null

SMILES: COc1ccc(NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2)c(N)c1

InChI Key: InChIKey=PHTXCUZYAWQMQL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50472336   

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))	BDBM50472336 (CHEMBL321105) Show SMILES COc1ccc(NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2)c(N)c1 Show InChI InChI=1S/C22H22N4O4/c1-29-18-8-9-20(19(23)11-18)26-21(27)17-6-4-15(5-7-17)13-25-22(28)30-14-16-3-2-10-24-12-16/h2-12H,13-14,23H2,1H3,(H,25,28)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Homo sapiens (human) HDAC8				Citation and Details Article DOI: 10.1007/s00044-011-9571-y BindingDB Entry DOI: 10.7270/Q2KH0R79
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50472336 (CHEMBL321105) Show SMILES COc1ccc(NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2)c(N)c1 Show InChI InChI=1S/C22H22N4O4/c1-29-18-8-9-20(19(23)11-18)26-21(27)17-6-4-15(5-7-17)13-25-22(28)30-14-16-3-2-10-24-12-16/h2-12H,13-14,23H2,1H3,(H,25,28)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsui Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against partially purified histone deacetylase of human leukemia K562 cells.				J Med Chem 42: 3001-3 (1999) Article DOI: 10.1021/jm980565u BindingDB Entry DOI: 10.7270/Q22Z1885
					More data for this Ligand-Target Pair