null

SMILES: ONC(=O)C=Cc1ccc2nc(CCc3ccccc3)[nH]c2c1

InChI Key: InChIKey=PPAPPIJCDNZARX-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50248316   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248316 (CHEMBL515906 | N-hydroxy-3-(2-phenethyl-1H-benzo[d...) Show SMILES ONC(=O)C=Cc1ccc2nc(CCc3ccccc3)[nH]c2c1 |w:5.5| Show InChI InChI=1S/C18H17N3O2/c22-18(21-23)11-8-14-6-9-15-16(12-14)20-17(19-15)10-7-13-4-2-1-3-5-13/h1-6,8-9,11-12,23H,7,10H2,(H,19,20)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 by fluorimetric assay				Bioorg Med Chem Lett 19: 1403-8 (2009) Article DOI: 10.1016/j.bmcl.2009.01.041 BindingDB Entry DOI: 10.7270/Q2FT8KX3
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248316 (CHEMBL515906 | N-hydroxy-3-(2-phenethyl-1H-benzo[d...) Show SMILES ONC(=O)C=Cc1ccc2nc(CCc3ccccc3)[nH]c2c1 |w:5.5| Show InChI InChI=1S/C18H17N3O2/c22-18(21-23)11-8-14-6-9-15-16(12-14)20-17(19-15)10-7-13-4-2-1-3-5-13/h1-6,8-9,11-12,23H,7,10H2,(H,19,20)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair