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BDBM304047 4-{2-methyl-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 4::US9758523, Example 4

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

InChI Key: InChIKey=OFIIJIBYEJSSMI-LJQANCHMSA-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 = 304047   
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))
BDBM304047
PNG
(4-{2-methyl-5-(4-methylphenyl)-3-oxo-8-[(3R)-pyrro...)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(C)c(=O)n12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C26H25N5O2/c1-17-3-7-21(8-4-17)24-22(20-9-5-18(14-27)6-10-20)13-23(33-16-19-11-12-28-15-19)25-29-30(2)26(32)31(24)25/h3-10,13,19,28H,11-12,15-16H2,1-2H3/t19-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 300n/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
BindingDB Entry DOI: 10.7270/Q2MP55C0
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM304047
PNG
(4-{2-methyl-5-(4-methylphenyl)-3-oxo-8-[(3R)-pyrro...)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(C)c(=O)n12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C26H25N5O2/c1-17-3-7-21(8-4-17)24-22(20-9-5-18(14-27)6-10-20)13-23(33-16-19-11-12-28-15-19)25-29-30(2)26(32)31(24)25/h3-10,13,19,28H,11-12,15-16H2,1-2H3/t19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 300n/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
BindingDB Entry DOI: 10.7270/Q2GB2630
More data for this
Ligand-Target Pair