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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 5B' and Ligand = 'BDBM50158859'   
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
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50158859
PNG
(CHEMBL3787193)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(=O)OC
Show InChI InChI=1S/C16H26N4O3/c1-5-20(9-8-19(2)3)15(21)12-17-11-14-10-13(6-7-18-14)16(22)23-4/h6-7,10,17H,5,8-9,11-12H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (1 to 809 residues) (unknown origin) expressed in Escherichia coli using biotin-H3K4me3 as substrate preincubated for 10 mins fol...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50158859
PNG
(CHEMBL3787193)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(=O)OC
Show InChI InChI=1S/C16H26N4O3/c1-5-20(9-8-19(2)3)15(21)12-17-11-14-10-13(6-7-18-14)16(22)23-4/h6-7,10,17H,5,8-9,11-12H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<1.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM5B in human U2OS cells assessed as reduction in demethylation of H3K4me3 after 20 hrs by Hoechst 33342 staining based immunofluoresc...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair