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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 = 'BDBM304049'   
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))
BDBM304049
PNG
(4-{2-(2-cyanoethyl)-5-(4-methylphenyl)-3-oxo-8-[(3...)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(CCC#N)c(=O)n12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C28H26N6O2/c1-19-3-7-23(8-4-19)26-24(22-9-5-20(16-30)6-10-22)15-25(36-18-21-11-13-31-17-21)27-32-33(14-2-12-29)28(35)34(26)27/h3-10,15,21,31H,2,11,13-14,17-18H2,1H3/t21-/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
BindingDB Entry DOI: 10.7270/Q2MP55C0
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM304049
PNG
(4-{2-(2-cyanoethyl)-5-(4-methylphenyl)-3-oxo-8-[(3...)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(CCC#N)c(=O)n12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C28H26N6O2/c1-19-3-7-23(8-4-19)26-24(22-9-5-20(16-30)6-10-22)15-25(36-18-21-11-13-31-17-21)27-32-33(14-2-12-29)28(35)34(26)27/h3-10,15,21,31H,2,11,13-14,17-18H2,1H3/t21-/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
BindingDB Entry DOI: 10.7270/Q2GB2630
More data for this
Ligand-Target Pair