Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50314636'   

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))	BDBM50314636 ((E)-N-Hydroxy-3-{4-[3-(2-phenyl-1H-indol-3-yl)pipe...) Show SMILES ONC(=O)\C=C\c1ccc(CN2CCCC(C2)c2c([nH]c3ccccc23)-c2ccccc2)cc1 Show InChI InChI=1S/C29H29N3O2/c33-27(31-34)17-16-21-12-14-22(15-13-21)19-32-18-6-9-24(20-32)28-25-10-4-5-11-26(25)30-29(28)23-7-2-1-3-8-23/h1-5,7-8,10-17,24,30,34H,6,9,18-20H2,(H,31,33)/b17-16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Indian CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of GST-tagged HDAC1 (unknown origin) expressed in insect cells using poly (Glu, Tyr) 4:1 as substrate measured after 15 mins in presence o...				Eur J Med Chem 158: 620-706 (2018) Article DOI: 10.1016/j.ejmech.2018.08.073 BindingDB Entry DOI: 10.7270/Q2HT2STK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314636 ((E)-N-Hydroxy-3-{4-[3-(2-phenyl-1H-indol-3-yl)pipe...) Show SMILES ONC(=O)\C=C\c1ccc(CN2CCCC(C2)c2c([nH]c3ccccc23)-c2ccccc2)cc1 Show InChI InChI=1S/C29H29N3O2/c33-27(31-34)17-16-21-12-14-22(15-13-21)19-32-18-6-9-24(20-32)28-25-10-4-5-11-26(25)30-29(28)23-7-2-1-3-8-23/h1-5,7-8,10-17,24,30,34H,6,9,18-20H2,(H,31,33)/b17-16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged HDAC1 expressed in HEK293 cells by fluorescent assay				J Med Chem 53: 2952-63 (2010) Article DOI: 10.1021/jm100007m BindingDB Entry DOI: 10.7270/Q20V8CZC
					More data for this Ligand-Target Pair