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BDBM50075562 CHEMBL3415362

SMILES: NC(=O)NNc1nc(SCC#C)nc(-c2ccc(Cl)cc2)c1C#N

InChI Key: InChIKey=XTCJNMWJYBEPKQ-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50075562   
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))
BDBM50075562
PNG
(CHEMBL3415362)
Show SMILES NC(=O)NNc1nc(SCC#C)nc(-c2ccc(Cl)cc2)c1C#N
Show InChI InChI=1S/C15H11ClN6OS/c1-2-7-24-15-19-12(9-3-5-10(16)6-4-9)11(8-17)13(20-15)21-22-14(18)23/h1,3-6H,7H2,(H3,18,22,23)(H,19,20,21)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.64E+3n/an/an/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of recombinant LSD1 (157 to 852) (unknown origin) transfected in Escherichia coli BL21(DE) by fluorescence assay


J Med Chem 58: 1705-16 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00037
BindingDB Entry DOI: 10.7270/Q2CC12CZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50075562
PNG
(CHEMBL3415362)
Show SMILES NC(=O)NNc1nc(SCC#C)nc(-c2ccc(Cl)cc2)c1C#N
Show InChI InChI=1S/C15H11ClN6OS/c1-2-7-24-15-19-12(9-3-5-10(16)6-4-9)11(8-17)13(20-15)21-22-14(18)23/h1,3-6H,7H2,(H3,18,22,23)(H,19,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.64E+3n/an/an/an/an/an/a



Key Laboratory of Technology of Drug Preparation (Zhengzhou University)

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


Bioorg Med Chem Lett 27: 3521-3528 (2017)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50075562
PNG
(CHEMBL3415362)
Show SMILES NC(=O)NNc1nc(SCC#C)nc(-c2ccc(Cl)cc2)c1C#N
Show InChI InChI=1S/C15H11ClN6OS/c1-2-7-24-15-19-12(9-3-5-10(16)6-4-9)11(8-17)13(20-15)21-22-14(18)23/h1,3-6H,7H2,(H3,18,22,23)(H,19,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.64E+3n/an/an/an/an/an/a



Key Laboratory of Technology of Drug Preparation (Zhengzhou University)

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


Bioorg Med Chem Lett 27: 3521-3528 (2017)

More data for this
Ligand-Target Pair