new BindingDB logo
myBDB logout

BDBM50140571 CHEMBL3752294

SMILES: OC(=O)CCNc1nc(cc(n1)-c1nccs1)N1CCN(CC1)c1ccccn1

InChI Key: InChIKey=PINXVCIAVYOTCJ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50140571   
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
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140571
PNG
(CHEMBL3752294)
Show SMILES OC(=O)CCNc1nc(cc(n1)-c1nccs1)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C19H21N7O2S/c27-17(28)4-6-22-19-23-14(18-21-7-12-29-18)13-16(24-19)26-10-8-25(9-11-26)15-3-1-2-5-20-15/h1-3,5,7,12-13H,4,6,8-11H2,(H,27,28)(H,22,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 900n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair