Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1/REST corepressor 3'   

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/REST corepressor 3 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of HDAC1/CoREST3 in HEK293 whole cell extract using fluorescent acetylated histone peptide as substrate after 60 mins by fluorescence base...				Bioorg Med Chem Lett 28: 1001-1004 (2018) Article DOI: 10.1016/j.bmcl.2018.02.034 BindingDB Entry DOI: 10.7270/Q2280B78
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1/REST corepressor 3 (Homo sapiens (Human))	BDBM50460385 (CHEMBL4228572) Show SMILES Cl.Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)CCC(=O)NCCCNCCCNC(=O)c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)cc1 |r| Show InChI InChI=1S/C34H49N7O6.2ClH/c35-29-23-28(29)24-9-13-26(14-10-24)40-32(44)18-17-30(42)37-21-5-19-36-20-6-22-38-34(46)25-11-15-27(16-12-25)39-31(43)7-3-1-2-4-8-33(45)41-47;;/h9-16,28-29,36,47H,1-8,17-23,35H2,(H,37,42)(H,38,46)(H,39,43)(H,40,44)(H,41,45);2*1H/t28-,29+;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of HDAC1/CoREST3 in HEK293 whole cell extract using fluorescent acetylated histone peptide as substrate after 60 mins by fluorescence base...				Bioorg Med Chem Lett 28: 1001-1004 (2018) Article DOI: 10.1016/j.bmcl.2018.02.034 BindingDB Entry DOI: 10.7270/Q2280B78
					More data for this Ligand-Target Pair
Histone deacetylase 1/REST corepressor 3 (Homo sapiens (Human))	BDBM50460386 (CHEMBL4228166) Show SMILES Cl.Cl.Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)CCC(=O)NCCCNCCCCNCCCNC(=O)c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)cc1 |r| Show InChI InChI=1S/C38H58N8O6.3ClH/c39-33-27-32(33)28-11-15-30(16-12-28)45-36(49)20-19-34(47)42-25-7-23-40-21-5-6-22-41-24-8-26-43-38(51)29-13-17-31(18-14-29)44-35(48)9-3-1-2-4-10-37(50)46-52;;;/h11-18,32-33,40-41,52H,1-10,19-27,39H2,(H,42,47)(H,43,51)(H,44,48)(H,45,49)(H,46,50);3*1H/t32-,33+;;;/m0.../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of HDAC1/CoREST3 in HEK293 whole cell extract using fluorescent acetylated histone peptide as substrate after 60 mins by fluorescence base...				Bioorg Med Chem Lett 28: 1001-1004 (2018) Article DOI: 10.1016/j.bmcl.2018.02.034 BindingDB Entry DOI: 10.7270/Q2280B78
					More data for this Ligand-Target Pair