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PDB code 5F25

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
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

  (107/110 = 97%)
(Homo sapiens (Human))
BDBM50183566
PNG
(CHEMBL3822498)
Show SMILES Cc1cc(cn(C)c1=O)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C14H14N2O2/c1-9-7-12(8-16(2)14(9)18)10-3-5-11(6-4-10)13(15)17/h3-8H,1-2H3,(H2,15,17)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 9.34E+3n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...


J Med Chem 59: 4462-75 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01865
BindingDB Entry DOI: 10.7270/Q27H1MJZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 9

  (107/110 = 97%)
(Homo sapiens (Human))
BDBM50183566
PNG
(CHEMBL3822498)
Show SMILES Cc1cc(cn(C)c1=O)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C14H14N2O2/c1-9-7-12(8-16(2)14(9)18)10-3-5-11(6-4-10)13(15)17/h3-8H,1-2H3,(H2,15,17)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 9.10E+3n/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal 6His-tagged BRD9 isoform 1 by SPR method


J Med Chem 59: 4462-75 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01865
BindingDB Entry DOI: 10.7270/Q27H1MJZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output