BDBM50308294 (S)-tert-Butyl 7-(2-(hydroxyamino)-2-oxoethoxy)-3-(o-tolylcarbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate::CHEMBL599461

SMILES: Cc1ccccc1NC(=O)[C@@H]1Cc2ccc(OCC(=O)NO)cc2CN1C(=O)OC(C)(C)C

InChI Key: InChIKey=KCVIVJOMCUHRNU-FQEVSTJZSA-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 = 50308294   

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))	BDBM50308294 ((S)-tert-Butyl 7-(2-(hydroxyamino)-2-oxoethoxy)-3-...) Show SMILES Cc1ccccc1NC(=O)[C@@H]1Cc2ccc(OCC(=O)NO)cc2CN1C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C24H29N3O6/c1-15-7-5-6-8-19(15)25-22(29)20-12-16-9-10-18(32-14-21(28)26-31)11-17(16)13-27(20)23(30)33-24(2,3)4/h5-11,20,31H,12-14H2,1-4H3,(H,25,29)(H,26,28)/t20-/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	4.00E+3	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