BDBM50248810 CHEMBL4102954

SMILES: COc1ccc(COc2ccc3cc(C(=O)NCc4ccc(cc4)C(=O)Nc4ccccc4N)c(=O)oc3c2)cc1

InChI Key: InChIKey=BBWKZRYIKXMQTO-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 = 50248810   

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 1 (Homo sapiens (Human))	BDBM50248810 (CHEMBL4102954) Show SMILES COc1ccc(COc2ccc3cc(C(=O)NCc4ccc(cc4)C(=O)Nc4ccccc4N)c(=O)oc3c2)cc1 Show InChI InChI=1S/C32H27N3O6/c1-39-24-13-8-21(9-14-24)19-40-25-15-12-23-16-26(32(38)41-29(23)17-25)31(37)34-18-20-6-10-22(11-7-20)30(36)35-28-5-3-2-4-27(28)33/h2-17H,18-19,33H2,1H3,(H,34,37)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using deacetylase fluorogenic substrate pretreated for 5 mins followed by substrate addition after 30 mins by fl...				Eur J Med Chem 132: 42-62 (2017) Article DOI: 10.1016/j.ejmech.2017.03.024 BindingDB Entry DOI: 10.7270/Q2NC63MW
					More data for this Ligand-Target Pair