Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50113955'   

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))	BDBM50113955 (CHEMBL3605493) Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@@H](Cc3ccccc3)CO2)cc1 |r,t:17| Show InChI InChI=1S/C24H23N3O2S/c25-21-8-4-5-9-22(21)27-23(28)19-12-10-18(11-13-19)16-30-24-26-20(15-29-24)14-17-6-2-1-3-7-17/h1-13,20H,14-16,25H2,(H,27,28)/t20-/m0/s1	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	700	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay				J Med Chem 58: 6803-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00545 BindingDB Entry DOI: 10.7270/Q26T0PFV
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