Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM103537'   

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 8 (Homo sapiens (Human))	BDBM103537 (US10201527, Compound 7 | US10736881, Compound 7 | ...) Show SMILES COc1cc(ccc1OCc1ccccc1)-c1nc2cc(\C=C\C(=O)NO)ccc2n1CC(O)CO Show InChI InChI=1S/C27H27N3O6/c1-35-25-14-20(9-11-24(25)36-17-19-5-3-2-4-6-19)27-28-22-13-18(8-12-26(33)29-34)7-10-23(22)30(27)15-21(32)16-31/h2-14,21,31-32,34H,15-17H2,1H3,(H,29,33)/b12-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	336	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM103537 (US10201527, Compound 7 | US10736881, Compound 7 | ...) Show SMILES COc1cc(ccc1OCc1ccccc1)-c1nc2cc(\C=C\C(=O)NO)ccc2n1CC(O)CO Show InChI InChI=1S/C27H27N3O6/c1-35-25-14-20(9-11-24(25)36-17-19-5-3-2-4-6-19)27-28-22-13-18(8-12-26(33)29-34)7-10-23(22)30(27)15-21(32)16-31/h2-14,21,31-32,34H,15-17H2,1H3,(H,29,33)/b12-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	336	n/a	n/a	n/a	n/a	n/a	n/a
MEI Pharma, Inc. US Patent									US Patent US10736881 (2020) BindingDB Entry DOI: 10.7270/Q2PN98P2
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM103537 (US10201527, Compound 7 | US10736881, Compound 7 | ...) Show SMILES COc1cc(ccc1OCc1ccccc1)-c1nc2cc(\C=C\C(=O)NO)ccc2n1CC(O)CO Show InChI InChI=1S/C27H27N3O6/c1-35-25-14-20(9-11-24(25)36-17-19-5-3-2-4-6-19)27-28-22-13-18(8-12-26(33)29-34)7-10-23(22)30(27)15-21(32)16-31/h2-14,21,31-32,34H,15-17H2,1H3,(H,29,33)/b12-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	336	n/a	n/a	n/a	n/a	n/a	n/a
MEI PHARMA, INC. US Patent					Assay Description To determine EC50 where acetylated histone 3 was induced by 50%, Colo205 cells was cultivated in 96 well plate at 1.5×105 cells/well for 24 h. Colo20...				US Patent US10201527 (2019) BindingDB Entry DOI: 10.7270/Q2PK0J7F
					More data for this Ligand-Target Pair