BDBM50213122 (S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(quinolin-6-ylamino)octan-2-yl)picolinamide::CHEMBL393060

SMILES: ONC(=O)CCCCC[C@H](NC(=O)c1ccccn1)C(=O)Nc1ccc2ncccc2c1

InChI Key: InChIKey=ZMMZVMRJGIFSBY-FQEVSTJZSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50213122   

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))	BDBM50213122 ((S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(quinolin-6-yl...) Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccccn1)C(=O)Nc1ccc2ncccc2c1 Show InChI InChI=1S/C23H25N5O4/c29-21(28-32)10-3-1-2-9-20(27-22(30)19-8-4-5-13-25-19)23(31)26-17-11-12-18-16(15-17)7-6-14-24-18/h4-8,11-15,20,32H,1-3,9-10H2,(H,26,31)(H,27,30)(H,28,29)/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 Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human HDAC 1				Bioorg Med Chem Lett 17: 3969-71 (2007) Article DOI: 10.1016/j.bmcl.2007.04.089 BindingDB Entry DOI: 10.7270/Q2M908CJ
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