null

SMILES: Cc1ccc(N)c(NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2)c1

InChI Key: InChIKey=JNPCPBSIXLFGOT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50472342   

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))	BDBM50472342 (CHEMBL101167) Show SMILES Cc1ccc(N)c(NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2)c1 Show InChI InChI=1S/C22H22N4O3/c1-15-4-9-19(23)20(11-15)26-21(27)18-7-5-16(6-8-18)13-25-22(28)29-14-17-3-2-10-24-12-17/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	2.80E+3	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))	BDBM50472342 (CHEMBL101167) Show SMILES Cc1ccc(N)c(NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2)c1 Show InChI InChI=1S/C22H22N4O3/c1-15-4-9-19(23)20(11-15)26-21(27)18-7-5-16(6-8-18)13-25-22(28)29-14-17-3-2-10-24-12-17/h2-12H,13-14,23H2,1H3,(H,25,28)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	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