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SMILES: CC(Oc1cc(nn1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1)C(N)=O

InChI Key: InChIKey=GXWUBLOAKXBSNV-TYZXPVIJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50242947   
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))
BDBM50242947
PNG
(CHEMBL4083993)
Show SMILES CC(Oc1cc(nn1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1)C(N)=O |r|
Show InChI InChI=1S/C19H22N6O3/c1-12(18(22)26)28-17-9-16(19(27)24-8-2-3-14(21)11-24)23-25(17)15-6-4-13(10-20)5-7-15/h4-7,9,12,14H,2-3,8,11,21H2,1H3,(H2,22,26)/t12?,14-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.90E+3n/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Reversible inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli by SPR analysis


Bioorg Med Chem Lett 27: 3190-3195 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.018
BindingDB Entry DOI: 10.7270/Q2M047W8
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50242947
PNG
(CHEMBL4083993)
Show SMILES CC(Oc1cc(nn1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1)C(N)=O |r|
Show InChI InChI=1S/C19H22N6O3/c1-12(18(22)26)28-17-9-16(19(27)24-8-2-3-14(21)11-24)23-25(17)15-6-4-13(10-20)5-7-15/h4-7,9,12,14H,2-3,8,11,21H2,1H3,(H2,22,26)/t12?,14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using Histone H3(1 to 21)K4(Me1) biotin...


Bioorg Med Chem Lett 27: 3190-3195 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.018
BindingDB Entry DOI: 10.7270/Q2M047W8
More data for this
Ligand-Target Pair