BDBM120969 US8716285, 26

SMILES: Cc1cncc(c1)-c1ccnc(NC2CCc3ccc(cc3C2)C(=O)NO)n1

InChI Key: InChIKey=RCQLBXRWYJZYRA-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 = 120969   

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 8 (Homo sapiens (Human))	BDBM120969 (US8716285, 26) Show SMILES Cc1cncc(c1)-c1ccnc(NC2CCc3ccc(cc3C2)C(=O)NO)n1 Show InChI InChI=1S/C21H21N5O2/c1-13-8-17(12-22-11-13)19-6-7-23-21(25-19)24-18-5-4-14-2-3-15(20(27)26-28)9-16(14)10-18/h2-3,6-9,11-12,18,28H,4-5,10H2,1H3,(H,26,27)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Compounds were tested for their ability to inhibit histone deacetylase 8 using an in vitro deacetylation assay. In a detailed procedure, 8 μl o...				US Patent US8716285 (2014) BindingDB Entry DOI: 10.7270/Q2K072XG
					More data for this Ligand-Target Pair