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BDBM50253059 CHEMBL4084749

SMILES: CC(=O)c1cc([nH]n1)C(=O)N1CCC(C1)c1cc(cc(C)n1)-c1cnn(C)c1

InChI Key: InChIKey=DXTOTRNBQCJEMI-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50253059   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50253059
PNG
(CHEMBL4084749)
Show SMILES CC(=O)c1cc([nH]n1)C(=O)N1CCC(C1)c1cc(cc(C)n1)-c1cnn(C)c1
Show InChI InChI=1S/C20H22N6O2/c1-12-6-15(16-9-21-25(3)10-16)7-18(22-12)14-4-5-26(11-14)20(28)19-8-17(13(2)27)23-24-19/h6-10,14H,4-5,11H2,1-3H3,(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal FLAG-tagged KDM5A expressed in baculovirus infected Sf9 insect cells using H3K4me3 peptide as substrate af...


Bioorg Med Chem Lett 27: 2974-2981 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.016
BindingDB Entry DOI: 10.7270/Q2RF5XFT
More data for this
Ligand-Target Pair