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BDBM103889 US10047086, 3::US10640503, Example 3::US9695168, 3

SMILES: Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=CZBVUTHYOJMWJX-GOSISDBHSA-N

Data: 3 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 3 hits for monomerid = 103889   
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))
BDBM103889
PNG
(US10047086, 3 | US10640503, Example 3 | US9695168,...)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)[N+]([O-])=O |r|
Show InChI InChI=1S/C25H24N4O3/c1-17-2-4-20(5-3-17)25-22(19-6-8-21(9-7-19)29(30)31)12-24(23-14-27-16-28(23)25)32-15-18-10-11-26-13-18/h2-9,12,14,16,18,26H,10-11,13,15H2,1H3/t18-/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM103889
PNG
(US10047086, 3 | US10640503, Example 3 | US9695168,...)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)[N+]([O-])=O |r|
Show InChI InChI=1S/C25H24N4O3/c1-17-2-4-20(5-3-17)25-22(19-6-8-21(9-7-19)29(30)31)12-24(23-14-27-16-28(23)25)32-15-18-10-11-26-13-18/h2-9,12,14,16,18,26H,10-11,13,15H2,1H3/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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 US10640503 (2020)

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


(Homo sapiens (Human))
BDBM103889
PNG
(US10047086, 3 | US10640503, Example 3 | US9695168,...)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)[N+]([O-])=O |r|
Show InChI InChI=1S/C25H24N4O3/c1-17-2-4-20(5-3-17)25-22(19-6-8-21(9-7-19)29(30)31)12-24(23-14-27-16-28(23)25)32-15-18-10-11-26-13-18/h2-9,12,14,16,18,26H,10-11,13,15H2,1H3/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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