BDBM50275574 (S)-N-(1-(5-(4-cyanophenyl)-1H-imidazol-2-yl)-7-oxooctyl)-1-methylpiperidine-4-carboxamide::CHEMBL487778

SMILES: CN1CCC(CC1)C(=O)N[C@@H](CCCCCC(C)=O)c1nc(c[nH]1)-c1ccc(cc1)C#N

InChI Key: InChIKey=NECGZTHDEZSWKN-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 = 50275574   

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))	BDBM50275574 ((S)-N-(1-(5-(4-cyanophenyl)-1H-imidazol-2-yl)-7-ox...) Show SMILES CN1CCC(CC1)C(=O)N[C@@H](CCCCCC(C)=O)c1nc(c[nH]1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C25H33N5O2/c1-18(31)6-4-3-5-7-22(29-25(32)21-12-14-30(2)15-13-21)24-27-17-23(28-24)20-10-8-19(16-26)9-11-20/h8-11,17,21-22H,3-7,12-15H2,1-2H3,(H,27,28)(H,29,32)/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 Similars	Article PubMed	n/a	n/a	120	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