BDBM50275335 (S)-2-(4-methylpiperazin-1-yl)-N-(7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)acetamide::CHEMBL486976

SMILES: CN1CCN(CC(=O)N[C@@H](CCCCCC(C)=O)c2nc(c[nH]2)-c2ccccc2)CC1

InChI Key: InChIKey=DVRMJBBYHFIUML-NRFANRHFSA-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 = 50275335   

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))	BDBM50275335 ((S)-2-(4-methylpiperazin-1-yl)-N-(7-oxo-1-(5-pheny...) Show SMILES CN1CCN(CC(=O)N[C@@H](CCCCCC(C)=O)c2nc(c[nH]2)-c2ccccc2)CC1 |r| Show InChI InChI=1S/C24H35N5O2/c1-19(30)9-5-3-8-12-21(26-23(31)18-29-15-13-28(2)14-16-29)24-25-17-22(27-24)20-10-6-4-7-11-20/h4,6-7,10-11,17,21H,3,5,8-9,12-16,18H2,1-2H3,(H,25,27)(H,26,31)/t21-/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 Similars	Article PubMed	n/a	n/a	500	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