Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50568204'   

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))	BDBM50568204 (CHEMBL4854377) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)C\C=C\CN2C3CCC2c2cc(ccc32)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,t:24,TLB:24:25:30.35:27.28,(23.45,-24.5,;22.06,-23.86,;20.81,-24.75,;20.95,-26.28,;19.42,-24.11,;18.17,-25,;16.77,-24.37,;15.52,-25.25,;14.13,-24.61,;12.87,-25.5,;13.01,-27.03,;14.4,-27.67,;15.66,-26.78,;14.57,-29.2,;15.45,-30.45,;13.92,-30.58,;12.54,-29.79,;11.18,-30.58,;11.18,-32.16,;12.55,-32.95,;13.93,-32.17,;4.16,-31.99,;3.9,-30.43,;2.43,-29.87,;2.17,-28.31,;3.4,-27.31,;2.98,-25.79,;2.48,-27.25,;3.5,-28.41,;5.02,-28.11,;5.51,-26.65,;7.02,-26.34,;7.51,-24.88,;6.49,-23.73,;5,-24.02,;4.5,-25.49,;9.01,-24.58,;9.64,-23.19,;11.17,-23.36,;11.48,-24.86,;10.14,-25.62,)| 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	2.70	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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