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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50040549   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50396014
PNG
(CHEMBL2169888)
Show SMILES N[C@@H]1C[C@H]1c1cc(F)cc(F)c1OCc1ccccc1 |r|
Show InChI InChI=1S/C16H15F2NO/c17-11-6-13(12-8-15(12)19)16(14(18)7-11)20-9-10-4-2-1-3-5-10/h1-7,12,15H,8-9,19H2/t12-,15+/m0/s1
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MCE
PC cid
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Article
PubMed
610n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LSD1


Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50346865
PNG
(2-PFPA | CHEMBL1797642)
Show SMILES NC1CC1c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C9H6F5N/c10-5-4(2-1-3(2)15)6(11)8(13)9(14)7(5)12/h2-3H,1,15H2
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PC cid
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8.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LSD1


Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50396014
PNG
(CHEMBL2169888)
Show SMILES N[C@@H]1C[C@H]1c1cc(F)cc(F)c1OCc1ccccc1 |r|
Show InChI InChI=1S/C16H15F2NO/c17-11-6-13(12-8-15(12)19)16(14(18)7-11)20-9-10-4-2-1-3-5-10/h1-7,12,15H,8-9,19H2/t12-,15+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 990n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LSD1


Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair