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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 5' and Ligand = 'BDBM50374011'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Histone deacetylase 5


(Homo sapiens (Human))		BDBM50374011
PNG
(CHEMBL437029)
Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1ccccc1
Show InChI InChI=1S/C31H31N5O3/c1-22-20-35(16-17-36(22)31(38)39-21-23-8-4-2-5-9-23)29-15-13-26(19-33-29)30(37)34-28-18-25(12-14-27(28)32)24-10-6-3-7-11-24/h2-15,18-19,22H,16-17,20-21,32H2,1H3,(H,34,37)/t22-/m0/s1
KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC5

Bioorg Med Chem Lett 18: 973-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.031
BindingDB Entry DOI: 10.7270/Q2765G5S
More data for this
Ligand-Target Pair