BDBM50442734 CHEMBL2442694

SMILES: COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccc(OCCCCCCC(=O)Nc3ccccc3N)cc2)c2cc3OCOc3cc12

InChI Key: InChIKey=FVZDLGVIWKVAIO-GHCWVHGPSA-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 = 50442734   

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 3 (Homo sapiens (Human))	BDBM50442734 (CHEMBL2442694) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccc(OCCCCCCC(=O)Nc3ccccc3N)cc2)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C40H43N3O9/c1-47-33-17-23(18-34(48-2)39(33)45)36-26-19-31-32(52-22-51-31)20-27(26)38(28-21-50-40(46)37(28)36)42-24-12-14-25(15-13-24)49-16-8-4-3-5-11-35(44)43-30-10-7-6-9-29(30)41/h6-7,9-10,12-15,17-20,28,36-38,42,45H,3-5,8,11,16,21-22,41H2,1-2H3,(H,43,44)/t28-,36+,37-,38+/m0/s1	PDB 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	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Bioorg Med Chem 21: 6981-95 (2013) Article DOI: 10.1016/j.bmc.2013.09.023 BindingDB Entry DOI: 10.7270/Q2CC124T
					More data for this Ligand-Target Pair