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BDBM50101667 CHEMBL3394924

SMILES: COc1cc(CNNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc(Br)c1O

InChI Key: InChIKey=ZTJCJKFKUNRTQY-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50101667   
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
Histone chaperone ASF1A


(Homo sapiens)
BDBM50101667
PNG
(CHEMBL3394924)
Show SMILES COc1cc(CNNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc(Br)c1O
Show InChI InChI=1S/C22H20BrN3O4/c1-30-19-12-14(11-18(23)20(19)27)13-24-26-22(29)16-7-9-17(10-8-16)25-21(28)15-5-3-2-4-6-15/h2-12,24,27H,13H2,1H3,(H,25,28)(H,26,29)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Colorado Center for Drug Discovery, Colorado State University, Department of Chemistry, Fort Collins, CO 80523-1872, USA. Electronic address: Greg.Miknis@Colostate.edu.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Asf1a binding with H3/H4 assessed as fluorescence intensity after 30 mins by ALPHA assay


Bioorg Med Chem Lett 25: 963-8 (2015)

More data for this
Ligand-Target Pair