Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 2' and Ligand = 'BDBM50098423'   

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 2 (Homo sapiens (Human))	BDBM50098423 (CHEMBL3593414) Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cc(ccn2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)N1 |r,t:27| Show InChI InChI=1S/C31H45N5O4S2/c1-5-6-7-8-9-13-26(38)41-16-11-10-12-23-18-25(37)33-19-24-17-22(14-15-32-24)29-36-31(4,20-42-29)30(40)35-27(21(2)3)28(39)34-23/h10,12,14-15,17,21,23,27H,5-9,11,13,16,18-20H2,1-4H3,(H,33,37)(H,34,39)(H,35,40)/b12-10+/t23-,27+,31+/m1/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	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of recombinant full-length HDAC2 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...				Bioorg Med Chem 23: 5061-74 (2015) Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF
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