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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 9' and Ligand = 'BDBM321443'   
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))
BDBM321443
PNG
(3-(6-allyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C19H19N3O2/c1-4-10-22-12-16(15-8-9-20-17(15)19(22)24)13-6-5-7-14(11-13)18(23)21(2)3/h4-9,11-12,20H,1,10H2,2-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated JQ1 analog from recombinant His-tagged BRD9 (unknown origin) incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM321443
PNG
(3-(6-allyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C19H19N3O2/c1-4-10-22-12-16(15-8-9-20-17(15)19(22)24)13-6-5-7-14(11-13)18(23)21(2)3/h4-9,11-12,20H,1,10H2,2-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated JQ1 analog from recombinant His-tagged BRD9 (unknown origin) incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair