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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM50185388'   
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 histone demethylase 1A


(Homo sapiens (Human))
BDBM50185388
PNG
(CHEMBL378900 | N-(3,3-diphenylpropyl)-1-3-[3-({7-[...)
Show SMILES NC(NC(=N)NCCC(c1ccccc1)c1ccccc1)=NCCCNCCCCCCCNCCCN=C(N)NC(=N)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C47H68N12/c48-44(58-46(50)56-36-28-42(38-20-8-4-9-21-38)39-22-10-5-11-23-39)54-34-18-32-52-30-16-2-1-3-17-31-53-33-19-35-55-45(49)59-47(51)57-37-29-43(40-24-12-6-13-25-40)41-26-14-7-15-27-41/h4-15,20-27,42-43,52-53H,1-3,16-19,28-37H2,(H5,48,50,54,56,58)(H5,49,51,55,57,59)
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Article
PubMed
n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal 6x His-tagged human LSD1 expressed in Escherichia coli BL21 (DE3) using H3K4me2 peptide as substrate by luminold...


Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50185388
PNG
(CHEMBL378900 | N-(3,3-diphenylpropyl)-1-3-[3-({7-[...)
Show SMILES NC(NC(=N)NCCC(c1ccccc1)c1ccccc1)=NCCCNCCCCCCCNCCCN=C(N)NC(=N)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C47H68N12/c48-44(58-46(50)56-36-28-42(38-20-8-4-9-21-38)39-22-10-5-11-23-39)54-34-18-32-52-30-16-2-1-3-17-31-53-33-19-35-55-45(49)59-47(51)57-37-29-43(40-24-12-6-13-25-40)41-26-14-7-15-27-41/h4-15,20-27,42-43,52-53H,1-3,16-19,28-37H2,(H5,48,50,54,56,58)(H5,49,51,55,57,59)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of LSD1


J Med Chem 54: 8236-50 (2011)


Article DOI: 10.1021/jm201048w
BindingDB Entry DOI: 10.7270/Q2D50NFR
More data for this
Ligand-Target Pair