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BDBM50196607 7-(4-(3-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)propanamido)phenyl1H-indol-3-yl)-N-(pyridin-4-ylmethyl)propanamido)phenoxy)-N-hydroxyheptanamide::CHEMBL441858

SMILES: ONC(=O)CCCCCCOc1ccc(cc1)N(Cc1ccncc1)C(=O)CCc1c[nH]c2ccccc12

InChI Key: InChIKey=JSTQHCMNAAOJKV-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50196607   
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))
BDBM50196607
PNG
(7-(4-(3-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)prop...)
Show SMILES ONC(=O)CCCCCCOc1ccc(cc1)N(Cc1ccncc1)C(=O)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C30H34N4O4/c35-29(33-37)9-3-1-2-6-20-38-26-13-11-25(12-14-26)34(22-23-16-18-31-19-17-23)30(36)15-10-24-21-32-28-8-5-4-7-27(24)28/h4-5,7-8,11-14,16-19,21,32,37H,1-3,6,9-10,15,20,22H2,(H,33,35)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
In vitro inhibition of histone deacetylase activity using HeLa cell nuclear extract as enzyme source


Bioorg Med Chem Lett 17: 136-41 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.085
BindingDB Entry DOI: 10.7270/Q2B56JDQ
More data for this
Ligand-Target Pair