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BDBM304048 (R)-4-(2-(cyanomethyl)-3-oxo-8-(pyrrolidin-3-ylmethoxy)-5-p-tolyl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzonitrile::US10138249, Example 5::US9758523, Example 5

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

InChI Key: InChIKey=COOCUXQIKSJKKE-HXUWFJFHSA-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 = 304048   
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))
BDBM304048
PNG
((R)-4-(2-(cyanomethyl)-3-oxo-8-(pyrrolidin-3-ylmet...)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(CC#N)c(=O)n12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C27H24N6O2/c1-18-2-6-22(7-3-18)25-23(21-8-4-19(15-29)5-9-21)14-24(35-17-20-10-12-30-16-20)26-31-32(13-11-28)27(34)33(25)26/h2-9,14,20,30H,10,12-13,16-17H2,1H3/t20-/m1/s1
PDB
MMDB

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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))
BDBM304048
PNG
((R)-4-(2-(cyanomethyl)-3-oxo-8-(pyrrolidin-3-ylmet...)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(CC#N)c(=O)n12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C27H24N6O2/c1-18-2-6-22(7-3-18)25-23(21-8-4-19(15-29)5-9-21)14-24(35-17-20-10-12-30-16-20)26-31-32(13-11-28)27(34)33(25)26/h2-9,14,20,30H,10,12-13,16-17H2,1H3/t20-/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