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BDBM50153179 CHEMBL3775933

SMILES: OC(=O)c1ccnc(c1)-c1cscn1

InChI Key: InChIKey=VHUXANZSWRXPQK-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50153179   
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 demethylase 5B


(Homo sapiens (Human))
BDBM50153179
PNG
(CHEMBL3775933)
Show SMILES OC(=O)c1ccnc(c1)-c1cscn1
Show InChI InChI=1S/C9H6N2O2S/c12-9(13)6-1-2-10-7(3-6)8-4-14-5-11-8/h1-5H,(H,12,13)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 98n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens)
BDBM50153179
PNG
(CHEMBL3775933)
Show SMILES OC(=O)c1ccnc(c1)-c1cscn1
Show InChI InChI=1S/C9H6N2O2S/c12-9(13)6-1-2-10-7(3-6)8-4-14-5-11-8/h1-5H,(H,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 122n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50153179
PNG
(CHEMBL3775933)
Show SMILES OC(=O)c1ccnc(c1)-c1cscn1
Show InChI InChI=1S/C9H6N2O2S/c12-9(13)6-1-2-10-7(3-6)8-4-14-5-11-8/h1-5H,(H,12,13)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 900n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4B


(Homo sapiens)
BDBM50153179
PNG
(CHEMBL3775933)
Show SMILES OC(=O)c1ccnc(c1)-c1cscn1
Show InChI InChI=1S/C9H6N2O2S/c12-9(13)6-1-2-10-7(3-6)8-4-14-5-11-8/h1-5H,(H,12,13)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me3 as s...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair