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SMILES: CC(=O)CCCCC[C@H](NC(=O)c1snnc1C)C(=O)Nc1cccc(Cl)c1

InChI Key: InChIKey=KNHPYEJPCJWNMZ-INIZCTEOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50195120   
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))		BDBM50195120
PNG
((S)-N-(1-(3-chlorophenylamino)-1,8-dioxononan-2-yl...)
Show SMILES CC(=O)CCCCC[C@H](NC(=O)c1snnc1C)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C19H23ClN4O3S/c1-12(25)7-4-3-5-10-16(22-19(27)17-13(2)23-24-28-17)18(26)21-15-9-6-8-14(20)11-15/h6,8-9,11,16H,3-5,7,10H2,1-2H3,(H,21,26)(H,22,27)/t16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



IRBM/Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (mean IC50)

Bioorg Med Chem Lett 16: 5948-52 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.002
BindingDB Entry DOI: 10.7270/Q2RN38PD
More data for this
Ligand-Target Pair