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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 = 'BDBM424918'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM424918
PNG
(US10517849, Compound 22 | US11013718, Compound 22)
Show SMILES CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CCC(N)=O)C2
Show InChI InChI=1S/C22H31N3O/c1-2-17(10-16-6-4-3-5-7-16)19-11-20(19)24-18-12-22(13-18)14-25(15-22)9-8-21(23)26/h3-7,10,18-20,24H,2,8-9,11-15H2,1H3,(H2,23,26)/b17-10+/t19-,20+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US11013718 (2021)

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


(Homo sapiens (Human))
BDBM424918
PNG
(US10517849, Compound 22 | US11013718, Compound 22)
Show SMILES CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CCC(N)=O)C2
Show InChI InChI=1S/C22H31N3O/c1-2-17(10-16-6-4-3-5-7-16)19-11-20(19)24-18-12-22(13-18)14-25(15-22)9-8-21(23)26/h3-7,10,18-20,24H,2,8-9,11-15H2,1H3,(H2,23,26)/b17-10+/t19-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10517849 (2019)


BindingDB Entry DOI: 10.7270/Q2222X53
More data for this
Ligand-Target Pair