BindingDB logo
myBDB logout

BDBM50149911 CHEMBL3770732

SMILES: O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2ncccc12

InChI Key: InChIKey=WUATWIOJLCSPRQ-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50149911   
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))
BDBM50149911
PNG
(CHEMBL3770732)
Show SMILES O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2ncccc12
Show InChI InChI=1S/C17H13N5O2/c23-16-14-7-4-8-18-15(14)20-17(21-16)24-13-9-19-22(11-13)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,20,21,23)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human KDM4C expressed in Escherichia coli BL21(DE3) using trimethylated peptide substrate by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM50149911
PNG
(CHEMBL3770732)
Show SMILES O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2ncccc12
Show InChI InChI=1S/C17H13N5O2/c23-16-14-7-4-8-18-15(14)20-17(21-16)24-13-9-19-22(11-13)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,20,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KDM5C transfected in U2OS cells assessed as inhibition of H3K9Me3 demethylation for 24 hrs


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Egl nine homolog 3


(Homo sapiens (Human))
BDBM50149911
PNG
(CHEMBL3770732)
Show SMILES O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2ncccc12
Show InChI InChI=1S/C17H13N5O2/c23-16-14-7-4-8-18-15(14)20-17(21-16)24-13-9-19-22(11-13)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,20,21,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full-length EGLN3 (unknown origin) expressed in Escherichia coli BL21(DE3) cells by HTRF assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50149911
PNG
(CHEMBL3770732)
Show SMILES O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2ncccc12
Show InChI InChI=1S/C17H13N5O2/c23-16-14-7-4-8-18-15(14)20-17(21-16)24-13-9-19-22(11-13)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,20,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin) by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50149911
PNG
(CHEMBL3770732)
Show SMILES O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2ncccc12
Show InChI InChI=1S/C17H13N5O2/c23-16-14-7-4-8-18-15(14)20-17(21-16)24-13-9-19-22(11-13)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,20,21,23)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of KDM4D (unknown origin) by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50149911
PNG
(CHEMBL3770732)
Show SMILES O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2ncccc12
Show InChI InChI=1S/C17H13N5O2/c23-16-14-7-4-8-18-15(14)20-17(21-16)24-13-9-19-22(11-13)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,20,21,23)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged full-length human KDM4C transfected in U2OS cells assessed as inhibition of H3K9Me3 demethylation for 24 hrs


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50149911
PNG
(CHEMBL3770732)
Show SMILES O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2ncccc12
Show InChI InChI=1S/C17H13N5O2/c23-16-14-7-4-8-18-15(14)20-17(21-16)24-13-9-19-22(11-13)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,20,21,23)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of KDM6B (unknown origin) by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50149911
PNG
(CHEMBL3770732)
Show SMILES O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2ncccc12
Show InChI InChI=1S/C17H13N5O2/c23-16-14-7-4-8-18-15(14)20-17(21-16)24-13-9-19-22(11-13)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,20,21,23)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of KDM4A (unknown origin) by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM50149911
PNG
(CHEMBL3770732)
Show SMILES O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2ncccc12
Show InChI InChI=1S/C17H13N5O2/c23-16-14-7-4-8-18-15(14)20-17(21-16)24-13-9-19-22(11-13)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,20,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.16E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of KDM5C catalytic domain (1 -764 aa) (unknown origin) expressed in Sf9 cells using H3K4Me3 peptide as substrate by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair