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BDBM304063 4-{5-(4-methylphenyl)-3-oxo-8-[(3R)-pyrrolidin-3-ylmethoxy]-2,3-dihydro[1,2,4]triazolo[4,3-a]pyrazin-6-yl}benzonitrile::US10138249, Example 20::US9758523, Example 20

SMILES: Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2n[nH]c(=O)n12)-c1ccc(cc1)C#N

InChI Key: InChIKey=YYEHLXJMCDJPTH-QGZVFWFLSA-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 = 304063   
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))
BDBM304063
PNG
(4-{5-(4-methylphenyl)-3-oxo-8-[(3R)-pyrrolidin-3-y...)
Show SMILES Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2n[nH]c(=O)n12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H22N6O2/c1-15-2-6-19(7-3-15)21-20(18-8-4-16(12-25)5-9-18)27-23(22-28-29-24(31)30(21)22)32-14-17-10-11-26-13-17/h2-9,17,26H,10-11,13-14H2,1H3,(H,29,31)/t17-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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


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


(Homo sapiens (Human))
BDBM304063
PNG
(4-{5-(4-methylphenyl)-3-oxo-8-[(3R)-pyrrolidin-3-y...)
Show SMILES Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2n[nH]c(=O)n12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H22N6O2/c1-15-2-6-19(7-3-15)21-20(18-8-4-16(12-25)5-9-18)27-23(22-28-29-24(31)30(21)22)32-14-17-10-11-26-13-17/h2-9,17,26H,10-11,13-14H2,1H3,(H,29,31)/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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


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