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421-85-2 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:Carbonic anhydrase 12
External ID: CHEMBL2341902
Protocol: N/A
Comment: Journal: Bioorg Med Chem
Year: 2013
Volume: 21
Issue: 6
First Page: 1431
Last Page: 1436
DOI: 10.1016/j.bmc.2012.10.016

Target ChEMBL ID: CHEMBL3242
ChEMBL Target Name: Carbonic anhydrase XII
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 RelationStandard ValueStandard Units
Kb=2.310'9/M
Kb=1.210'8/M
Kb=710'7/M
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: CHEMBL638251
Protocol: N/A
Comment: Journal: J. Med. Chem.
Year: 1993
Volume: 36
Issue: 15
First Page: 2134
Last Page: 2141
DOI: 10.1021/jm00067a012
Standard TypeStandard RelationStandard Value
pKa=10.8
pKa=9.4
pKa=6.3
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 13
External ID: CHEMBL2341901
Protocol: N/A
Comment: Journal: Bioorg Med Chem
Year: 2013
Volume: 21
Issue: 6
First Page: 1431
Last Page: 1436
DOI: 10.1016/j.bmc.2012.10.016

Target ChEMBL ID: CHEMBL3912
ChEMBL Target Name: Carbonic anhydrase XIII
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 RelationStandard ValueStandard Units
Kb=1.810'9/M
Kb=1.910'7/M
Kb=4.610'7/M
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 12
External ID: CHEMBL2341900
Protocol: N/A
Comment: Journal: Bioorg. Med. Chem.
Year: 2013
Volume: 21
Issue: 6
First Page: 1431
Last Page: 1436
DOI: 10.1016/j.bmc.2012.10.016

Target ChEMBL ID: CHEMBL3242
ChEMBL Target Name: Carbonic anhydrase XII
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 TypeActivity Comment
ActivityActive
ActivityActive
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: CHEMBL1273993
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: 21
First Page: 7413
Last Page: 7421
DOI: 10.1016/j.bmc.2010.09.011

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 ValueStandard TypeStandard RelationStandard ValueStandard Units
0.13Kd=130nM
0.013Kd=13nM
0.17Kd=170nM
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: CHEMBL1273994
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: 21
First Page: 7413
Last Page: 7421
DOI: 10.1016/j.bmc.2010.09.011

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 ValueStandard TypeStandard RelationStandard ValueStandard UnitsActivity Comment
0.26Kd=260nM
0.11Kd=110nM
KdNot Determined
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:Shanghai Institute of Organic Chemistry 靶标:N/A
External ID: PDBbind-Ki for protein-ligand complexes
Protocol:
Comment:
PDBbind Data LinkAffinity_QuilifierKiPubMedProtein TargetProtein NameMMDBPDB
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1mto=0.11123900231MTO_A,1MTO_B6-phosphofructokinase214801MTO
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1mu6=0.0042125703691MU6_Bthrombin alpha267361MU6
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1mue=0.0023126572811MUE_Bthrombin alpha267381MUE
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1mx1>100127258621MX1_Acarboxylesterase i226511MX1
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1mxo=0.0011MXO_Abeta-lactamase220611MXO
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1my8=0.0351MY8_Abeta-lactamase220641MY8
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n1v=140125074791N1V_Aneuraminidase (sialidase)218101N1V
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n2v=83126460241N2V_Aqueuine tRNA-ribosyltransferase226611N2V
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n3i=0.0013127556071N3I_A,1N3I_Bpurine nucleoside phosphorylase246461N3I
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n46=3.0E-5125659331N46_Athyroid hormone receptor beta-1226621N46
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n4h=0.28129585911N4H_Anuclear receptor ror-beta246471N4H
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n5r=2.2125059791N5R_Aacetylcholinesterase218341N5R
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1n7i=0.26146958181N7I_Aphenylethanolamine n-methyltransferase255971N7I
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1nc1=0.75124962431NC1_A,1NC1_Bmta/sah nucleosidase252501NC1
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1nc3=10124962431NC3_A,1NC3_Bmta/sah nucleosidase223901NC3
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1nde=0.015124590171NDE_Aestrogen receptor beta215441NDE
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1ndz=0.0077147090461NDZ_Aadenosine deaminase256131NDZ
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1nhv=2.2125094361NHV_Arna-dependent rna polymerase224031NHV
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1nny=0.022126702291NNY_Atyrosine phosphatase 1b226961NNY
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1noj=70086525101NOJ_Aglycogen phosphorylase569921NOJ
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: CHEMBL1273995
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: 21
First Page: 7413
Last Page: 7421
DOI: 10.1016/j.bmc.2010.09.011

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 ValueStandard TypeStandard RelationStandard ValueStandard Units
0.09Kd=90nM
0.05Kd=50nM
0.2Kd=200nM
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: CHEMBL1273996
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: 21
First Page: 7413
Last Page: 7421
DOI: 10.1016/j.bmc.2010.09.011

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 ValueStandard TypeStandard RelationStandard ValueStandard UnitsActivity Comment
0.17Kd=170nM
0.056Kd=56nM
KdNot 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 7
External ID: CHEMBL1273997
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: 21
First Page: 7413
Last Page: 7421
DOI: 10.1016/j.bmc.2010.09.011

Target ChEMBL ID: CHEMBL2326
ChEMBL Target Name: Carbonic anhydrase VII
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 ValueStandard TypeStandard RelationStandard ValueStandard UnitsActivity CommentData Validity Comment
0.13Kd=130nM
0.83Kd=830nM
0.25Kd=250nM
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: CHEMBL4371108
Protocol: N/A
Comment: Journal: J Med Chem
Year: 2018
Volume: 61
Issue: 14
First Page: 5822
Last Page: 5880
DOI: 10.1021/acs.jmedchem.7b01788
Standard TypeStandard RelationStandard Value
pKa>8
pKa=8.2
pKa=10.8
pKa=6.3
pKa=9.81
pKa=7.12
pKa=7.7
pKa=10.5
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 12
External ID: CHEMBL2341899
Protocol: N/A
Comment: Journal: Bioorg. Med. Chem.
Year: 2013
Volume: 21
Issue: 6
First Page: 1431
Last Page: 1436
DOI: 10.1016/j.bmc.2012.10.016

Target ChEMBL ID: CHEMBL3242
ChEMBL Target Name: Carbonic anhydrase XII
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 TypeActivity Comment
ActivityNot Active
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:N/A
External ID: CHEMBL637490
Protocol: N/A
Comment: Journal: J. Med. Chem.
Year: 2002
Volume: 45
Issue: 17
First Page: 3588
Last Page: 3602
DOI: 10.1021/jm011112j
Standard TypeStandard RelationStandard Value
CLogP=0.19
CLogP=-1.7
CLogP=-1.58
CLogP=-0.84
CLogP=-1.46
CLogP=-0.81
CLogP=-1.05
CLogP=-0.55
CLogP=1.6
CLogP=-1.46
CLogP=0.92
CLogP=1.6
CLogP=0.11
CLogP=-1.02
CLogP=-0.06
CLogP=-0.84
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 12
External ID: CHEMBL2341898
Protocol: N/A
Comment: Journal: Bioorg. Med. Chem.
Year: 2013
Volume: 21
Issue: 6
First Page: 1431
Last Page: 1436
DOI: 10.1016/j.bmc.2012.10.016

Target ChEMBL ID: CHEMBL3242
ChEMBL Target Name: Carbonic anhydrase XII
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 TypeActivity Comment
ActivityNot Active
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:N/A
External ID: CHEMBL1781587
Protocol: N/A
Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2011
Volume: 21
Issue: 11
First Page: 3447
Last Page: 3451
DOI: 10.1016/j.bmcl.2011.03.094
Standard TypeStandard RelationStandard Value
pKa=17.5
pKa=9.7
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: CHEMBL1105194
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: 2010
Volume: 45
Issue: 3
First Page: 1225
Last Page: 1229
DOI: 10.1016/j.ejmech.2009.11.052
PubChem Standard ValueStandard TypeStandard RelationStandard ValueStandard Units
1.473IC50=1473nM
1.722IC50=1722nM
1.585IC50=1585nM
1.735IC50=1735nM
1.67IC50=1670nM
1.38IC50=1380nM
1.789IC50=1789nM
1.658IC50=1658nM
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: CHEMBL659851
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: 2002
Volume: 45
Issue: 17
First Page: 3588
Last Page: 3602
DOI: 10.1021/jm011112j

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
PubChem Standard ValueStandard TypeStandard RelationStandard ValueStandard Units
0.002Ki=2nM
4.4E-4Ki=0.44nM
0.0011Ki=1.1nM
0.00158Ki=1.58nM
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 7
External ID: CHEMBL1273998
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: 21
First Page: 7413
Last Page: 7421
DOI: 10.1016/j.bmc.2010.09.011

Target ChEMBL ID: CHEMBL2326
ChEMBL Target Name: Carbonic anhydrase VII
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 ValueStandard TypeStandard RelationStandard ValueStandard UnitsActivity Comment
0.77Kd=770nM
0.83Kd=830nM
KdNot 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 12
External ID: CHEMBL2341910
Protocol: N/A
Comment: Journal: Bioorg Med Chem
Year: 2013
Volume: 21
Issue: 6
First Page: 1431
Last Page: 1436
DOI: 10.1016/j.bmc.2012.10.016

Target ChEMBL ID: CHEMBL3242
ChEMBL Target Name: Carbonic anhydrase XII
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 RelationStandard ValueStandard Units
Kb=1.1510'8/M
Kb=1.8910'8/M
Kb=4.8410'8/M
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 13
External ID: CHEMBL1273999
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: 21
First Page: 7413
Last Page: 7421
DOI: 10.1016/j.bmc.2010.09.011

Target ChEMBL ID: CHEMBL3912
ChEMBL Target Name: Carbonic anhydrase XIII
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 ValueStandard TypeStandard RelationStandard ValueStandard UnitsActivity Comment
0.002Kd=2nM
0.067Kd=67nM
0.02Kd=20nM
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: CHEMBL4371155
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: 14
First Page: 5822
Last Page: 5880
DOI: 10.1021/acs.jmedchem.7b01788

Target ChEMBL ID: CHEMBL2283
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 ValueStandard TypeStandard RelationStandard ValueStandard Units
0.63IC50=630nM
0.22IC50=220nM
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: CHEMBL1815897
Protocol: N/A
Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem.
Year: 2011
Volume: 19
Issue: 11
First Page: 3367
Last Page: 3371
DOI: 10.1016/j.bmc.2011.04.040
PubChem Standard ValueStandard TypeStandard RelationStandard ValueStandard Units
21.12IC50=21120nM
4.31IC50=4310nM
11.37IC50=11370nM
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 13
External ID: CHEMBL1274000
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: 21
First Page: 7413
Last Page: 7421
DOI: 10.1016/j.bmc.2010.09.011

Target ChEMBL ID: CHEMBL3912
ChEMBL Target Name: Carbonic anhydrase XIII
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 ValueStandard TypeStandard RelationStandard ValueStandard UnitsActivity Comment
0.014Kd=14nM
0.24Kd=240nM
KdNot 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 2
External ID: CHEMBL1105195
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: 2010
Volume: 45
Issue: 3
First Page: 1225
Last Page: 1229
DOI: 10.1016/j.ejmech.2009.11.052

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 ValueStandard TypeStandard RelationStandard ValueStandard UnitsActivity Comment
IC50Not Determined
IC50Not Determined
IC50Not Determined
IC50Not Determined
IC50Not Determined
0.122IC50=122nM
IC50Not Determined
IC50Not Determined
IC50Not Determined
IC50Not Determined