BDBM65481 Quinolone-based HDAC inhibitor 4r

SMILES: COc1ccc(NC(=O)c2cn(CCCCC(=O)NO)c3ccc(F)cc3c2=O)cc1

InChI Key: InChIKey=SMPWRZCPUDAJMJ-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 = 65481   

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 1/11/4/6/8 (Homo sapiens (Human))	BDBM65481 (Quinolone-based HDAC inhibitor 4r) Show SMILES COc1ccc(NC(=O)c2cn(CCCCC(=O)NO)c3ccc(F)cc3c2=O)cc1 Show InChI InChI=1S/C22H22FN3O5/c1-31-16-8-6-15(7-9-16)24-22(29)18-13-26(11-3-2-4-20(27)25-30)19-10-5-14(23)12-17(19)21(18)28/h5-10,12-13,30H,2-4,11H2,1H3,(H,24,29)(H,25,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals & Pharmaceuticals Limited					Assay Description Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...				J Enzyme Inhib Med Chem 29: 555-62 (2014) Article DOI: 10.3109/14756366.2013.827675 BindingDB Entry DOI: 10.7270/Q22J6916
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