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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 = 'BDBM304061'   
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))
BDBM304061
PNG
(4-{2-(2-hydroxyethyl)-5-(4-methylphenyl)-3-oxo-8-[...)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(CCO)c(=O)n12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C27H27N5O3/c1-18-2-6-22(7-3-18)25-23(21-8-4-19(15-28)5-9-21)14-24(35-17-20-10-11-29-16-20)26-30-31(12-13-33)27(34)32(25)26/h2-9,14,20,29,33H,10-13,16-17H2,1H3/t20-/m1/s1
PDB
MMDB

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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))
BDBM304061
PNG
(4-{2-(2-hydroxyethyl)-5-(4-methylphenyl)-3-oxo-8-[...)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(CCO)c(=O)n12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C27H27N5O3/c1-18-2-6-22(7-3-18)25-23(21-8-4-19(15-28)5-9-21)14-24(35-17-20-10-11-29-16-20)26-30-31(12-13-33)27(34)32(25)26/h2-9,14,20,29,33H,10-13,16-17H2,1H3/t20-/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