Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50527615'   

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))	BDBM50527615 (CHEMBL4455923) Show SMILES CC[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C31H29N9O3/c1-3-23(36-27-22(16-32)18(2)35-31(33)38-27)28-37-25-11-7-10-24(26(25)30(42)40(28)21-8-5-4-6-9-21)34-17-19-12-14-20(15-13-19)29(41)39-43/h4-15,23,34,43H,3,17H2,1-2H3,(H,39,41)(H3,33,35,36,38)/t23-/m0/s1	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	12	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1125 residues) expressed in baculovirus infected insect cells using fluorogenic pep...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50527615 (CHEMBL4455923) Show SMILES CC[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C31H29N9O3/c1-3-23(36-27-22(16-32)18(2)35-31(33)38-27)28-37-25-11-7-10-24(26(25)30(42)40(28)21-8-5-4-6-9-21)34-17-19-12-14-20(15-13-19)29(41)39-43/h4-15,23,34,43H,3,17H2,1-2H3,(H,39,41)(H3,33,35,36,38)/t23-/m0/s1	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	12	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
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50527615 (CHEMBL4455923) Show SMILES CC[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C31H29N9O3/c1-3-23(36-27-22(16-32)18(2)35-31(33)38-27)28-37-25-11-7-10-24(26(25)30(42)40(28)21-8-5-4-6-9-21)34-17-19-12-14-20(15-13-19)29(41)39-43/h4-15,23,34,43H,3,17H2,1-2H3,(H,39,41)(H3,33,35,36,38)/t23-/m0/s1	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	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114039 BindingDB Entry DOI: 10.7270/Q2TT4VZR
					More data for this Ligand-Target Pair