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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50218931'   
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


(Homo sapiens (Human))		BDBM50218931
PNG
(CHEMBL1793992)
Show SMILES [H][C@](C)(CC)[C@]1([H])NC(=O)[C@]([H])(Cc2cn(CCN)c3ccccc23)NC(=O)[C@]([H])(CCCCCC(=O)CC)NC(=O)[C@@]2([H])CCCCN2C1=O
Show InChI InChI=1S/C35H52N6O5/c1-4-23(3)31-35(46)41-19-12-11-17-30(41)34(45)37-27(15-8-6-7-13-25(42)5-2)32(43)38-28(33(44)39-31)21-24-22-40(20-18-36)29-16-10-9-14-26(24)29/h9-10,14,16,22-23,27-28,30-31H,4-8,11-13,15,17-21,36H2,1-3H3,(H,37,45)(H,38,43)(H,39,44)/t23-,27-,28-,30+,31-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme derived from partially purified extracts of human HeLa cells using [3H]11 as radioligan...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair