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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 = 'BDBM304044'   
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))
BDBM304044
PNG
(4-{5-(4-methylphenyl)-8-[(3R)-pyrrolidin-3-ylmetho...)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nncn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H23N5O/c1-17-2-6-21(7-3-17)24-22(20-8-4-18(13-26)5-9-20)12-23(25-29-28-16-30(24)25)31-15-19-10-11-27-14-19/h2-9,12,16,19,27H,10-11,14-15H2,1H3/t19-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<50n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
LANCE LSD1/KDM1A demethylase assay 10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US9758523 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM304044
PNG
(4-{5-(4-methylphenyl)-8-[(3R)-pyrrolidin-3-ylmetho...)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nncn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H23N5O/c1-17-2-6-21(7-3-17)24-22(20-8-4-18(13-26)5-9-20)12-23(25-29-28-16-30(24)25)31-15-19-10-11-27-14-19/h2-9,12,16,19,27H,10-11,14-15H2,1H3/t19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<50n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10138249 (2018)


Article DOI: 10.1021/jm040063i
More data for this
Ligand-Target Pair