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36950-49-9 靶点实验数据

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Signal transducer and activator of transcription 3
External ID: CHEMBL4035122
Protocol: N/A
Comment: Journal: Bioorg Med Chem
Year: 2017
Volume: 25
Issue: 12
First Page: 2995
Last Page: 3005
DOI: 10.1016/j.bmc.2017.03.048

Target ChEMBL ID: CHEMBL4026
ChEMBL Target Name: Signal transducer and activator of transcription 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
Standard TypeStandard UnitsActivity Comment
Inhibition%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：Maternal embryonic leucine zipper kinase
External ID: CHEMBL4035104
Protocol: N/A
Comment: Journal: Bioorg Med Chem
Year: 2017
Volume: 25
Issue: 12
First Page: 2995
Last Page: 3005
DOI: 10.1016/j.bmc.2017.03.048

Target ChEMBL ID: CHEMBL4578
ChEMBL Target Name: Maternal embryonic leucine zipper kinase
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 TypeStandard UnitsActivity Comment
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：Maternal embryonic leucine zipper kinase
External ID: CHEMBL4035105
Protocol: N/A
Comment: Journal: Bioorg Med Chem
Year: 2017
Volume: 25
Issue: 12
First Page: 2995
Last Page: 3005
DOI: 10.1016/j.bmc.2017.03.048

Target ChEMBL ID: CHEMBL4578
ChEMBL Target Name: Maternal embryonic leucine zipper kinase
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 TypeStandard UnitsActivity Comment
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：Maternal embryonic leucine zipper kinase
External ID: CHEMBL4035102
Protocol: N/A
Comment: Journal: Bioorg Med Chem
Year: 2017
Volume: 25
Issue: 12
First Page: 2995
Last Page: 3005
DOI: 10.1016/j.bmc.2017.03.048

Target ChEMBL ID: CHEMBL4578
ChEMBL Target Name: Maternal embryonic leucine zipper kinase
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 TypeStandard UnitsActivity Comment
Inhibition%Tde
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：HepG2-CD81
External ID: CHEMBL4483864
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: Science
Year: 2018
Volume: 362
Issue: 6419
DOI: 10.1126/science.aat9446

Target ChEMBL ID: CHEMBL4543887
ChEMBL Target Name: HepG2-CD81
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: Winzeler Lab Plasmodium Screening
PubChem Standard ValueStandard TypeStandard RelationStandard ValueStandard Units
3.48HEPG2TOX ASSAY - CC90=3.48uM
1.05HEPG2TOX ASSAY - CC50=1.05uM
1.05HEPG2TOX ASSAY - CC90=1.05uM
6.54HEPG2TOX ASSAY - CC50=6.54uM
4.75HEPG2TOX ASSAY - CC90=4.75uM
1.63HEPG2TOX ASSAY - CC50=1.63uM
1.63HEPG2TOX ASSAY - CC90=1.63uM
7.48HEPG2TOX ASSAY - CC50=7.48uM
3.26HEPG2TOX ASSAY - CC90=3.26uM
0.0189HEPG2TOX ASSAY - CC50=0.0189uM
6.77HEPG2TOX ASSAY - CC90=6.77uM
7.54HEPG2TOX ASSAY - CC50=7.54uM
12.4HEPG2TOX ASSAY - CC90>12.4uM
6.3HEPG2TOX ASSAY - CC50=6.3uM
6.3HEPG2TOX ASSAY - CC90=6.3uM
9.05HEPG2TOX ASSAY - CC50=9.05uM
14.9HEPG2TOX ASSAY - CC90>14.9uM
12.7HEPG2TOX ASSAY - CC50>12.7uM
12.7HEPG2TOX ASSAY - CC90>12.7uM
8.37HEPG2TOX ASSAY - CC50>8.37uM
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Maternal embryonic leucine zipper kinase
External ID: CHEMBL4035103
Protocol: N/A
Comment: Journal: Bioorg Med Chem
Year: 2017
Volume: 25
Issue: 12
First Page: 2995
Last Page: 3005
DOI: 10.1016/j.bmc.2017.03.048

Target ChEMBL ID: CHEMBL4578
ChEMBL Target Name: Maternal embryonic leucine zipper kinase
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 TypeStandard UnitsActivity Comment
Inhibition%Tde
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Plasmodium berghei
External ID: CHEMBL4483863
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: Science
Year: 2018
Volume: 362
Issue: 6419
DOI: 10.1126/science.aat9446

Target ChEMBL ID: CHEMBL612653
ChEMBL Target Name: Plasmodium berghei
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: Winzeler Lab Plasmodium Screening
PubChem Standard ValueStandard TypeStandard RelationStandard ValueStandard Units
9.56LUCIFERASE EXPRESSION CONTROL - IC90>9.56uM
1.17LUCIFERASE INFECTION ASSAY - IC50=1.17uM
1.41LUCIFERASE INFECTION ASSAY - IC90=1.41uM
10LUCIFERASE EXPRESSION CONTROL - IC50>10uM
9.72LUCIFERASE EXPRESSION CONTROL - IC90>9.72uM
9.01LUCIFERASE INFECTION ASSAY - IC50>9.01uM
9.01LUCIFERASE INFECTION ASSAY - IC90>9.01uM
9.01LUCIFERASE EXPRESSION CONTROL - IC50>9.01uM
9.01LUCIFERASE EXPRESSION CONTROL - IC90>9.01uM
8.99LUCIFERASE INFECTION ASSAY - IC50=8.99uM
10LUCIFERASE INFECTION ASSAY - IC90>10uM
10LUCIFERASE EXPRESSION CONTROL - IC50>10uM
9.81LUCIFERASE EXPRESSION CONTROL - IC90>9.81uM
3.23LUCIFERASE INFECTION ASSAY - IC50=3.23uM
6.33LUCIFERASE INFECTION ASSAY - IC90>6.33uM
6.33LUCIFERASE EXPRESSION CONTROL - IC50>6.33uM
8.74LUCIFERASE EXPRESSION CONTROL - IC90>8.74uM
10LUCIFERASE INFECTION ASSAY - IC50>10uM
10LUCIFERASE INFECTION ASSAY - IC90>10uM
10LUCIFERASE EXPRESSION CONTROL - IC50>10uM
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：RAC-alpha serine/threonine-protein kinase
External ID: CHEMBL4035112
Protocol: N/A
Comment: Journal: Bioorg Med Chem
Year: 2017
Volume: 25
Issue: 12
First Page: 2995
Last Page: 3005
DOI: 10.1016/j.bmc.2017.03.048

Target ChEMBL ID: CHEMBL4282
ChEMBL Target Name: Serine/threonine-protein kinase AKT
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 TypeStandard UnitsActivity Comment
Inhibition%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：Signal transducer and activator of transcription 3
External ID: CHEMBL4035113
Protocol: N/A
Comment: Journal: Bioorg Med Chem
Year: 2017
Volume: 25
Issue: 12
First Page: 2995
Last Page: 3005
DOI: 10.1016/j.bmc.2017.03.048

Target ChEMBL ID: CHEMBL4026
ChEMBL Target Name: Signal transducer and activator of transcription 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
Standard TypeStandard UnitsActivity Comment
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：Signal transducer and activator of transcription 3
External ID: CHEMBL4035108
Protocol: N/A
Comment: Journal: Bioorg Med Chem
Year: 2017
Volume: 25
Issue: 12
First Page: 2995
Last Page: 3005
DOI: 10.1016/j.bmc.2017.03.048

Target ChEMBL ID: CHEMBL4026
ChEMBL Target Name: Signal transducer and activator of transcription 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
Standard TypeStandard UnitsActivity Comment
Inhibition%Active
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：15290 靶标：N/A
External ID: CBX7-Alpha-primary
Protocol: The protocol for the CBX7 AlphaScreen that we use is as follows: We create a standard alpha buffer (50mM HEPES, 150mM NaCl, 0.1% w/v BSA, 0.01% w/v Tween20) at pH 8.0 and make up two stock solutions at 2x final concentration in the alpha buffer. Solution A contains Human His6-CBX7 is used with biotinylated-H3K27me3 (residues 20-34), at 100nM and 50nM respectively. Solution B contains 20nM streptavidin donor beads and 20nM nickel acceptor beads. For 384 well assay formats, 10uL of solution A is added to each well of the assay plate and the plate is spun at 1000 rpm for 30 seconds. 100 nL of experimental ccompounds from stock plates are delivered by robotic pin transfer using a Janus Workstation (PerkinElmer), allowing the compounds to interact with CBX7 binding prior to assay measurement, followed by another spin and an incubation room temperature. Finally, 10uL of solution B is added to each well, the plate is spun again and then incubated at room temperature. AlphaScreen measurements are performed on an Envision 2104 (PerkinElmer) utilizing the manufacturer's protocol that has the correct excitation and emission wavelengths, cutoff filters, delay time, etc. We also do a crosstalk calculation through the Envision software to correct for luminescence for adjacent wells while reading the plate. The signal is then normalized to DMSO control wells on the compound plate prior to creation of the IC50 curves.
Comment:
plate numberwellrowcolumnSMILESreplicate 1replicate2meannorm1norm2normAvgZscore
121I01I1Clc1ccc(CCNS(=O)(=O)c2ccc3N(CCc3c2)C(=O)C4CC4)cc14839155057404948271.0220454211.0681405861.0450919471.075244414
121I21I21COC(=O)c1cn(nc1c2ccc(OC)cc2)c3ccccc34823634986434905031.0187675431.0531514731.0359595080.857475943
121I22I22COC(=O)Cn1nc(c2ccccc2)c3ccccc134680734718754699740.9885865630.996616520.992601541-0.176420664
121J10J10CCN1C(=O)c2ccccc2S(=O)(=O)c3ccc(cc13)C(=O)N4CCC(C)CC44671594788774730180.9866561631.0114049890.999030576-0.023116496
121K08K8CCOc1ccc(cc1)n2cc([nH]c2=O)c3ccc(OCC)c(Cl)c34059904319254189570.8574650930.9122407210.884851851-2.745776367
121K09K9FC(F)(F)c1cccc(NC(=O)c2nn(c3ccc(Cl)cc3)c(=O)c4ccccc24)c14416024450144433080.9326788840.9398851480.936282016-1.519393382
121K21K21CCOC(=O)c1ccc(NC(=O)c2cn(nc2c3ccc(OC)cc3)c4ccccc4)cc14260674257584259120.899868420.8992158010.899541055-2.395503538
121L18L18Fc1ccc(CN2C(=O)c3ccccc3S(=O)(=O)c4ccc(cc24)C(=O)N5CCCCCC5)cc14157864193044175450.8781545880.8855847270.881869658-2.81688855
121M18M18Cc1cc(C)c(NC2=NC3CS(=O)(=O)CC3S2)c(C)c14611344620194615760.9739311520.9758003030.974864671-0.599366921
121M20M20CC(CC(=O)NCCc1c[nH]c2ccccc12)CC3=Nc4ccccc4S(=O)(=O)N34502934441804472360.951034580.938123710.944578089-1.321568555
121O09O9COc1ccc(NC(=O)c2nn(c3ccc(Cl)cc3)c(=O)c4ccccc24)cc1OC3910113640593775350.8258289210.7689053530.797367137-4.831901618
121O16O16COc1cccc(CNS(=O)(=O)c2ccc3NC(=O)CCc3c2)c14595484749364672420.9705814641.0030814590.986831462-0.314011659
121O18O18Clc1ccc(cc1NC2=NC3CS(=O)(=O)CC3S2)C(=O)N4CCN(CC4)C5CCCCC54773634807634790631.0082073681.0153882871.0117978280.281326243
121P02P2COC(CNC(=O)c1ccc2S(=O)c3ccccc3C(=O)N(Cc4ccccc4)c2c1)OC4594844691204643020.9704462940.9907978630.980622079-0.462078103
121P16P16CCN(CC)C(=O)c1ccc2c(c1)N(Cc3ccccc3F)C(=O)c4ccccc4S2(=O)=O4521154520284520710.9548827080.9546989610.954789779-1.078064727
121P18P18Fc1ccc(CN2C(=O)c3ccccc3S(=O)(=O)c4ccc(cc24)C(=O)N5CCCC5)cc14605014761644683320.9725942341.0056750380.98913358-0.259116277
122B04B4COc1ccc(CNC(=O)c2cc(=O)[nH]c3ccc(cc23)S(=O)(=O)N4CCCC4)c(OC)c15101525118965110241.0674846881.071133981.0693093342.080198605
122B12B12CCOCCCNC(=O)CCN1C(=O)COc2ccccc125335155357245346191.1163713821.1209936791.1186814843.562017465
122C05C5O=C(CN1C(=O)CSc2ccc(cc12)S(=O)(=O)N3CCOCC3)N4CCCCC44800204912754856471.0044339731.0279848761.0162083780.486466153
122C22C22CCC1Oc2ccccc2N(CC(=O)NCc3ccccc3Cl)C1=O4714464726974720710.9864930180.9891107150.987800821-0.366137061
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Maternal embryonic leucine zipper kinase
External ID: CHEMBL4035106
Protocol: N/A
Comment: Journal: Bioorg Med Chem
Year: 2017
Volume: 25
Issue: 12
First Page: 2995
Last Page: 3005
DOI: 10.1016/j.bmc.2017.03.048

Target ChEMBL ID: CHEMBL4578
ChEMBL Target Name: Maternal embryonic leucine zipper kinase
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 TypeStandard UnitsActivity Comment
Inhibition%Tde
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：MDA-MB-468
External ID: CHEMBL4035107
Protocol: N/A
Comment: Journal: Bioorg Med Chem
Year: 2017
Volume: 25
Issue: 12
First Page: 2995
Last Page: 3005
DOI: 10.1016/j.bmc.2017.03.048

Target ChEMBL ID: CHEMBL614335
ChEMBL Target Name: MDA-MB-468
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeActivity Comment
ActivityNot Active
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Signal transducer and activator of transcription 3
External ID: CHEMBL4035121
Protocol: N/A
Comment: Journal: Bioorg Med Chem
Year: 2017
Volume: 25
Issue: 12
First Page: 2995
Last Page: 3005
DOI: 10.1016/j.bmc.2017.03.048

Target ChEMBL ID: CHEMBL4026
ChEMBL Target Name: Signal transducer and activator of transcription 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
Standard TypeStandard UnitsActivity Comment
Inhibition%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：Signal transducer and activator of transcription 3
External ID: CHEMBL4035118
Protocol: N/A
Comment: Journal: Bioorg Med Chem
Year: 2017
Volume: 25
Issue: 12
First Page: 2995
Last Page: 3005
DOI: 10.1016/j.bmc.2017.03.048

Target ChEMBL ID: CHEMBL4026
ChEMBL Target Name: Signal transducer and activator of transcription 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
Standard TypeStandard UnitsActivity Comment
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：Signal transducer and activator of transcription 3
External ID: CHEMBL4035116
Protocol: N/A
Comment: Journal: Bioorg Med Chem
Year: 2017
Volume: 25
Issue: 12
First Page: 2995
Last Page: 3005
DOI: 10.1016/j.bmc.2017.03.048

Target ChEMBL ID: CHEMBL4026
ChEMBL Target Name: Signal transducer and activator of transcription 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
Standard TypeStandard UnitsActivity Comment
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：Signal transducer and activator of transcription 3
External ID: CHEMBL4035117
Protocol: N/A
Comment: Journal: Bioorg Med Chem
Year: 2017
Volume: 25
Issue: 12
First Page: 2995
Last Page: 3005
DOI: 10.1016/j.bmc.2017.03.048

Target ChEMBL ID: CHEMBL4026
ChEMBL Target Name: Signal transducer and activator of transcription 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
Standard TypeStandard UnitsActivity Comment
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：Signal transducer and activator of transcription 3
External ID: CHEMBL4035114
Protocol: N/A
Comment: Journal: Bioorg Med Chem
Year: 2017
Volume: 25
Issue: 12
First Page: 2995
Last Page: 3005
DOI: 10.1016/j.bmc.2017.03.048

Target ChEMBL ID: CHEMBL4026
ChEMBL Target Name: Signal transducer and activator of transcription 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
Standard TypeStandard UnitsActivity Comment
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：Signal transducer and activator of transcription 3
External ID: CHEMBL4035115
Protocol: N/A
Comment: Journal: Bioorg Med Chem
Year: 2017
Volume: 25
Issue: 12
First Page: 2995
Last Page: 3005
DOI: 10.1016/j.bmc.2017.03.048

Target ChEMBL ID: CHEMBL4026
ChEMBL Target Name: Signal transducer and activator of transcription 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
Standard TypeStandard UnitsActivity Comment
Inhibition%Active

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