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SMILES: CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2coc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2

InChI Key: InChIKey=IPARVOCXYHGAKB-BNVDZZMOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50441497   
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 3


(Homo sapiens (Human))		BDBM50441497
PNG
(CHEMBL2436595)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2coc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11|
Show InChI InChI=1S/C21H28N4O5S2/c1-12(2)17-19(27)30-13(6-4-5-7-31)8-15(26)22-9-16-23-14(10-29-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,31H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1
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Article
PubMed
n/an/a 7.20n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) using MAZ1600 and MAZ1675 as substrate assessed as fluorogenic release of 7-amino-4-methylcoumarin from substrat...

Bioorg Med Chem Lett 23: 6025-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.012
BindingDB Entry DOI: 10.7270/Q2Q241PQ
More data for this
Ligand-Target Pair