BDBM50258368 (S)-1-methyl-N-(7-oxo-1-(5-(quinoxalin-6-yl)-1H-imidazol-2-yl)octyl)azetidine-3-carboxamide::CHEMBL2448571

SMILES: CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc([nH]1)-c1ccc2nccnc2c1

InChI Key: InChIKey=LBGZNUFUOXPAIJ-FQEVSTJZSA-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 = 50258368   

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))	BDBM50258368 ((S)-1-methyl-N-(7-oxo-1-(5-(quinoxalin-6-yl)-1H-im...) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc([nH]1)-c1ccc2nccnc2c1 |r| Show InChI InChI=1S/C24H30N6O2/c1-16(31)6-4-3-5-7-20(29-24(32)18-14-30(2)15-18)23-27-13-22(28-23)17-8-9-19-21(12-17)26-11-10-25-19/h8-13,18,20H,3-7,14-15H2,1-2H3,(H,27,28)(H,29,32)/t20-/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	39	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