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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 = 'BDBM304062'   
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))
BDBM304062
PNG
(4-{5-(4-methylphenyl)-8-[(3R)-pyrrolidin-3-ylmetho...)
Show SMILES Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nncn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H22N6O/c1-16-2-6-20(7-3-16)22-21(19-8-4-17(12-25)5-9-19)28-24(23-29-27-15-30(22)23)31-14-18-10-11-26-13-18/h2-9,15,18,26H,10-11,13-14H2,1H3/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 75n/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)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM304062
PNG
(4-{5-(4-methylphenyl)-8-[(3R)-pyrrolidin-3-ylmetho...)
Show SMILES Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nncn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H22N6O/c1-16-2-6-20(7-3-16)22-21(19-8-4-17(12-25)5-9-19)28-24(23-29-27-15-30(22)23)31-14-18-10-11-26-13-18/h2-9,15,18,26H,10-11,13-14H2,1H3/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 75n/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)

More data for this
Ligand-Target Pair