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Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'mezei' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50189696
PNG
(CHEMBL3827924)
Show SMILES COc1cccc(C(=O)N2CCN(CC2)C(=O)COc2cc(C)c(NC(N)=O)c(C)c2)c1OC
Show InChI InChI=1S/C24H30N4O6/c1-15-12-17(13-16(2)21(15)26-24(25)31)34-14-20(29)27-8-10-28(11-9-27)23(30)18-6-5-7-19(32-3)22(18)33-4/h5-7,12-13H,8-11,14H2,1-4H3,(H3,25,26,31)
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4.80E+3n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Binding affinity to CBX7ChD (7 to 66 residues) (unknown origin) expressed in RIPL-BL21 (DE3)-CodonPlus competent cells in presence of FITC-labeled SE...


ACS Med Chem Lett 7: 601-5 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00042
BindingDB Entry DOI: 10.7270/Q28054JT
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50189697
PNG
(CHEMBL3827733)
Show SMILES CCS(=O)(=O)Nc1c(C)cc(OCC(=O)N2CCN(CC2)C(=O)c2cccc(OC)c2OC)cc1C
Show InChI InChI=1S/C25H33N3O7S/c1-6-36(31,32)26-23-17(2)14-19(15-18(23)3)35-16-22(29)27-10-12-28(13-11-27)25(30)20-8-7-9-21(33-4)24(20)34-5/h7-9,14-15,26H,6,10-13,16H2,1-5H3
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1.00E+4n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Binding affinity to CBX7ChD (7 to 66 residues) (unknown origin) expressed in RIPL-BL21 (DE3)-CodonPlus competent cells in presence of FITC-labeled SE...


ACS Med Chem Lett 7: 601-5 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00042
BindingDB Entry DOI: 10.7270/Q28054JT
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50189699
PNG
(CHEMBL3827834)
Show SMILES COc1cccc(C(=O)N2CCN(CC2)C(=O)COc2ccc(NC(N)=O)c(C)c2)c1OC
Show InChI InChI=1S/C23H28N4O6/c1-15-13-16(7-8-18(15)25-23(24)30)33-14-20(28)26-9-11-27(12-10-26)22(29)17-5-4-6-19(31-2)21(17)32-3/h4-8,13H,9-12,14H2,1-3H3,(H3,24,25,30)
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1.00E+4n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Binding affinity to CBX7ChD (7 to 66 residues) (unknown origin) expressed in RIPL-BL21 (DE3)-CodonPlus competent cells in presence of FITC-labeled SE...


ACS Med Chem Lett 7: 601-5 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00042
BindingDB Entry DOI: 10.7270/Q28054JT
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50189698
PNG
(CHEMBL3827336)
Show SMILES COc1cccc(C(=O)N2CCN(CC2)C(=O)COc2cc(C)c(N)c(C)c2)c1OC
Show InChI InChI=1S/C23H29N3O5/c1-15-12-17(13-16(2)21(15)24)31-14-20(27)25-8-10-26(11-9-25)23(28)18-6-5-7-19(29-3)22(18)30-4/h5-7,12-13H,8-11,14,24H2,1-4H3
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1.69E+4n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Binding affinity to CBX7ChD (7 to 66 residues) (unknown origin) expressed in RIPL-BL21 (DE3)-CodonPlus competent cells in presence of FITC-labeled SE...


ACS Med Chem Lett 7: 601-5 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00042
BindingDB Entry DOI: 10.7270/Q28054JT
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50189711
PNG
(CHEMBL3827805)
Show SMILES CCS(=O)(=O)Nc1ccc(OCC(=O)N2CCN(CC2)C(=O)c2cccc(OC)c2OC)cc1C
Show InChI InChI=1S/C24H31N3O7S/c1-5-35(30,31)25-20-10-9-18(15-17(20)2)34-16-22(28)26-11-13-27(14-12-26)24(29)19-7-6-8-21(32-3)23(19)33-4/h6-10,15,25H,5,11-14,16H2,1-4H3
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2.50E+4n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Binding affinity to CBX7ChD (7 to 66 residues) (unknown origin) expressed in RIPL-BL21 (DE3)-CodonPlus competent cells in presence of FITC-labeled SE...


ACS Med Chem Lett 7: 601-5 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00042
BindingDB Entry DOI: 10.7270/Q28054JT
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50189780
PNG
(CHEMBL3827954)
Show SMILES COc1cccc(C(=O)N2CCN(CC2)C(=O)COc2cccc(C)c2)c1OC
Show InChI InChI=1S/C22H26N2O5/c1-16-6-4-7-17(14-16)29-15-20(25)23-10-12-24(13-11-23)22(26)18-8-5-9-19(27-2)21(18)28-3/h4-9,14H,10-13,15H2,1-3H3
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3.31E+4n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Binding affinity to CBX7ChD (7 to 66 residues) (unknown origin) expressed in RIPL-BL21 (DE3)-CodonPlus competent cells in presence of FITC-labeled SE...


ACS Med Chem Lett 7: 601-5 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00042
BindingDB Entry DOI: 10.7270/Q28054JT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50189762
PNG
(CHEMBL3827451)
Show SMILES COc1cccc(C(=O)N2CCN(CC2)C(=O)COc2ccc(N)c(C)c2)c1OC
Show InChI InChI=1S/C22H27N3O5/c1-15-13-16(7-8-18(15)23)30-14-20(26)24-9-11-25(12-10-24)22(27)17-5-4-6-19(28-2)21(17)29-3/h4-8,13H,9-12,14,23H2,1-3H3
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3.93E+4n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Binding affinity to CBX7ChD (7 to 66 residues) (unknown origin) expressed in RIPL-BL21 (DE3)-CodonPlus competent cells in presence of FITC-labeled SE...


ACS Med Chem Lett 7: 601-5 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00042
BindingDB Entry DOI: 10.7270/Q28054JT
More data for this
Ligand-Target Pair
EEF1AKMT4-ECE2 readthrough transcript protein


(Homo sapiens (Human))
BDBM50271179
PNG
(2-(2-(quinolin-2-yl)vinyl)phenol | CHEMBL487942 | ...)
Show SMILES Oc1ccccc1\C=C/c1ccc2ccccc2n1
Show InChI InChI=1S/C17H13NO/c19-17-8-4-2-6-14(17)10-12-15-11-9-13-5-1-3-7-16(13)18-15/h1-12,19H/b12-10-
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n/an/a 4.63E+3n/an/an/an/an/an/a



Mount Sinai School of Medicine

Curated by ChEMBL


Assay Description
Reduction of recombinant ECE2 (unknown origin) activity measured by McaBk2 fluorescent substrate hydrolysis


J Med Chem 51: 3378-87 (2008)


Article DOI: 10.1021/jm7015478
BindingDB Entry DOI: 10.7270/Q2319VN5
More data for this
Ligand-Target Pair
EEF1AKMT4-ECE2 readthrough transcript protein


(Homo sapiens (Human))
BDBM50271178
PNG
(1-(pyrrolidin-1-yl)-2-(quinoxalin-6-yl)ethanone | ...)
Show SMILES O=C(Cc1ccc2nccnc2c1)N1CCCC1
Show InChI InChI=1S/C14H15N3O/c18-14(17-7-1-2-8-17)10-11-3-4-12-13(9-11)16-6-5-15-12/h3-6,9H,1-2,7-8,10H2
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n/an/a 5.83E+3n/an/an/an/an/an/a



Mount Sinai School of Medicine

Curated by ChEMBL


Assay Description
Reduction of recombinant ECE2 (unknown origin) activity measured by McaBk2 fluorescent substrate hydrolysis


J Med Chem 51: 3378-87 (2008)


Article DOI: 10.1021/jm7015478
BindingDB Entry DOI: 10.7270/Q2319VN5
More data for this
Ligand-Target Pair
EEF1AKMT4-ECE2 readthrough transcript protein


(Homo sapiens (Human))
BDBM50001270
PNG
(2-(2-(quinolin-2-yl)vinyl)phenol | 2-(2-Quinolin-2...)
Show SMILES Oc1ccccc1\C=C\c1ccc2ccccc2n1
Show InChI InChI=1S/C17H13NO/c19-17-8-4-2-6-14(17)10-12-15-11-9-13-5-1-3-7-16(13)18-15/h1-12,19H/b12-10+
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n/an/a 6.42E+3n/an/an/an/an/an/a



Mount Sinai School of Medicine

Curated by ChEMBL


Assay Description
Reduction of recombinant ECE2 (unknown origin) activity measured by McaBk2 fluorescent substrate hydrolysis


J Med Chem 51: 3378-87 (2008)


Article DOI: 10.1021/jm7015478
BindingDB Entry DOI: 10.7270/Q2319VN5
More data for this
Ligand-Target Pair
EEF1AKMT4-ECE2 readthrough transcript protein


(Homo sapiens (Human))
BDBM50271180
PNG
(2-(2-hydroxy-3-methoxystyryl)quinolin-8-ol | CHEMB...)
Show SMILES COc1cccc(\C=C\c2ccc3cccc(O)c3n2)c1O
Show InChI InChI=1S/C18H15NO3/c1-22-16-7-3-5-13(18(16)21)9-11-14-10-8-12-4-2-6-15(20)17(12)19-14/h2-11,20-21H,1H3/b11-9+
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n/an/a 3.29E+4n/an/an/an/an/an/a



Mount Sinai School of Medicine

Curated by ChEMBL


Assay Description
Reduction of recombinant ECE2 (unknown origin) activity measured by McaBk2 fluorescent substrate hydrolysis


J Med Chem 51: 3378-87 (2008)


Article DOI: 10.1021/jm7015478
BindingDB Entry DOI: 10.7270/Q2319VN5
More data for this
Ligand-Target Pair
EEF1AKMT4-ECE2 readthrough transcript protein


(Homo sapiens (Human))
BDBM50271181
PNG
(2-(3-methoxystyryl)quinolin-8-ol | CHEMBL488140 | ...)
Show SMILES COc1cccc(\C=C\c2ccc3cccc(O)c3n2)c1
Show InChI InChI=1S/C18H15NO2/c1-21-16-6-2-4-13(12-16)8-10-15-11-9-14-5-3-7-17(20)18(14)19-15/h2-12,20H,1H3/b10-8+
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n/an/a 3.57E+4n/an/an/an/an/an/a



Mount Sinai School of Medicine

Curated by ChEMBL


Assay Description
Reduction of recombinant ECE2 (unknown origin) activity measured by McaBk2 fluorescent substrate hydrolysis


J Med Chem 51: 3378-87 (2008)


Article DOI: 10.1021/jm7015478
BindingDB Entry DOI: 10.7270/Q2319VN5
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50271178
PNG
(1-(pyrrolidin-1-yl)-2-(quinoxalin-6-yl)ethanone | ...)
Show SMILES O=C(Cc1ccc2nccnc2c1)N1CCCC1
Show InChI InChI=1S/C14H15N3O/c18-14(17-7-1-2-8-17)10-11-3-4-12-13(9-11)16-6-5-15-12/h3-6,9H,1-2,7-8,10H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Mount Sinai School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Neprilysin (unknown origin)


J Med Chem 51: 3378-87 (2008)


Article DOI: 10.1021/jm7015478
BindingDB Entry DOI: 10.7270/Q2319VN5
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50001270
PNG
(2-(2-(quinolin-2-yl)vinyl)phenol | 2-(2-Quinolin-2...)
Show SMILES Oc1ccccc1\C=C\c1ccc2ccccc2n1
Show InChI InChI=1S/C17H13NO/c19-17-8-4-2-6-14(17)10-12-15-11-9-13-5-1-3-7-16(13)18-15/h1-12,19H/b12-10+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Mount Sinai School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Neprilysin (unknown origin)


J Med Chem 51: 3378-87 (2008)


Article DOI: 10.1021/jm7015478
BindingDB Entry DOI: 10.7270/Q2319VN5
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50189695
PNG
(CHEMBL1198405)
Show SMILES Cc1ccccc1Cn1c2ccccc2n(CC(O)c2ccc(Cl)c(Cl)c2)c1=N
Show InChI InChI=1S/C23H21Cl2N3O/c1-15-6-2-3-7-17(15)13-27-20-8-4-5-9-21(20)28(23(27)26)14-22(29)16-10-11-18(24)19(25)12-16/h2-12,22,26,29H,13-14H2,1H3
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n/an/an/a 2.38E+4n/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Binding affinity to CBX7ChD (7 to 66 residues) (unknown origin) expressed in RIPL-BL21 (DE3)-CodonPlus competent cells assessed as compound/protein/F...


ACS Med Chem Lett 7: 601-5 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00042
BindingDB Entry DOI: 10.7270/Q28054JT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein Tat


(Human immunodeficiency virus type 1 (isolate HXB2 ...)
BDBM50476285
PNG
(CHEMBL609729)
Show SMILES CC(Cl)c1ccc(NCCCN)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C11H16ClN3O2/c1-8(12)9-3-4-10(14-6-2-5-13)11(7-9)15(16)17/h3-4,7-8,14H,2,5-6,13H2,1H3
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n/an/an/an/a 1.00E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Tat-mediated transcription of viral promoter in 293 T cells transfected with HIV1 tat by luciferase reporter gene assay


J Med Chem 50: 2285-8 (2007)


Article DOI: 10.1021/jm070014g
BindingDB Entry DOI: 10.7270/Q2WW7MG1
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50189780
PNG
(CHEMBL3827954)
Show SMILES COc1cccc(C(=O)N2CCN(CC2)C(=O)COc2cccc(C)c2)c1OC
Show InChI InChI=1S/C22H26N2O5/c1-16-6-4-7-17(14-16)29-15-20(25)23-10-12-24(13-11-23)22(26)18-8-5-9-19(27-2)21(18)28-3/h4-9,14H,10-13,15H2,1-3H3
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n/an/an/a 1.25E+5n/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Binding affinity to CBX7ChD (7 to 66 residues) (unknown origin) expressed in RIPL-BL21 (DE3)-CodonPlus competent cells assessed as compound/protein/F...


ACS Med Chem Lett 7: 601-5 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00042
BindingDB Entry DOI: 10.7270/Q28054JT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein Tat


(Human immunodeficiency virus type 1 (isolate HXB2 ...)
BDBM50398244
PNG
(CHEMBL609728)
Show SMILES Cc1ccc(NCCCN)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C10H15N3O2/c1-8-3-4-9(12-6-2-5-11)10(7-8)13(14)15/h3-4,7,12H,2,5-6,11H2,1H3
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n/an/an/an/a 1.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Tat-mediated transcription of viral promoter in 293 T cells transfected with HIV1 tat by luciferase reporter gene assay


J Med Chem 50: 2285-8 (2007)


Article DOI: 10.1021/jm070014g
BindingDB Entry DOI: 10.7270/Q2WW7MG1
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50189695
PNG
(CHEMBL1198405)
Show SMILES Cc1ccccc1Cn1c2ccccc2n(CC(O)c2ccc(Cl)c(Cl)c2)c1=N
Show InChI InChI=1S/C23H21Cl2N3O/c1-15-6-2-3-7-17(15)13-27-20-8-4-5-9-21(20)28(23(27)26)14-22(29)16-10-11-18(24)19(25)12-16/h2-12,22,26,29H,13-14H2,1H3
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n/an/an/a 5.00E+5n/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Binding affinity to 15N-labeled CBX7ChD (7 to 66 residues) (unknown origin) expressed in RIPL-BL21 (DE3)-CodonPlus competent cells by HSQC/NMR titrat...


ACS Med Chem Lett 7: 601-5 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00042
BindingDB Entry DOI: 10.7270/Q28054JT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)