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BDBM104923 US10047086, 54::US9695168, 54

SMILES: CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(nc2)N2CCCC2=O)n2cncc12

InChI Key: InChIKey=HQJNEPOHZNRAPQ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 104923   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM104923
PNG
(US10047086, 54 | US9695168, 54)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(nc2)N2CCCC2=O)n2cncc12
Show InChI InChI=1S/C29H30N8O/c1-34(2)23-11-14-35(15-12-23)29-24-18-31-19-37(24)28(27(33-29)21-7-5-20(16-30)6-8-21)22-9-10-25(32-17-22)36-13-3-4-26(36)38/h5-10,17-19,23H,3-4,11-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<50n/an/an/an/a7.5n/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 US10047086 (2018)


BindingDB Entry DOI: 10.7270/Q28917W4
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM104923
PNG
(US10047086, 54 | US9695168, 54)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(nc2)N2CCCC2=O)n2cncc12
Show InChI InChI=1S/C29H30N8O/c1-34(2)23-11-14-35(15-12-23)29-24-18-31-19-37(24)28(27(33-29)21-7-5-20(16-30)6-8-21)22-9-10-25(32-17-22)36-13-3-4-26(36)38/h5-10,17-19,23H,3-4,11-15H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<50n/an/an/an/a7.525



Incyte Corporation

US Patent


Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...


US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair