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BDBM304053 4-{5-(4-methylphenyl)-2-(2-morpholin-4-ylethyl)-3-oxo-8-[(3R)-pyrrolidin-3-ylmethoxy]-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridin-6-yl}benzonitrile::US10138249, Example 10::US9758523, Example 10

SMILES: Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(CCN3CCOCC3)c(=O)n12)-c1ccc(cc1)C#N

InChI Key: InChIKey=FRPPSEOMNGKDKC-XMMPIXPASA-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 = 304053   
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))
BDBM304053
PNG
(4-{5-(4-methylphenyl)-2-(2-morpholin-4-ylethyl)-3-...)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(CCN3CCOCC3)c(=O)n12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C31H34N6O3/c1-22-2-6-26(7-3-22)29-27(25-8-4-23(19-32)5-9-25)18-28(40-21-24-10-11-33-20-24)30-34-36(31(38)37(29)30)13-12-35-14-16-39-17-15-35/h2-9,18,24,33H,10-17,20-21H2,1H3/t24-/m1/s1
PDB
MMDB

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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
BindingDB Entry DOI: 10.7270/Q2MP55C0
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM304053
PNG
(4-{5-(4-methylphenyl)-2-(2-morpholin-4-ylethyl)-3-...)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(CCN3CCOCC3)c(=O)n12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C31H34N6O3/c1-22-2-6-26(7-3-22)29-27(25-8-4-23(19-32)5-9-25)18-28(40-21-24-10-11-33-20-24)30-34-36(31(38)37(29)30)13-12-35-14-16-39-17-15-35/h2-9,18,24,33H,10-17,20-21H2,1H3/t24-/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
BindingDB Entry DOI: 10.7270/Q2GB2630
More data for this
Ligand-Target Pair