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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 9' and Ligand = 'BDBM50504160'   
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
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50504160
PNG
(CHEMBL3133807 | US11773085, Compound B25)
Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)
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n/an/a 47n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...


Sci Adv 2: (2016)


BindingDB Entry DOI: 10.7270/Q24J0JPZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50504160
PNG
(CHEMBL3133807 | US11773085, Compound B25)
Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)
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UniProtKB/SwissProt

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n/an/a 160n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) using H4 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins ...


Bioorg Med Chem 27: 1391-1404 (2019)


Article DOI: 10.1016/j.bmc.2019.02.045
BindingDB Entry DOI: 10.7270/Q2KK9GBF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50504160
PNG
(CHEMBL3133807 | US11773085, Compound B25)
Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)
PDB

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UniProtKB/SwissProt

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MCE
PC cid
PC sid
PDB
UniChem
PDB
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n/an/a 300n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay


Sci Adv 2: (2016)


BindingDB Entry DOI: 10.7270/Q24J0JPZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50504160
PNG
(CHEMBL3133807 | US11773085, Compound B25)
Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)
PDB

KEGG

UniProtKB/SwissProt

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MCE
PC cid
PC sid
PDB
UniChem
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n/an/a 701n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay


Sci Adv 2: (2016)


BindingDB Entry DOI: 10.7270/Q24J0JPZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50504160
PNG
(CHEMBL3133807 | US11773085, Compound B25)
Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 114n/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged BRD9 (134 to 239 residues) expressed in Escherichia coli BL21 DE3 assessed as dissociation constant ...


J Med Chem 63: 3227-3237 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01980
BindingDB Entry DOI: 10.7270/Q26T0R19
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)