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BDBM50158862 CHEMBL3786275

SMILES: OC(=O)c1cnnc(CNCC(=O)N2CCCCC2)c1

InChI Key: InChIKey=ROLOXANLBFDXOZ-UHFFFAOYSA-N

Data: 3 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 = 50158862   
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 4C


(Homo sapiens (Human))
BDBM50158862
PNG
(CHEMBL3786275)
Show SMILES OC(=O)c1cnnc(CNCC(=O)N2CCCCC2)c1
Show InChI InChI=1S/C13H18N4O3/c18-12(17-4-2-1-3-5-17)9-14-8-11-6-10(13(19)20)7-15-16-11/h6-7,14H,1-5,8-9H2,(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<250n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM4C (1 to 349 residues) (unknown origin) expressed in Escherichia coli using biotinylated histone H3 as substrate preincubated for 10...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6A


(Homo sapiens (Human))
BDBM50158862
PNG
(CHEMBL3786275)
Show SMILES OC(=O)c1cnnc(CNCC(=O)N2CCCCC2)c1
Show InChI InChI=1S/C13H18N4O3/c18-12(17-4-2-1-3-5-17)9-14-8-11-6-10(13(19)20)7-15-16-11/h6-7,14H,1-5,8-9H2,(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM6A (919 to 1401 residues) (unknown origin) expressed in Escherichia coli using biotinylated histone H3 as substrate preincubated for...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50158862
PNG
(CHEMBL3786275)
Show SMILES OC(=O)c1cnnc(CNCC(=O)N2CCCCC2)c1
Show InChI InChI=1S/C13H18N4O3/c18-12(17-4-2-1-3-5-17)9-14-8-11-6-10(13(19)20)7-15-16-11/h6-7,14H,1-5,8-9H2,(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<250n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (1 to 809 residues) (unknown origin) expressed in Escherichia coli using biotin-H3K4me3 as substrate preincubated for 10 mins fol...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair