BDBM50308316 (S)-Benzyl 7-(2-(hydroxyamino)-2-oxoethoxy)-3-(phenethylcarbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate::CHEMBL604178

SMILES: ONC(=O)COc1ccc2C[C@H](N(Cc2c1)C(=O)OCc1ccccc1)C(=O)NCCc1ccccc1

InChI Key: InChIKey=ADMHGYYUSPFHOT-VWLOTQADSA-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 = 50308316   

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))	BDBM50308316 ((S)-Benzyl 7-(2-(hydroxyamino)-2-oxoethoxy)-3-(phe...) Show SMILES ONC(=O)COc1ccc2C[C@H](N(Cc2c1)C(=O)OCc1ccccc1)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C28H29N3O6/c32-26(30-35)19-36-24-12-11-22-16-25(27(33)29-14-13-20-7-3-1-4-8-20)31(17-23(22)15-24)28(34)37-18-21-9-5-2-6-10-21/h1-12,15,25,35H,13-14,16-19H2,(H,29,33)(H,30,32)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair