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SMILES: CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc2cc(OC)ncc2c1

InChI Key: InChIKey=VJGFGCINFNGXCT-IBGZPJMESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50175063   
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))		BDBM50175063
PNG
(CHEMBL3808977)
Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc2cc(OC)ncc2c1 |r|
Show InChI InChI=1S/C25H28N6O3S/c1-26-22(32)7-5-3-4-6-19(31-25(33)21-14-27-15-35-21)24-29-13-20(30-24)17-9-8-16-11-23(34-2)28-12-18(16)10-17/h8-15,19H,3-7H2,1-2H3,(H,26,32)(H,29,30)(H,31,33)/t19-/m0/s1
PDB
MMDB

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KEGG

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CHEMBL
PC cid
PC sid
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PubMed
n/an/a 390n/an/an/an/an/an/a



IRBM Science Park

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce...

ACS Med Chem Lett 7: 454-9 (2016)


BindingDB Entry DOI: 10.7270/Q2S184FM
More data for this
Ligand-Target Pair