Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50476882'   

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 (Homo sapiens (Human))	BDBM50476882 (CHEMBL428721) Show SMILES NC1=NC(=O)C2N=C(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCSSCCCCCCC(=O)Nc3ncc(s3)-c3ccccc3)C(O)=O)C=NC2=N1 |c:55,58,t:1,6| Show InChI InChI=1S/C37H42N10O6S3/c38-36-46-32-31(34(51)47-36)43-26(21-41-32)20-40-25-13-11-24(12-14-25)33(50)44-27(35(52)53)15-16-29(48)39-17-19-55-54-18-7-2-1-6-10-30(49)45-37-42-22-28(56-37)23-8-4-3-5-9-23/h3-5,8-9,11-14,21-22,27,31,40H,1-2,6-7,10,15-20H2,(H,39,48)(H,44,50)(H,52,53)(H2,38,47,51)(H,42,45,49)/t27-,31?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of HDAC in HeLa cells in presence of DTT after 30 mins by fluorescent activity assay				Bioorg Med Chem Lett 17: 4208-12 (2007) Article DOI: 10.1016/j.bmcl.2007.05.040 BindingDB Entry DOI: 10.7270/Q2GH9MRV
					More data for this Ligand-Target Pair