Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 2' and Ligand = 'BDBM50199117'   

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))	BDBM50199117 (CHEMBL3983635) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCC(=O)NO)c(F)c1 Show InChI InChI=1S/C26H25F4N5O4S/c1-25(2)23(38)34(16-8-7-15(14-31)19(12-16)26(28,29)30)24(40)35(25)17-9-10-18(20(27)13-17)22(37)32-11-5-3-4-6-21(36)33-39/h7-10,12-13,39H,3-6,11H2,1-2H3,(H,32,37)(H,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
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