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BDBM304058 4-{2-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)-3-oxo-8-[(3R)-pyrrolidin-3-ylmethoxy]-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridin-6-yl}benzonitrile::US10138249, Example 15::US9758523, Example 15

SMILES: CN(C)CCn1nc2c(OC[C@@H]3CCNC3)cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n2c1=O

InChI Key: InChIKey=QFQHVKNEEKDPRQ-JOCHJYFZSA-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 = 304058   
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))
BDBM304058
PNG
(4-{2-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)-3...)
Show SMILES CN(C)CCn1nc2c(OC[C@@H]3CCNC3)cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n2c1=O
Show InChI InChI=1S/C29H32N6O2/c1-20-4-8-24(9-5-20)27-25(23-10-6-21(17-30)7-11-23)16-26(37-19-22-12-13-31-18-22)28-32-34(15-14-33(2)3)29(36)35(27)28/h4-11,16,22,31H,12-15,18-19H2,1-3H3/t22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
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 US9758523 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM304058
PNG
(4-{2-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)-3...)
Show SMILES CN(C)CCn1nc2c(OC[C@@H]3CCNC3)cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n2c1=O
Show InChI InChI=1S/C29H32N6O2/c1-20-4-8-24(9-5-20)27-25(23-10-6-21(17-30)7-11-23)16-26(37-19-22-12-13-31-18-22)28-32-34(15-14-33(2)3)29(36)35(27)28/h4-11,16,22,31H,12-15,18-19H2,1-3H3/t22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
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 US10138249 (2018)


Article DOI: 10.1021/jm040063i
More data for this
Ligand-Target Pair