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BDBM50151378 CHEMBL3775521

SMILES: CN(c1ccc(OCC(=O)NO)cc1)c1nc(C)nc2ccccc12

InChI Key: InChIKey=MPMPKDWQOVDGGV-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

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 = 50151378   
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50151378
PNG
(CHEMBL3775521)
Show SMILES CN(c1ccc(OCC(=O)NO)cc1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C18H18N4O3/c1-12-19-16-6-4-3-5-15(16)18(20-12)22(2)13-7-9-14(10-8-13)25-11-17(23)21-24/h3-10,24H,11H2,1-2H3,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 172n/an/an/an/an/an/a



Sichuan University

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: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50151378
PNG
(CHEMBL3775521)
Show SMILES CN(c1ccc(OCC(=O)NO)cc1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C18H18N4O3/c1-12-19-16-6-4-3-5-15(16)18(20-12)22(2)13-7-9-14(10-8-13)25-11-17(23)21-24/h3-10,24H,11H2,1-2H3,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 26n/an/an/an/a



Sichuan University

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: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50151378
PNG
(CHEMBL3775521)
Show SMILES CN(c1ccc(OCC(=O)NO)cc1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C18H18N4O3/c1-12-19-16-6-4-3-5-15(16)18(20-12)22(2)13-7-9-14(10-8-13)25-11-17(23)21-24/h3-10,24H,11H2,1-2H3,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.18E+3n/an/an/an/an/an/a



Sichuan University

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: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50151378
PNG
(CHEMBL3775521)
Show SMILES CN(c1ccc(OCC(=O)NO)cc1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C18H18N4O3/c1-12-19-16-6-4-3-5-15(16)18(20-12)22(2)13-7-9-14(10-8-13)25-11-17(23)21-24/h3-10,24H,11H2,1-2H3,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8.60n/an/an/an/an/an/a



Sichuan University

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: 1455-70 (2016)

More data for this
Ligand-Target Pair