BDBM50354797 CHEMBL1834477

SMILES: ONC(=O)c1cnc(Nc2nnc(s2)-c2ccc(F)cc2)nc1

InChI Key: InChIKey=ZPILRIXETBVVOC-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50354797   

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))	BDBM50354797 (CHEMBL1834477) Show SMILES ONC(=O)c1cnc(Nc2nnc(s2)-c2ccc(F)cc2)nc1 Show InChI InChI=1S/C13H9FN6O2S/c14-9-3-1-7(2-4-9)11-18-19-13(23-11)17-12-15-5-8(6-16-12)10(21)20-22/h1-6,22H,(H,20,21)(H,15,16,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Guru Ghasidas University Curated by ChEMBL					Assay Description Inhibition of HDAC1 by fluorescent activity assay				Bioorg Med Chem Lett 21: 5735-8 (2011) Article DOI: 10.1016/j.bmcl.2011.08.022 BindingDB Entry DOI: 10.7270/Q2028RZ0
					More data for this Ligand-Target Pair