BDBM50276035 (S)-3-cyano-N-(7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)benzamide::CHEMBL470576

SMILES: CC(=O)CCCCC[C@H](NC(=O)c1cccc(c1)C#N)c1nc(c[nH]1)-c1ccccc1

InChI Key: InChIKey=GAMKVCYAHPXDHQ-QFIPXVFZSA-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 = 50276035   

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))	BDBM50276035 ((S)-3-cyano-N-(7-oxo-1-(5-phenyl-1H-imidazol-2-yl)...) Show SMILES CC(=O)CCCCC[C@H](NC(=O)c1cccc(c1)C#N)c1nc(c[nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C25H26N4O2/c1-18(30)9-4-2-7-14-22(29-25(31)21-13-8-10-19(15-21)16-26)24-27-17-23(28-24)20-11-5-3-6-12-20/h3,5-6,8,10-13,15,17,22H,2,4,7,9,14H2,1H3,(H,27,28)(H,29,31)/t22-/m0/s1	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	160	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminally flag tagged HDAC1				Bioorg Med Chem Lett 18: 5528-32 (2008) Article DOI: 10.1016/j.bmcl.2008.09.003 BindingDB Entry DOI: 10.7270/Q24T6K81
					More data for this Ligand-Target Pair