BDBM65470 Quinolone-based HDAC inhibitor 4i

SMILES: Cc1csc(NC(=O)c2cn(CCCCC(=O)NO)c3ccccc3c2=O)n1

InChI Key: InChIKey=PYDXXUNYMCHWEF-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 = 65470   

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))	BDBM65470 (Quinolone-based HDAC inhibitor 4i) Show SMILES Cc1csc(NC(=O)c2cn(CCCCC(=O)NO)c3ccccc3c2=O)n1 Show InChI InChI=1S/C19H20N4O4S/c1-12-11-28-19(20-12)21-18(26)14-10-23(9-5-4-8-16(24)22-27)15-7-3-2-6-13(15)17(14)25/h2-3,6-7,10-11,27H,4-5,8-9H2,1H3,(H,22,24)(H,20,21,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	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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