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BDBM50075571 CHEMBL3415355

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

InChI Key: InChIKey=PPAFHVVXVBNYNY-UHFFFAOYSA-N

Data: 1 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 3 hits for monomerid = 50075571   
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))
BDBM50075571
PNG
(CHEMBL3415355)
Show SMILES NC(=S)NNc1nc(SCC#C)nc(-c2ccc(F)cc2)c1C#N
Show InChI InChI=1S/C15H11FN6S2/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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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.82E+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
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50075571
PNG
(CHEMBL3415355)
Show SMILES NC(=S)NNc1nc(SCC#C)nc(-c2ccc(F)cc2)c1C#N
Show InChI InChI=1S/C15H11FN6S2/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
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.82E+3n/an/an/an/an/an/a



Collaborative Innovation Center of New Drug Research and Safety Evaluation, Henan Province, Key Laboratory of Technology of Drug Preparation (Zhengzhou University), Ministry of Education of China, Ke

Curated by ChEMBL




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


Article DOI: 10.1016/j.bmcl.2017.05.065
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50075571
PNG
(CHEMBL3415355)
Show SMILES NC(=S)NNc1nc(SCC#C)nc(-c2ccc(F)cc2)c1C#N
Show InChI InChI=1S/C15H11FN6S2/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
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.82E+3n/an/an/an/an/an/a



Collaborative Innovation Center of New Drug Research and Safety Evaluation, Henan Province, Key Laboratory of Technology of Drug Preparation (Zhengzhou University), Ministry of Education of China, Ke

Curated by ChEMBL




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


Article DOI: 10.1016/j.bmcl.2017.05.065
More data for this
Ligand-Target Pair