BDBM50258324 (S)-1-methyl-N-(7-oxo-1-(5-(quinolin-6-yl)-1H-imidazol-2-yl)octyl)piperidine-4-carboxamide::CHEMBL2448566

SMILES: CCC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1ncc([nH]1)-c1ccc2ncccc2c1

InChI Key: InChIKey=NEJITWNNMZHAAU-DEOSSOPVSA-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 = 50258324   

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))	BDBM50258324 ((S)-1-methyl-N-(7-oxo-1-(5-(quinolin-6-yl)-1H-imid...) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1ncc([nH]1)-c1ccc2ncccc2c1 |r| Show InChI InChI=1S/C27H35N5O2/c1-19(33)7-4-3-5-9-24(31-27(34)20-12-15-32(2)16-13-20)26-29-18-25(30-26)22-10-11-23-21(17-22)8-6-14-28-23/h6,8,10-11,14,17-18,20,24H,3-5,7,9,12-13,15-16H2,1-2H3,(H,29,30)(H,31,34)/t24-/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	2	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human C-terminal FLAG-tagged HDAC1 in HEK293 cells				J Med Chem 52: 3453-6 (2009) Article DOI: 10.1021/jm9004303 BindingDB Entry DOI: 10.7270/Q2Q24044
					More data for this Ligand-Target Pair