BDBM50354831 CHEMBL1833976

SMILES: CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCCC(=O)C(F)(F)F)NC(=O)[C@H]2CCCN2C1=O

InChI Key: InChIKey=JWEUAXYYHBPUQY-SIZHRBNOSA-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 = 50354831   

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))	BDBM50354831 (CHEMBL1833976) Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCCC(=O)C(F)(F)F)NC(=O)[C@H]2CCCN2C1=O |r| Show InChI InChI=1S/C30H41F3N4O6/c1-4-18(2)25-29(42)37-16-8-10-23(37)28(41)34-21(9-6-5-7-11-24(38)30(31,32)33)26(39)35-22(27(40)36-25)17-19-12-14-20(43-3)15-13-19/h12-15,18,21-23,25H,4-11,16-17H2,1-3H3,(H,34,41)(H,35,39)(H,36,40)/t18-,21+,22-,23-,25+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Drexel University Curated by ChEMBL					Assay Description Inhibition of HDAC8				Bioorg Med Chem Lett 21: 5854-8 (2011) Article DOI: 10.1016/j.bmcl.2011.07.100 BindingDB Entry DOI: 10.7270/Q2KS6RZR
					More data for this Ligand-Target Pair