Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM27190'   

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))	BDBM27190 (triazole-linked clarithromycin-based compound, 24f) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCCC(=O)NO)nn2)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC Show InChI InChI=1S/C46H75N5O12/c1-11-36-46(8,58)41(56)29(4)38(53)27(2)24-45(7,60-10)42(30(5)39(54)31(6)43(57)62-36)63-44-40(55)35(23-28(3)61-44)50(9)25-32-18-20-33(21-19-32)34-26-51(49-47-34)22-16-14-12-13-15-17-37(52)48-59/h18-21,26-31,35-36,39-42,44,54-56,58-59H,11-17,22-25H2,1-10H3,(H,48,52)/t27-,28-,29+,30+,31-,35+,36-,39+,40-,41-,42-,44+,45-,46-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	8.0	37
Georgia Institute of Technology					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				J Med Chem 52: 456-68 (2009) Article DOI: 10.1021/jm801128g BindingDB Entry DOI: 10.7270/Q2542KXF
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