BindingDB logo
myBDB logout

null

SMILES: O=c1[nH]cnc2c(CN3CCN(CC3)c3ccccc3)nccc12

InChI Key: InChIKey=RLKIMBNWOBEMJO-UHFFFAOYSA-N

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 = 50153120   
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))
BDBM50153120
PNG
(CHEMBL3775295)
Show SMILES O=c1[nH]cnc2c(CN3CCN(CC3)c3ccccc3)nccc12
Show InChI InChI=1S/C18H19N5O/c24-18-15-6-7-19-16(17(15)20-13-21-18)12-22-8-10-23(11-9-22)14-4-2-1-3-5-14/h1-7,13H,8-12H2,(H,20,21,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.90E+3n/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 (Human))
BDBM50153120
PNG
(CHEMBL3775295)
Show SMILES O=c1[nH]cnc2c(CN3CCN(CC3)c3ccccc3)nccc12
Show InChI InChI=1S/C18H19N5O/c24-18-15-6-7-19-16(17(15)20-13-21-18)12-22-8-10-23(11-9-22)14-4-2-1-3-5-14/h1-7,13H,8-12H2,(H,20,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/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))
BDBM50153120
PNG
(CHEMBL3775295)
Show SMILES O=c1[nH]cnc2c(CN3CCN(CC3)c3ccccc3)nccc12
Show InChI InChI=1S/C18H19N5O/c24-18-15-6-7-19-16(17(15)20-13-21-18)12-22-8-10-23(11-9-22)14-4-2-1-3-5-14/h1-7,13H,8-12H2,(H,20,21,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/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 (Human))
BDBM50153120
PNG
(CHEMBL3775295)
Show SMILES O=c1[nH]cnc2c(CN3CCN(CC3)c3ccccc3)nccc12
Show InChI InChI=1S/C18H19N5O/c24-18-15-6-7-19-16(17(15)20-13-21-18)12-22-8-10-23(11-9-22)14-4-2-1-3-5-14/h1-7,13H,8-12H2,(H,20,21,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.15E+4n/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