BDBM50157890 CHEMBL178150::S-2-oxo-2-(6-oxo-6-(phenylamino)hexylamino)ethyl ethanethioate::Thioacetic acid S-[(5-phenylcarbamoyl-pentylcarbamoyl)-methyl] ester

SMILES: CC(=O)SCC(=O)NCCCCCC(=O)Nc1ccccc1

InChI Key: InChIKey=YJSCVICYEOPEPV-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50157890   

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 8 (Homo sapiens (Human))	BDBM50157890 (CHEMBL178150 | S-2-oxo-2-(6-oxo-6-(phenylamino)hex...) Show SMILES CC(=O)SCC(=O)NCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C16H22N2O3S/c1-13(19)22-12-16(21)17-11-7-3-6-10-15(20)18-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-12H2,1H3,(H,17,21)(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Inhibition of human HDAC8				J Med Chem 51: 1505-29 (2008) Article DOI: 10.1021/jm7011408 BindingDB Entry DOI: 10.7270/Q2M32WMT
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50157890 (CHEMBL178150 | S-2-oxo-2-(6-oxo-6-(phenylamino)hex...) Show SMILES CC(=O)SCC(=O)NCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C16H22N2O3S/c1-13(19)22-12-16(21)17-11-7-3-6-10-15(20)18-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-12H2,1H3,(H,17,21)(H,18,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibitory concentration against human histone deacetylase				J Med Chem 48: 1019-32 (2005) Article DOI: 10.1021/jm049207j BindingDB Entry DOI: 10.7270/Q25T3P70
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50157890 (CHEMBL178150 | S-2-oxo-2-(6-oxo-6-(phenylamino)hex...) Show SMILES CC(=O)SCC(=O)NCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C16H22N2O3S/c1-13(19)22-12-16(21)17-11-7-3-6-10-15(20)18-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-12H2,1H3,(H,17,21)(H,18,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibitory concentration against histone deacetylase of HeLa cells				Bioorg Med Chem Lett 15: 331-5 (2005) Article DOI: 10.1016/j.bmcl.2004.10.074 BindingDB Entry DOI: 10.7270/Q2183984
					More data for this Ligand-Target Pair