Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50568205'   

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))	BDBM50568205 (CHEMBL4866612) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCN2C3CCC2c2cc(ccc32)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,TLB:24:25:30.35:27.28,(51.92,-23.44,;50.53,-22.8,;49.28,-23.69,;49.42,-25.23,;47.89,-23.06,;46.63,-23.95,;45.24,-23.31,;43.98,-24.2,;42.6,-23.56,;41.34,-24.45,;41.48,-25.97,;42.87,-26.62,;44.13,-25.73,;43.03,-28.14,;43.92,-29.39,;42.39,-29.53,;41.01,-28.74,;39.65,-29.52,;39.64,-31.11,;41.02,-31.9,;42.4,-31.11,;33.18,-31.04,;32.37,-29.37,;30.9,-28.81,;30.64,-27.26,;31.86,-26.25,;31.45,-24.73,;30.95,-26.19,;31.97,-27.36,;33.49,-27.06,;33.97,-25.6,;35.49,-25.29,;35.98,-23.83,;34.96,-22.68,;33.47,-22.96,;32.96,-24.43,;37.48,-23.53,;38.11,-22.13,;39.64,-22.3,;39.95,-23.81,;38.61,-24.56,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128168 BindingDB Entry DOI: 10.7270/Q2QR51V7
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