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BDBM111158 US10556908, Example 10::US9695180, 10

SMILES: Cc1ccc(cc1)-c1c(nc(OC[C@H]2CCCNC2)c2nccn12)-c1ccc(cc1)C#N

InChI Key: InChIKey=XDTJLKVIVJBDMI-FQEVSTJZSA-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 = 111158   
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))
BDBM111158
PNG
(US10556908, Example 10 | US9695180, 10)
Show SMILES Cc1ccc(cc1)-c1c(nc(OC[C@H]2CCCNC2)c2nccn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C26H25N5O/c1-18-4-8-22(9-5-18)24-23(21-10-6-19(15-27)7-11-21)30-26(25-29-13-14-31(24)25)32-17-20-3-2-12-28-16-20/h4-11,13-14,20,28H,2-3,12,16-17H2,1H3/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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 US10556908 (2020)


BindingDB Entry DOI: 10.7270/Q2FT8PDM
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111158
PNG
(US10556908, Example 10 | US9695180, 10)
Show SMILES Cc1ccc(cc1)-c1c(nc(OC[C@H]2CCCNC2)c2nccn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C26H25N5O/c1-18-4-8-22(9-5-18)24-23(21-10-6-19(15-27)7-11-21)30-26(25-29-13-14-31(24)25)32-17-20-3-2-12-28-16-20/h4-11,13-14,20,28H,2-3,12,16-17H2,1H3/t20-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/a7.525



Incyte Corporation

US Patent


Assay Description
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 mM NaCl, 5 mM DTT) were preincubated ...


US Patent US9695180 (2017)


BindingDB Entry DOI: 10.7270/Q2WQ01ZW
More data for this
Ligand-Target Pair