BDBM50210140 (2S)-3-(3-{2-[(2S)-2-azaniumyl-7-(hydroxycarbamoyl)heptanamido]-3-methoxy-3-oxopropyl}phenyl)-2-acetamidopropanoate::CHEMBL227722

SMILES: COC(=O)C(Cc1cccc(C[C@H](NC(C)=O)C([O-])=O)c1)NC(=O)[C@@H]([NH3+])CCCCCC(=O)NO

InChI Key: InChIKey=FPRGWMQQGYPUDP-ADUPEVMXSA-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 = 50210140   

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))	BDBM50210140 ((2S)-3-(3-{2-[(2S)-2-azaniumyl-7-(hydroxycarbamoyl...) Show SMILES COC(=O)C(Cc1cccc(C[C@H](NC(C)=O)C([O-])=O)c1)NC(=O)[C@@H]([NH3+])CCCCCC(=O)NO Show InChI InChI=1S/C23H34N4O8/c1-14(28)25-18(22(31)32)12-15-7-6-8-16(11-15)13-19(23(33)35-2)26-21(30)17(24)9-4-3-5-10-20(29)27-34/h6-8,11,17-19,34H,3-5,9-10,12-13,24H2,1-2H3,(H,25,28)(H,26,30)(H,27,29)(H,31,32)/t17-,18-,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of human HDAC1				J Med Chem 50: 2003-6 (2007) Article DOI: 10.1021/jm061082q BindingDB Entry DOI: 10.7270/Q26M36H1
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