BDBM50080074 CHEMBL3415974

SMILES: Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCCCCCCCC(=O)Nc3cc(ccc3N)-c3cccs3)C(O)=O)nc2c(=O)[nH]1

InChI Key:

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 = 50080074   

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))	BDBM50080074 (CHEMBL3415974) Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCCCCCCCC(=O)Nc3cc(ccc3N)-c3cccs3)C(O)=O)nc2c(=O)[nH]1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	309	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of His-tagged HDAC1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry				Eur J Med Chem 96: 340-59 (2015) Article DOI: 10.1016/j.ejmech.2015.04.014 BindingDB Entry DOI: 10.7270/Q269759B
					More data for this Ligand-Target Pair