Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50503947'   

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))	BDBM50503947 (CHEMBL4462577) Show SMILES COc1ccc(cn1)-c1cc(OCCN(C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C23H23N7O4/c1-14-18-8-16(15-4-5-20(33-3)24-10-15)9-19(21(18)28-13-27-14)34-7-6-30(2)23-25-11-17(12-26-23)22(31)29-32/h4-5,8-13,32H,6-7H2,1-3H3,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128825 BindingDB Entry DOI: 10.7270/Q2XP78WH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50503947 (CHEMBL4462577) Show SMILES COc1ccc(cn1)-c1cc(OCCN(C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C23H23N7O4/c1-14-18-8-16(15-4-5-20(33-3)24-10-15)9-19(21(18)28-13-27-14)34-7-6-30(2)23-25-11-17(12-26-23)22(31)29-32/h4-5,8-13,32H,6-7H2,1-3H3,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su...				J Med Chem 62: 6992-7014 (2019) Article DOI: 10.1021/acs.jmedchem.9b00390 BindingDB Entry DOI: 10.7270/Q2RF5Z80
					More data for this Ligand-Target Pair