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SMILES: CCc1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12

InChI Key: InChIKey=IZAOUTXTTXDKBE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50464791   
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))		BDBM50464791
PNG
(CHEMBL4281736)
Show SMILES CCc1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12
Show InChI InChI=1S/C21H20N4O2/c1-2-17-20-16(15-5-3-4-6-18(15)24-20)11-19(23-17)22-12-13-7-9-14(10-8-13)21(26)25-27/h3-11,24,27H,2,12H2,1H3,(H,22,23)(H,25,26)
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NCI pathway
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KEGG

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n/an/a 177n/an/an/an/an/an/a



Nantong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin)

Eur J Med Chem 144: 398-409 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.061
BindingDB Entry DOI: 10.7270/Q20004R4
More data for this
Ligand-Target Pair