Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50044639'   

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 1 (Homo sapiens (Human))	BDBM50044639 (CHEMBL3309300) Show SMILES CC1(C)CC(=O)Nc2ccc(cc12)C(=O)NC[C@@H]1CC[C@H](CCC(=O)NO)CC1 |r,wU:17.18,20.22,(45.27,-32.85,;46.06,-34.2,;46.81,-32.85,;47.39,-34.97,;47.39,-36.51,;48.73,-37.28,;46.06,-37.28,;44.72,-36.51,;43.39,-37.28,;42.06,-36.51,;42.06,-34.97,;43.39,-34.2,;44.72,-34.97,;40.73,-34.2,;40.73,-32.66,;39.39,-34.97,;38.06,-34.2,;36.72,-34.97,;35.39,-34.2,;34.05,-34.96,;34.04,-36.5,;32.71,-37.27,;31.38,-36.49,;30.04,-37.26,;30.03,-38.8,;28.71,-36.48,;27.37,-37.24,;35.38,-37.28,;36.72,-36.51,)| Show InChI InChI=1S/C22H31N3O4/c1-22(2)12-20(27)24-18-9-8-16(11-17(18)22)21(28)23-13-15-5-3-14(4-6-15)7-10-19(26)25-29/h8-9,11,14-15,29H,3-7,10,12-13H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/t14-,15+	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	41	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Pharmaceutical Chemicals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human HDAC1 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay				Bioorg Med Chem 22: 3720-31 (2014) Article DOI: 10.1016/j.bmc.2014.05.001 BindingDB Entry DOI: 10.7270/Q24T6M0V
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