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BDBM304055 4-[5-(4-methylphenyl)-3-oxo-8-[(3R)-pyrrolidin-3-ylmethoxy]-2-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzonitrile::US10138249, Example 12::US9758523, Example 12

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

InChI Key: InChIKey=DQRBVSZZPVKMLV-PHSANKKPSA-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 = 304055   
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))
BDBM304055
PNG
(4-[5-(4-methylphenyl)-3-oxo-8-[(3R)-pyrrolidin-3-y...)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(CC(O)C(F)(F)F)c(=O)n12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C28H26F3N5O3/c1-17-2-6-21(7-3-17)25-22(20-8-4-18(13-32)5-9-20)12-23(39-16-19-10-11-33-14-19)26-34-35(27(38)36(25)26)15-24(37)28(29,30)31/h2-9,12,19,24,33,37H,10-11,14-16H2,1H3/t19-,24?/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 US9758523 (2017)


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


(Homo sapiens (Human))
BDBM304055
PNG
(4-[5-(4-methylphenyl)-3-oxo-8-[(3R)-pyrrolidin-3-y...)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(CC(O)C(F)(F)F)c(=O)n12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C28H26F3N5O3/c1-17-2-6-21(7-3-17)25-22(20-8-4-18(13-32)5-9-20)12-23(39-16-19-10-11-33-14-19)26-34-35(27(38)36(25)26)15-24(37)28(29,30)31/h2-9,12,19,24,33,37H,10-11,14-16H2,1H3/t19-,24?/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