.23	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-36.45	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-0.3693	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-17.78	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-1.914	%	Agonist %Max (Mean)
%Inhib (Mean)	=	60.09	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	70.16	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-1.07	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-31.3	%	Antagonist %Inhib (Mean)

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: CHEMBL4037503

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2018
Volume: 61
Issue: 5
First Page: 1969
Last Page: 1989
DOI: 10.1021/acs.jmedchem.7b01438

Standard Type	Standard Relation	Standard Value
Ratio EC50	=	2.2
Ratio EC50	=	0.014
Ratio EC50	=	21.5
Ratio EC50	=	256

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

来源：ChEMBL 靶标：Sodium-dependent noradrenaline transporter

External ID: CHEMBL5442183

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Target ChEMBL ID: CHEMBL222
ChEMBL Target Name: Norepinephrine transporter
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: EUbOPEN Chemogenomic Library

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
3.22329	Ki	=	3223.29	nM
4.39946	Ki	=	4399.46	nM
1.47418	Ki	=	1474.18	nM
2.61005	Ki	=	2610.05	nM
2.85037	Ki	=	2850.37	nM
0.61845	Ki	=	618.45	nM
7.55266	Ki	=	7552.66	nM
0.38186	Ki	=	381.86	nM
2.53776	Ki	=	2537.76	nM
0.85724	Ki	=	857.24	nM
10	Ki	>	10000	nM
10	Ki	>	10000	nM
5.61565	Ki	=	5615.65	nM
0.76878	Ki	=	768.78	nM
1.67283	Ki	=	1672.83	nM
1.08742	Ki	=	1087.42	nM
0.73055	Ki	=	730.55	nM
1.45111	Ki	=	1451.11	nM
0.95115	Ki	=	951.15	nM
0.01548	Ki	=	15.48	nM

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

来源：ChEMBL 靶标：Metabotropic glutamate receptor 6

External ID: CHEMBL4037500

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: 5
First Page: 1969
Last Page: 1989
DOI: 10.1021/acs.jmedchem.7b01438

Target ChEMBL ID: CHEMBL4573
ChEMBL Target Name: Metabotropic glutamate receptor 6
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
3.2	EC50	=	3200	nM
4.2	EC50	=	4200	nM
6.3	EC50	=	6300	nM
4.5	EC50	=	4500	nM
68.4	EC50	=	68400	nM

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

来源：ChEMBL 靶标：Apelin receptor

External ID: CHEMBL5209814

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL1628481
ChEMBL Target Name: Apelin 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

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
%Inhib (Mean)	=	51.27	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-3.352	%	Agonist %Max (Mean)
%Inhib (Mean)	=	48.63	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	15.2	%	Agonist %Max (Mean)
%Max (Mean)	=	0.339	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-14.84	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-2.176	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-17.21	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	-3.54	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	1.328	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-25.88	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-1.284	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-44.48	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-2.987	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-2.87	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	77	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-3.532	%	Agonist %Max (Mean)
%Inhib (Mean)	=	77.31	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-0.986	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-19.81	%	Antagonist %Inhib (Mean)

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

来源：ChEMBL 靶标：Metabotropic glutamate receptor 7

External ID: CHEMBL4037501

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2018
Volume: 61
Issue: 5
First Page: 1969
Last Page: 1989
DOI: 10.1021/acs.jmedchem.7b01438

Target ChEMBL ID: CHEMBL3777
ChEMBL Target Name: Metabotropic glutamate receptor 7
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
101	EC50	=	101000	nM	Outside typical range
100	EC50	>	100000	nM
100	EC50	>	100000	nM
295	EC50	=	295000	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：C5a anaphylatoxin chemotactic receptor 1

External ID: CHEMBL5209817

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL2373
ChEMBL Target Name: C5a anaphylatoxin chemotactic 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

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
%Inhib (Mean)	=	41.88	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-6.354	%	Agonist %Max (Mean)
%Inhib (Mean)	=	57.31	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-2.321	%	Agonist %Max (Mean)
%Inhib (Mean)	=	17.1	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-1.91	%	Agonist %Max (Mean)
%Max (Mean)	=	-2.603	%	Agonist %Max (Mean)
%Inhib (Mean)	=	0.05788	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	-1.92	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-0.3276	%	Agonist %Max (Mean)
%Inhib (Mean)	=	51.77	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-2.185	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-53.58	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-4.451	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-15.51	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	63.75	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-0.4841	%	Agonist %Max (Mean)
%Inhib (Mean)	=	18.37	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-1.514	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-7.5	%	Antagonist %Inhib (Mean)

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

来源：ChEMBL 靶标：Metabotropic glutamate receptor 4

External ID: CHEMBL4037498

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: 5
First Page: 1969
Last Page: 1989
DOI: 10.1021/acs.jmedchem.7b01438

Target ChEMBL ID: CHEMBL2736
ChEMBL Target Name: Metabotropic glutamate receptor 4
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
0.9	EC50	=	900	nM
0.11	EC50	=	110	nM
6.4	EC50	=	6400	nM
7.7	EC50	=	7700	nM

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

来源：ChEMBL 靶标：Metabotropic glutamate receptor 8

External ID: CHEMBL4037499

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: 5
First Page: 1969
Last Page: 1989
DOI: 10.1021/acs.jmedchem.7b01438

Target ChEMBL ID: CHEMBL3228
ChEMBL Target Name: Metabotropic glutamate receptor 8
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
19.4	EC50	=	19400	nM
29.2	EC50	=	29200	nM
6.5	EC50	=	6500	nM
25	EC50	=	25000	nM

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

来源：ChEMBL 靶标：Type-1 angiotensin II receptor

External ID: CHEMBL5209811

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL227
ChEMBL Target Name: Type-1 angiotensin II 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

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
%Inhib (Mean)	=	52.25	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-3.364	%	Agonist %Max (Mean)
%Inhib (Mean)	=	55.1	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-0.3098	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-3.515	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	0.68	%	Agonist %Max (Mean)
%Max (Mean)	=	-1.646	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-16.52	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	5.94	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	9.93	%	Agonist %Max (Mean)
%Inhib (Mean)	=	18.15	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-4.71	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-29.3	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-1.695	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-9.202	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	0.3162	%	Agonist %Max (Mean)
%Inhib (Mean)	=	38.16	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	75.45	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-1.5	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-20.38	%	Antagonist %Inhib (Mean)

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

来源：ChEMBL 靶标：Peregrin

External ID: CHEMBL5062045

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL3132741
ChEMBL Target Name: Peregrin
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 Comment
Delta TM	=	-0.04334	C	Thermal Shift Assay

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

来源：ChEMBL 靶标：Beta-2 adrenergic receptor

External ID: CHEMBL5209808

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL210
ChEMBL Target Name: Beta-2 adrenergic 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

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
%Inhib (Mean)	=	58.93	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-4.19	%	Agonist %Max (Mean)
%Inhib (Mean)	=	65.7	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-0.47	%	Agonist %Max (Mean)
%Max (Mean)	=	-1.59	%	Agonist %Max (Mean)
%Inhib (Mean)	=	6.99	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-2.64	%	Agonist %Max (Mean)
%Inhib (Mean)	=	8.59	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	0.07	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-60.51	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	-68.38	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-2.115	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-39.37	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-2.53	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-0.41	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	72.72	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-0.99	%	Agonist %Max (Mean)
%Inhib (Mean)	=	62.59	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-0.9984	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-30.45	%	Antagonist %Inhib (Mean)

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

来源：ChEMBL 靶标：Adhesion G-protein coupled receptor F1

External ID: CHEMBL5209802

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL4523872
ChEMBL Target Name: Adhesion G-protein coupled receptor F1
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: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
%Inhib (Mean)	=	35.28	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	28.31	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-2.874	%	Agonist %Max (Mean)
%Max (Mean)	=	19.43	%	Agonist %Max (Mean)
%Max (Mean)	=	9.721	%	Agonist %Max (Mean)
%Inhib (Mean)	=	6.04	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	4.847	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-30.63	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	-35.08	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	-15.65	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-1.759	%	Agonist %Max (Mean)
%Max (Mean)	=	21.01	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-45.16	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	10.52	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-18.11	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	49.92	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	95.59	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-13.68	%	Agonist %Max (Mean)
%Max (Mean)	=	9.4	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-36.42	%	Antagonist %Inhib (Mean)

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

来源：ChEMBL 靶标：Alpha-2A adrenergic receptor

External ID: CHEMBL5209805

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL1867
ChEMBL Target Name: Alpha-2a adrenergic 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

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
%Max (Mean)	=	-4.6	%	Agonist %Max (Mean)
%Inhib (Mean)	=	48.8	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	26.05	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-1.89	%	Agonist %Max (Mean)
%Max (Mean)	=	0.4	%	Agonist %Max (Mean)
%Inhib (Mean)	=	4.5	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	8.6	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-3.8	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	-19.74	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	4.5	%	Agonist %Max (Mean)
%Inhib (Mean)	=	3.9	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-1.71	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-32.79	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	4.8	%	Agonist %Max (Mean)
%Inhib (Mean)	=	8	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	8.5	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-11.1	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	57.67	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-0.24	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-23.02	%	Antagonist %Inhib (Mean)

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

来源：ChEMBL 靶标：Muscarinic acetylcholine receptor M1

External ID: CHEMBL5442228

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL216
ChEMBL Target Name: Muscarinic acetylcholine receptor M1
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: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment	Data Validity Comment
Inhibition	=	-6.06	%	Inactive
Inhibition	=	-10.04	%	Inactive	Outside typical range
Inhibition	=	-7.47	%	Inactive
Inhibition	=	-8.77	%	Inactive
Inhibition	=	-21.47	%	Inactive	Outside typical range
Inhibition	=	5.19	%	Inactive
Inhibition	=	-9.03	%	Inactive
Inhibition	=	-11.74	%	Inactive	Outside typical range
Inhibition	=	18.47	%	Inactive
Inhibition	=	-10.78	%	Inactive	Outside typical range
Inhibition	=	-13.23	%	Inactive	Outside typical range
Inhibition	=	66.4	%	Active
Inhibition	=	13.16	%	Inactive
Inhibition	=	-11.75	%	Inactive	Outside typical range
Inhibition	=	-10.9	%	Inactive	Outside typical range
Inhibition	=	4.09	%	Inactive
Inhibition	=	20.75	%	Inactive
Inhibition	=	-14.78	%	Inactive	Outside typical range
Inhibition	=	-4.88	%	Inactive
Inhibition	=	-35.02	%	Inactive	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：Beta-2 adrenergic receptor

External ID: CHEMBL5442227

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL210
ChEMBL Target Name: Beta-2 adrenergic 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

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment	Data Validity Comment
Inhibition	=	-4.07	%	Inactive
Inhibition	=	-1.29	%	Inactive
Inhibition	=	-15.71	%	Inactive	Outside typical range
Inhibition	=	-17.06	%	Inactive	Outside typical range
Inhibition	=	-4.38	%	Inactive
Inhibition	=	4.31	%	Inactive
Inhibition	=	97.78	%	Active
Inhibition	=	100.23	%	Active
Inhibition	=	1.44	%	Inactive
Inhibition	=	-13.29	%	Inactive	Outside typical range
Inhibition	=	-11.07	%	Inactive	Outside typical range
Inhibition	=	10.44	%	Inactive
Inhibition	=	5.86	%	Inactive
Inhibition	=	34.2	%	Inactive
Inhibition	=	-7.15	%	Inactive
Inhibition	=	3.05	%	Inactive
Inhibition	=	99.01	%	Active
Inhibition	=	-6.03	%	Inactive
Inhibition	=	3.89	%	Inactive
Inhibition	=	-2.94	%	Inactive

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

来源：ChEMBL 靶标：Beta-1 adrenergic receptor

External ID: CHEMBL5442226

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL213
ChEMBL Target Name: Beta-1 adrenergic 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

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment	Data Validity Comment
Inhibition	=	18.51	%	Inactive
Inhibition	=	11.98	%	Inactive
Inhibition	=	-6.31	%	Inactive
Inhibition	=	-2.63	%	Inactive
Inhibition	=	-14.28	%	Inactive	Outside typical range
Inhibition	=	13.85	%	Inactive
Inhibition	=	95.96	%	Active
Inhibition	=	70.92	%	Active
Inhibition	=	18.96	%	Inactive
Inhibition	=	18.3	%	Inactive
Inhibition	=	16.99	%	Inactive
Inhibition	=	-1.95	%	Inactive
Inhibition	=	36.27	%	Inactive
Inhibition	=	37.02	%	Inactive
Inhibition	=	29.92	%	Inactive
Inhibition	=	-21.92	%	Inactive	Outside typical range
Inhibition	=	31.05	%	Inactive
Inhibition	=	-38.45	%	Inactive	Outside typical range
Inhibition	=	-12.31	%	Inactive	Outside typical range
Inhibition	=	26.6	%	Inactive

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

来源：ChEMBL 靶标：Alpha-2C adrenergic receptor

External ID: CHEMBL5442225

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL1916
ChEMBL Target Name: Alpha-2c adrenergic 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

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment	Data Validity Comment
Inhibition	=	-0.86	%	Inactive
Inhibition	=	-15.64	%	Inactive	Outside typical range
Inhibition	=	-5.48	%	Inactive
Inhibition	=	-11.77	%	Inactive	Outside typical range
Inhibition	=	12.31	%	Inactive
Inhibition	=	-0.17	%	Inactive
Inhibition	=	1.66	%	Inactive
Inhibition	=	1.35	%	Inactive
Inhibition	=	94.9	%	Active
Inhibition	=	12.02	%	Inactive
Inhibition	=	1.59	%	Inactive
Inhibition	=	37.95	%	Inactive
Inhibition	=	15.13	%	Inactive
Inhibition	=	66.67	%	Active
Inhibition	=	28.37	%	Inactive
Inhibition	=	25.36	%	Inactive
Inhibition	=	82.55	%	Active
Inhibition	=	-7.17	%	Inactive
Inhibition	=	-1.89	%	Inactive
Inhibition	=	4.08	%	Inactive

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

来源：ChEMBL 靶标：Alpha-2B adrenergic receptor

External ID: CHEMBL5442224

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL1942
ChEMBL Target Name: Alpha-2b adrenergic 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

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment	Data Validity Comment
Inhibition	=	-2.94	%	Inactive
Inhibition	=	11.47	%	Inactive
Inhibition	=	2.24	%	Inactive
Inhibition	=	-2.96	%	Inactive
Inhibition	=	7.07	%	Inactive
Inhibition	=	34.74	%	Inactive
Inhibition	=	-0.72	%	Inactive
Inhibition	=	-0.6	%	Inactive
Inhibition	=	83.96	%	Active
Inhibition	=	15.17	%	Inactive
Inhibition	=	3.23	%	Inactive
Inhibition	=	69.49	%	Active
Inhibition	=	-1.21	%	Inactive
Inhibition	=	53.01	%	Active
Inhibition	=	28.08	%	Inactive
Inhibition	=	9.01	%	Inactive
Inhibition	=	69.72	%	Active
Inhibition	=	-23.44	%	Inactive	Outside typical range
Inhibition	=	9.08	%	Inactive
Inhibition	=	-2.75	%	Inactive

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

来源：ChEMBL 靶标：Alpha-2A adrenergic receptor

External ID: CHEMBL5442223

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL1867
ChEMBL Target Name: Alpha-2a adrenergic 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

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment	Data Validity Comment
Inhibition	=	-44.43	%	Inactive	Outside typical range
Inhibition	=	8.96	%	Inactive
Inhibition	=	0.09	%	Inactive
Inhibition	=	4.57	%	Inactive
Inhibition	=	13.89	%	Inactive
Inhibition	=	11.2	%	Inactive
Inhibition	=	11.8	%	Inactive
Inhibition	=	29.02	%	Inactive
Inhibition	=	98.81	%	Active
Inhibition	=	13.99	%	Inactive
Inhibition	=	11.14	%	Inactive
Inhibition	=	72.99	%	Active
Inhibition	=	-7.52	%	Inactive
Inhibition	=	49.09	%	Inactive
Inhibition	=	6.44	%	Inactive
Inhibition	=	17.75	%	Inactive
Inhibition	=	84.59	%	Active
Inhibition	=	-16.61	%	Inactive	Outside typical range
Inhibition	=	13.41	%	Inactive
Inhibition	=	-22.55	%	Inactive	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：Alpha-1D adrenergic receptor

External ID: CHEMBL5442222

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL223
ChEMBL Target Name: Alpha-1d adrenergic 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

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment	Data Validity Comment
Inhibition	=	6.55	%	Inactive
Inhibition	=	-5.37	%	Inactive
Inhibition	=	-15.6	%	Inactive	Outside typical range
Inhibition	=	11.02	%	Inactive
Inhibition	=	-13.69	%	Inactive	Outside typical range
Inhibition	=	-0.46	%	Inactive
Inhibition	=	8.6	%	Inactive
Inhibition	=	13.64	%	Inactive
Inhibition	=	97.84	%	Active
Inhibition	=	19.52	%	Inactive
Inhibition	=	11.1	%	Inactive
Inhibition	=	66.33	%	Active
Inhibition	=	18.28	%	Inactive
Inhibition	=	12.09	%	Inactive
Inhibition	=	13.01	%	Inactive
Inhibition	=	-10.1	%	Inactive	Outside typical range
Inhibition	=	86.54	%	Active
Inhibition	=	-25.82	%	Inactive	Outside typical range
Inhibition	=	6.2	%	Inactive
Inhibition	=	-7.75	%	Inactive

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

来源：ChEMBL 靶标：Alpha-1B adrenergic receptor

External ID: CHEMBL5442221

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL232
ChEMBL Target Name: Alpha-1b adrenergic 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

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment	Data Validity Comment
Inhibition	=	13.44	%	Inactive
Inhibition	=	1.22	%	Inactive
Inhibition	=	-5.54	%	Inactive
Inhibition	=	-4.11	%	Inactive
Inhibition	=	-15.82	%	Inactive	Outside typical range
Inhibition	=	-6.37	%	Inactive
Inhibition	=	-6.31	%	Inactive
Inhibition	=	6.47	%	Inactive
Inhibition	=	95.88	%	Active
Inhibition	=	-3.95	%	Inactive
Inhibition	=	1.04	%	Inactive
Inhibition	=	16.35	%	Inactive
Inhibition	=	32.38	%	Inactive
Inhibition	=	2.3	%	Inactive
Inhibition	=	12.86	%	Inactive
Inhibition	=	10.19	%	Inactive
Inhibition	=	81.58	%	Active
Inhibition	=	-9.67	%	Inactive
Inhibition	=	-27.6	%	Inactive	Outside typical range
Inhibition	=	13.16	%	Inactive

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

来源：ChEMBL 靶标：Alpha-1A adrenergic receptor

External ID: CHEMBL5442220

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL229
ChEMBL Target Name: Alpha-1a adrenergic 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

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment	Data Validity Comment
Inhibition	=	-4	%	Inactive
Inhibition	=	-4.46	%	Inactive
Inhibition	=	11.36	%	Inactive
Inhibition	=	3.1	%	Inactive
Inhibition	=	-7.27	%	Inactive
Inhibition	=	2.69	%	Inactive
Inhibition	=	2.77	%	Inactive
Inhibition	=	32	%	Inactive
Inhibition	=	96.85	%	Active
Inhibition	=	8.06	%	Inactive
Inhibition	=	-7.95	%	Inactive
Inhibition	=	27.94	%	Inactive
Inhibition	=	17.7	%	Inactive
Inhibition	=	6.21	%	Inactive
Inhibition	=	1.19	%	Inactive
Inhibition	=	16.8	%	Inactive
Inhibition	=	90.69	%	Active
Inhibition	=	-9.2	%	Inactive
Inhibition	=	1.85	%	Inactive
Inhibition	=	-15.57	%	Inactive	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：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：Mitogen-activated protein kinase 1

External ID: CHEMBL5066690

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL4040
ChEMBL Target Name: MAP kinase ERK2
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 Comment
Delta TM	=	-0.1643	C	Thermal Shift Assay

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

来源：ChEMBL 靶标：Aurora kinase A

External ID: CHEMBL5067447

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL4722
ChEMBL Target Name: Serine/threonine-protein kinase Aurora-A
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: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Delta TM	=	0.05675	C	Thermal Shift Assay
Delta TM	=	0.06056	C	Thermal Shift Assay
Delta TM	=	-0.26	C
Delta TM	=	0.05	C	Thermal Shift Assay
Delta TM	=	0.2158	C	Thermal Shift Assay
Delta TM	=	0.1132	C	Thermal Shift Assay
Delta TM	=	-0.21	C	Thermal Shift Assay
Delta TM	=	0.07973	C	Thermal Shift Assay
Delta TM	=	0.3724	C	Thermal Shift Assay
Delta TM	=	-0.3	C
Delta TM	=	-0.04	C	Thermal Shift Assay
Delta TM	=	-0.08	C	Thermal Shift Assay
Delta TM	=	-0.49	C	Thermal Shift Assay
Delta TM	=	0.08515	C	Thermal Shift Assay
Delta TM	=	0.01057	C	Thermal Shift Assay
Delta TM	=	0	C	Thermal Shift Assay
Delta TM	=	0.1944	C	Thermal Shift Assay
Delta TM	=	2.51	C	Thermal Shift Assay
Delta TM	=	-0.01	C	Thermal Shift Assay
Delta TM	=	-0.24	C	Thermal Shift Assay

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

来源：ChEMBL 靶标：G-protein coupled receptor 35

External ID: CHEMBL5209835

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL1293267
ChEMBL Target Name: G-protein coupled receptor 35
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: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
%Max (Mean)	=	8.88	%	Agonist %Max (Mean)
%Inhib (Mean)	=	39.56	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	6.1	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-28.41	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	19.34	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-41.92	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	11.62	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-20.72	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	1.634	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-27.58	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	18.15	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-21.98	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-2.15	%	Agonist %Max (Mean)
%Inhib (Mean)	=	46.26	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	0.2834	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-13.78	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	2.683	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-23.32	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	15.06	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-44.17	%	Antagonist %Inhib (Mean)

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

来源：ChEMBL 靶标：Sphingosine 1-phosphate receptor 1

External ID: CHEMBL5209836

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL4333
ChEMBL Target Name: Sphingosine 1-phosphate receptor Edg-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

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
%Inhib (Mean)	=	28.93	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-2.018	%	Agonist %Max (Mean)
%Inhib (Mean)	=	47.4	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-2.59	%	Agonist %Max (Mean)
%Max (Mean)	=	78.05	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-9.8	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	9.97	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-17.5	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-3.032	%	Agonist %Max (Mean)
%Inhib (Mean)	=	19	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	-10.76	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-4.23	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-41.51	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-1.953	%	Agonist %Max (Mean)
%Inhib (Mean)	=	12.7	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	64.16	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	7.191	%	Agonist %Max (Mean)
%Inhib (Mean)	=	24.4	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-5.2	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-29.3	%	Antagonist %Inhib (Mean)

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

来源：ChEMBL 靶标：D(3) dopamine receptor

External ID: CHEMBL5442198

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Target ChEMBL ID: CHEMBL234
ChEMBL Target Name: Dopamine D3 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

Data Source: EUbOPEN Chemogenomic Library

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
1.61213	Ki	=	1612.13	nM
0.07155	Ki	=	71.55	nM
1.95839	Ki	=	1958.39	nM
0.20504	Ki	=	205.04	nM
0.007739	Ki	=	7.739	nM
0.03276	Ki	=	32.76	nM
0.64114	Ki	=	641.14	nM
2.03892	Ki	=	2038.92	nM
1.26037	Ki	=	1260.37	nM
0.5586	Ki	=	558.6	nM
0.91236	Ki	=	912.36	nM
0.76789	Ki	=	767.89	nM
1.12215	Ki	=	1122.15	nM
0.58244	Ki	=	582.44	nM
0.42472	Ki	=	424.72	nM
0.5807	Ki	=	580.7	nM
1.18978	Ki	=	1189.78	nM
0.71713	Ki	=	717.13	nM
0.31459	Ki	=	314.59	nM
0.1158	Ki	=	115.8	nM

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

来源：ChEMBL 靶标：Glucose-dependent insulinotropic receptor

External ID: CHEMBL5209832

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL5652
ChEMBL Target Name: Glucose-dependent insulinotropic 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

Data Source: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
%Inhib (Mean)	=	43.38	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	1.857	%	Agonist %Max (Mean)
%Inhib (Mean)	=	70.66	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-1.54	%	Agonist %Max (Mean)
%Max (Mean)	=	0.4373	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-5.458	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	0.9517	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-2.657	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	0.3828	%	Agonist %Max (Mean)
%Inhib (Mean)	=	31.76	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	-13.48	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-2.472	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-12.35	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-2.503	%	Agonist %Max (Mean)
%Inhib (Mean)	=	14.46	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-2.462	%	Agonist %Max (Mean)
%Inhib (Mean)	=	82.11	%	Antagonist %Inhib (Mean)
%Inhib (Mean)	=	79.17	%	Antagonist %Inhib (Mean)
%Max (Mean)	=	-1.276	%	Agonist %Max (Mean)
%Inhib (Mean)	=	-4.84	%	Antagonist %Inhib (Mean)

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

来源：ChEMBL 靶标：Translocator protein

External ID: CHEMBL5442260

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL5742
ChEMBL Target Name: Translocator protein
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: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment	Data Validity Comment
Inhibition	=	34.51	%	Inactive
Inhibition	=	-17.19	%	Inactive	Outside typical range
Inhibition	=	84.71	%	Active
Inhibition	=	36.95	%	Inactive
Inhibition	=	27.53	%	Inactive
Inhibition	=	59.06	%	Active
Inhibition	=	0.37	%	Inactive
Inhibition	=	38.45	%	Inactive
Inhibition	=	31.24	%	Inactive
Inhibition	=	-1.68	%	Inactive
Inhibition	=	30.18	%	Inactive
Inhibition	=	24.43	%	Inactive
Inhibition	=	98.51	%	Active
Inhibition	=	-0.39	%	Inactive
Inhibition	=	76.47	%	Active
Inhibition	=	20.72	%	Inactive
Inhibition	=	2.96	%	Inactive
Inhibition	=	8.35	%	Inactive
Inhibition	=	20.14	%	Inactive
Inhibition	=	53.91	%	Active

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

来源：ChEMBL 靶标：Sigma intracellular receptor 2

External ID: CHEMBL5442259

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL4105907
ChEMBL Target Name: Sigma intracellular receptor 2
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: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment	Data Validity Comment
Inhibition	=	3.25	%	Inactive
Inhibition	=	22.06	%	Inactive
Inhibition	=	-0.23	%	Inactive
Inhibition	=	-35.88	%	Inactive	Outside typical range
Inhibition	=	15.44	%	Inactive
Inhibition	=	8.74	%	Inactive
Inhibition	=	10.53	%	Inactive
Inhibition	=	97.54	%	Active
Inhibition	=	98.69	%	Active
Inhibition	=	-15.8	%	Inactive	Outside typical range
Inhibition	=	62.5	%	Active
Inhibition	=	95.44	%	Active
Inhibition	=	90.75	%	Active
Inhibition	=	12.31	%	Inactive
Inhibition	=	63.09	%	Active
Inhibition	=	46.71	%	Inactive
Inhibition	=	17.59	%	Inactive
Inhibition	=	-24.2	%	Inactive	Outside typical range
Inhibition	=	-5.25	%	Inactive
Inhibition	=	-19.3	%	Inactive	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：Sodium-dependent serotonin transporter

External ID: CHEMBL5442258

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL228
ChEMBL Target Name: Serotonin transporter
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: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment	Data Validity Comment
Inhibition	=	85.43	%	Active
Inhibition	=	-24.65	%	Inactive	Outside typical range
Inhibition	=	-9.18	%	Inactive
Inhibition	=	-27.85	%	Inactive	Outside typical range
Inhibition	=	-18	%	Inactive	Outside typical range
Inhibition	=	-8.05	%	Inactive
Inhibition	=	-10.45	%	Inactive	Outside typical range
Inhibition	=	48.82	%	Inactive
Inhibition	=	80.75	%	Active
Inhibition	=	-29.9	%	Inactive	Outside typical range
Inhibition	=	-10.09	%	Inactive	Outside typical range
Inhibition	=	41.03	%	Inactive
Inhibition	=	39.04	%	Inactive
Inhibition	=	-41.14	%	Inactive	Outside typical range
Inhibition	=	3.66	%	Inactive
Inhibition	=	13.68	%	Inactive
Inhibition	=	-32.76	%	Inactive	Outside typical range
Inhibition	=	-35.25	%	Inactive	Outside typical range
Inhibition	=	-37.33	%	Inactive	Outside typical range
Inhibition	=	26.5	%	Inactive

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

来源：ChEMBL 靶标：Peregrin

External ID: CHEMBL5061873

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL3132741
ChEMBL Target Name: Peregrin
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: EUbOPEN Chemogenomic Library

Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
Delta TM	=	0.2971	C	Thermal Shift Assay
Delta TM	=	0.5753	C	Thermal Shift Assay
Delta TM	=	0.4361	C	Thermal Shift Assay
Delta TM	=	-0.4298	C	Thermal Shift Assay
Delta TM	=	0.02717	C	Thermal Shift Assay
Delta TM	=	-5.472	C	Thermal Shift Assay
Delta TM	=	-1.59	C	Thermal Shift Assay
Delta TM	=	-0.2291	C	Thermal Shift Assay
Delta TM	=	0	C	Thermal Shift Assay
Delta TM	=	-0.3072	C	Thermal Shift Assay
Delta TM	=	-0.02679	C	Thermal Shift Assay
Delta TM	=	-0.8431	C	Thermal Shift Assay
Delta TM	=	-2.387	C	Thermal Shift Assay
Delta TM	=	0.1799	C	Thermal Shift Assay
Delta TM	=	-1.436	C	Thermal Shift Assay
Delta TM	=	-1.017	C	Thermal Shift Assay
Delta TM	=	1.328	C	Thermal Shift Assay
Delta TM	=	1.119	C	Thermal Shift Assay
Delta TM	=	-1.439	C	Thermal Shift Assay
Delta TM	=	-0.7527	C	Thermal Shift Assay

201730-11-2 靶点实验数据