BDBM50373689 CHEMBL271862

SMILES: COc1ccc(cc1OC)-c1ccnc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1

InChI Key: InChIKey=HBRMORUNTHMOAD-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 = 50373689   

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))	BDBM50373689 (CHEMBL271862) Show SMILES COc1ccc(cc1OC)-c1ccnc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1 Show InChI InChI=1S/C26H25N5O3/c1-33-23-12-11-19(15-24(23)34-2)21-13-14-28-26(31-21)29-16-17-7-9-18(10-8-17)25(32)30-22-6-4-3-5-20(22)27/h3-15H,16,27H2,1-2H3,(H,30,32)(H,28,29,31)	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	50	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