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BDBM50387110 CHEMBL2047617

SMILES: [O-][N+](=O)c1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccccc1)-c1ccccc1

InChI Key: InChIKey=CDZMZPXWDKACEV-SSZFMOIBSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50387110   
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 2


(Homo sapiens (Human))
BDBM50387110
PNG
(CHEMBL2047617)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H18N4O3/c29-23(25-20-7-3-1-4-8-20)16-13-19-17-27(21-9-5-2-6-10-21)26-24(19)18-11-14-22(15-12-18)28(30)31/h1-17H,(H,25,29)/b16-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.15E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis


Bioorg Med Chem 20: 4430-6 (2012)


Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50387110
PNG
(CHEMBL2047617)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H18N4O3/c29-23(25-20-7-3-1-4-8-20)16-13-19-17-27(21-9-5-2-6-10-21)26-24(19)18-11-14-22(15-12-18)28(30)31/h1-17H,(H,25,29)/b16-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 920n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis


Bioorg Med Chem 20: 4430-6 (2012)


Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D
More data for this
Ligand-Target Pair