BDBM50346757 CHEMBL1797977

SMILES: ONC(=O)COc1ccc2C[C@H](N(Cc2c1)C(=O)CCc1ccccc1)C(=O)NCCc1ccccc1

InChI Key: InChIKey=MTSUXDMDZHIFBC-SANMLTNESA-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 = 50346757   

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))	BDBM50346757 (CHEMBL1797977) Show SMILES ONC(=O)COc1ccc2C[C@H](N(Cc2c1)C(=O)CCc1ccccc1)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C29H31N3O5/c33-27(31-36)20-37-25-13-12-23-18-26(29(35)30-16-15-22-9-5-2-6-10-22)32(19-24(23)17-25)28(34)14-11-21-7-3-1-4-8-21/h1-10,12-13,17,26,36H,11,14-16,18-20H2,(H,30,35)(H,31,33)/t26-/m0/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	692	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 after 30 mins by fluorescence microplate reader				J Med Chem 54: 2823-38 (2011) Article DOI: 10.1021/jm101605z BindingDB Entry DOI: 10.7270/Q2154HDR
					More data for this Ligand-Target Pair