Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50568211'   

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))	BDBM50568211 (CHEMBL4876610) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCOCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,(53.94,-55.95,;52.55,-55.3,;51.3,-56.19,;51.44,-57.72,;49.9,-55.56,;48.65,-56.45,;47.25,-55.81,;45.99,-56.69,;44.61,-56.06,;43.35,-56.95,;43.49,-58.47,;44.88,-59.12,;46.14,-58.23,;45.04,-60.64,;45.93,-61.89,;44.4,-62.03,;43.02,-61.24,;41.66,-62.03,;41.66,-63.61,;43.03,-64.41,;44.41,-63.62,;40.26,-64.41,;38.55,-63.17,;36.55,-63.64,;33.33,-59.89,;30.34,-58.69,;30.85,-56.4,;32.42,-56.08,;32.92,-54.6,;34.44,-54.29,;35.47,-55.46,;36.96,-55.18,;37.98,-56.33,;37.49,-57.79,;35.99,-58.09,;34.97,-56.93,;33.45,-57.24,;32.94,-58.76,;39.48,-56.03,;40.12,-54.63,;41.65,-54.8,;41.95,-56.31,;40.62,-57.06,)| 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	0.110	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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