Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM347478'   

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))	BDBM347478 (US9790180, ID 012) Show SMILES CC1(CCN(CC1)C(=O)N1CCC(F)(F)CC1)Nc1ncc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C27H31F2N7O2S/c1-26(6-10-35(11-7-26)25(38)36-12-8-27(28,29)9-13-36)34-24-31-16-19(17-32-24)23(37)33-21-15-18(4-5-20(21)30)22-3-2-14-39-22/h2-5,14-17H,6-13,30H2,1H3,(H,33,37)(H,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, LLC US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US9790180 (2017) BindingDB Entry DOI: 10.7270/Q2GF0WM8
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