null

SMILES: O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)Nc1ccccc1-c1ccccc1)OCc1ccccc1

InChI Key: InChIKey=ACUWVRCSFNITIR-PMERELPUSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50381684   

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 2 (Homo sapiens (Human))	BDBM50381684 (CHEMBL2022826) Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)Nc1ccccc1-c1ccccc1)OCc1ccccc1 |r| Show InChI InChI=1S/C33H35N3O3S2/c37-32(35-29-20-11-10-19-28(29)27-17-7-4-8-18-27)30(36-33(38)39-25-26-15-5-3-6-16-26)21-9-1-2-14-24-40-41-31-22-12-13-23-34-31/h3-8,10-13,15-20,22-23,30H,1-2,9,14,21,24-25H2,(H,35,37)(H,36,38)/t30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45.2	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50381684 (CHEMBL2022826) Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)Nc1ccccc1-c1ccccc1)OCc1ccccc1 |r| Show InChI InChI=1S/C33H35N3O3S2/c37-32(35-29-20-11-10-19-28(29)27-17-7-4-8-18-27)30(36-33(38)39-25-26-15-5-3-6-16-26)21-9-1-2-14-24-40-41-31-22-12-13-23-34-31/h3-8,10-13,15-20,22-23,30H,1-2,9,14,21,24-25H2,(H,35,37)(H,36,38)/t30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71.2	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair