BDBM50373675 CHEMBL404054

SMILES: Nc1nc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)nc(NC2Cc3ccccc3C2)n1

InChI Key: InChIKey=WEGZAQQQNAZHTD-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 = 50373675   

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))	BDBM50373675 (CHEMBL404054) Show SMILES Nc1nc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)nc(NC2Cc3ccccc3C2)n1 Show InChI InChI=1S/C26H26N8O/c27-21-7-3-4-8-22(21)31-23(35)17-11-9-16(10-12-17)15-29-25-32-24(28)33-26(34-25)30-20-13-18-5-1-2-6-19(18)14-20/h1-12,20H,13-15,27H2,(H,31,35)(H4,28,29,30,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1				Bioorg Med Chem Lett 18: 1067-71 (2008) Article DOI: 10.1016/j.bmcl.2007.12.009 BindingDB Entry DOI: 10.7270/Q2ZW1MSD
					More data for this Ligand-Target Pair