BDBM50196594 7-(4-((1H-indol-5-yl)methylamino)phenyl1H-indol-5-yl)methylamino)phenoxy)-N-hydroxyheptanamide::CHEMBL216644

SMILES: ONC(=O)CCCCCCOc1ccc(NCc2ccc3[nH]ccc3c2)cc1

InChI Key: InChIKey=YZKQDKYDQWBMDK-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 = 50196594   

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))	BDBM50196594 (7-(4-((1H-indol-5-yl)methylamino)phenyl1H-indol-5-...) Show SMILES ONC(=O)CCCCCCOc1ccc(NCc2ccc3[nH]ccc3c2)cc1 Show InChI InChI=1S/C22H27N3O3/c26-22(25-27)5-3-1-2-4-14-28-20-9-7-19(8-10-20)24-16-17-6-11-21-18(15-17)12-13-23-21/h6-13,15,23-24,27H,1-5,14,16H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description In vitro inhibition of histone deacetylase activity using HeLa cell nuclear extract as enzyme source				Bioorg Med Chem Lett 17: 136-41 (2006) Article DOI: 10.1016/j.bmcl.2006.09.085 BindingDB Entry DOI: 10.7270/Q2B56JDQ
					More data for this Ligand-Target Pair