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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Chromobox protein homolog 7' and Ligand = 'BDBM50189780'   
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))
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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MCE
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Article
PubMed
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))
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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MCE
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Article
PubMed
n/an/a 6.70E+4n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Cbx7 (unknown origin) using FITC-labeled SETDB1-K1170me3 peptide as probe by fluorescence polarization assay


Eur J Med Chem 136: 14-35 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.047
BindingDB Entry DOI: 10.7270/Q2F76G3G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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CHEMBL
MCE
PC cid
PC sid
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Article
PubMed
n/an/an/a 2.90E+4n/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity to Cbx7 (unknown origin)


Eur J Med Chem 136: 14-35 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.047
BindingDB Entry DOI: 10.7270/Q2F76G3G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

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PDB
Article
PubMed
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)