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BDBM304057 4-{5-(4-methylphenyl)-3-oxo-2-(2-phenoxyethyl)-8-[(3R)-pyrrolidin-3-ylmethoxy]-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridin-6-yl}benzonitrile::US10138249, Example 14::US9758523, Example 14

SMILES: Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(CCOc3ccccc3)c(=O)n12)-c1ccc(cc1)C#N

InChI Key: InChIKey=AGVSWFFMFSYIIC-RUZDIDTESA-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 = 304057   
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))
BDBM304057
PNG
(4-{5-(4-methylphenyl)-3-oxo-2-(2-phenoxyethyl)-8-[...)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(CCOc3ccccc3)c(=O)n12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C33H31N5O3/c1-23-7-11-27(12-8-23)31-29(26-13-9-24(20-34)10-14-26)19-30(41-22-25-15-16-35-21-25)32-36-37(33(39)38(31)32)17-18-40-28-5-3-2-4-6-28/h2-14,19,25,35H,15-18,21-22H2,1H3/t25-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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 US9758523 (2017)

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


(Homo sapiens (Human))
BDBM304057
PNG
(4-{5-(4-methylphenyl)-3-oxo-2-(2-phenoxyethyl)-8-[...)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(CCOc3ccccc3)c(=O)n12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C33H31N5O3/c1-23-7-11-27(12-8-23)31-29(26-13-9-24(20-34)10-14-26)19-30(41-22-25-15-16-35-21-25)32-36-37(33(39)38(31)32)17-18-40-28-5-3-2-4-6-28/h2-14,19,25,35H,15-18,21-22H2,1H3/t25-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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 US10138249 (2018)

More data for this
Ligand-Target Pair