new BindingDB logo
myBDB logout

BDBM50150959 CHEMBL3775581

SMILES: CN(c1ccc(OCC(=O)NO)cc1)c1nc(C)nc2CCCc12

InChI Key: InChIKey=ZDRSRLVZCRYVJO-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 = 50150959   
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))
BDBM50150959
PNG
(CHEMBL3775581)
Show SMILES CN(c1ccc(OCC(=O)NO)cc1)c1nc(C)nc2CCCc12
Show InChI InChI=1S/C17H20N4O3/c1-11-18-15-5-3-4-14(15)17(19-11)21(2)12-6-8-13(9-7-12)24-10-16(22)20-23/h6-9,23H,3-5,10H2,1-2H3,(H,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 264n/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))
BDBM50150959
PNG
(CHEMBL3775581)
Show SMILES CN(c1ccc(OCC(=O)NO)cc1)c1nc(C)nc2CCCc12
Show InChI InChI=1S/C17H20N4O3/c1-11-18-15-5-3-4-14(15)17(19-11)21(2)12-6-8-13(9-7-12)24-10-16(22)20-23/h6-9,23H,3-5,10H2,1-2H3,(H,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 51n/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))
BDBM50150959
PNG
(CHEMBL3775581)
Show SMILES CN(c1ccc(OCC(=O)NO)cc1)c1nc(C)nc2CCCc12
Show InChI InChI=1S/C17H20N4O3/c1-11-18-15-5-3-4-14(15)17(19-11)21(2)12-6-8-13(9-7-12)24-10-16(22)20-23/h6-9,23H,3-5,10H2,1-2H3,(H,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 2.97E+3n/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
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50150959
PNG
(CHEMBL3775581)
Show SMILES CN(c1ccc(OCC(=O)NO)cc1)c1nc(C)nc2CCCc12
Show InChI InChI=1S/C17H20N4O3/c1-11-18-15-5-3-4-14(15)17(19-11)21(2)12-6-8-13(9-7-12)24-10-16(22)20-23/h6-9,23H,3-5,10H2,1-2H3,(H,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 17n/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