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SMILES: CCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)nc3)n3cncc23)C1

InChI Key: InChIKey=WQWCHCZJIBCGSH-JOCHJYFZSA-N

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 = 105922   
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 [151-852]


(Homo sapiens (Human))
BDBM105922
PNG
(US10047086, 146 | US10640503, Example 146 | US9695...)
Show SMILES CCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)nc3)n3cncc23)C1 |r|
Show InChI InChI=1S/C28H29N5O/c1-3-32-12-4-5-22(17-32)18-34-27-13-25(23-10-7-21(14-29)8-11-23)28(33-19-30-16-26(27)33)24-9-6-20(2)31-15-24/h6-11,13,15-16,19,22H,3-5,12,17-18H2,1-2H3/t22-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 75n/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))
BDBM105922
PNG
(US10047086, 146 | US10640503, Example 146 | US9695...)
Show SMILES CCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)nc3)n3cncc23)C1 |r|
Show InChI InChI=1S/C28H29N5O/c1-3-32-12-4-5-22(17-32)18-34-27-13-25(23-10-7-21(14-29)8-11-23)28(33-19-30-16-26(27)33)24-9-6-20(2)31-15-24/h6-11,13,15-16,19,22H,3-5,12,17-18H2,1-2H3/t22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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 US10640503 (2020)

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


(Homo sapiens (Human))
BDBM105922
PNG
(US10047086, 146 | US10640503, Example 146 | US9695...)
Show SMILES CCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)nc3)n3cncc23)C1 |r|
Show InChI InChI=1S/C28H29N5O/c1-3-32-12-4-5-22(17-32)18-34-27-13-25(23-10-7-21(14-29)8-11-23)28(33-19-30-16-26(27)33)24-9-6-20(2)31-15-24/h6-11,13,15-16,19,22H,3-5,12,17-18H2,1-2H3/t22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 75n/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