Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 7' and Ligand = 'BDBM50399004'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50399004 (CHEMBL2177582) Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1F)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H26ClFN4O2/c1-33-15-21(22(16-33)27(35)31-19-10-8-18(28)9-11-19)20-12-6-17(14-23(20)29)7-13-26(34)32-25-5-3-2-4-24(25)30/h2-14,21-22H,15-16,30H2,1H3,(H,31,35)(H,32,34)/b13-7+/t21-,22+/m1/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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche R&D Center-China Ltd. Curated by ChEMBL					Assay Description Inhibition of HDAC7 using p53 (379 to 382 residues) based fluorogenic peptide substrate				J Med Chem 55: 8903-25 (2012) Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q
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