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Compile Data Set for Download or QSAR

Found 7 hits of ki for UniProtKB: O95931   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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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PubMed
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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Article
PubMed
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