BDBM50258369 (S)-1-methyl-N-(7-oxo-1-(5-(quinoxalin-2-yl)-1H-imidazol-2-yl)octyl)azetidine-3-carboxamide::CHEMBL2448572

SMILES: CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc([nH]1)-c1cnc2ccccc2n1

InChI Key: InChIKey=DUSIPMQGRUYSDG-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 = 50258369   

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))	BDBM50258369 ((S)-1-methyl-N-(7-oxo-1-(5-(quinoxalin-2-yl)-1H-im...) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc([nH]1)-c1cnc2ccccc2n1 |r| Show InChI InChI=1S/C24H30N6O2/c1-16(31)8-4-3-5-11-20(29-24(32)17-14-30(2)15-17)23-26-13-22(28-23)21-12-25-18-9-6-7-10-19(18)27-21/h6-7,9-10,12-13,17,20H,3-5,8,11,14-15H2,1-2H3,(H,26,28)(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	8	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