Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50540803'   

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 6 (Homo sapiens (Human))	BDBM50540803 (CHEMBL4633299) Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C29H37N5O5/c1-18-14-19(2)31-29(38)25(18)17-30-28(37)24-15-20(3)34(21(24)4)23-11-9-10-22(16-23)32-26(35)12-7-5-6-8-13-27(36)33-39/h9-11,14-16,39H,5-8,12-13,17H2,1-4H3,(H,30,37)(H,31,38)(H,32,35)(H,33,36)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2020.112904 BindingDB Entry DOI: 10.7270/Q2XP791Q
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Histone deacetylase 6 (Homo sapiens (Human))	BDBM50540803 (CHEMBL4633299) Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C29H37N5O5/c1-18-14-19(2)31-29(38)25(18)17-30-28(37)24-15-20(3)34(21(24)4)23-11-9-10-22(16-23)32-26(35)12-7-5-6-8-13-27(36)33-39/h9-11,14-16,39H,5-8,12-13,17H2,1-4H3,(H,30,37)(H,31,38)(H,32,35)(H,33,36)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using AMC-K(Ac)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair