Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'REST corepressor 1 [4-485]' and Ligand = 'BDBM50155772'   

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
REST corepressor 1 [4-485] (Homo sapiens (Human))	BDBM50155772 (CHEMBL3780774) Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(N3CCCCC3)c(NC(=O)OCc3ccccc3)c2)cc1 |r| Show InChI InChI=1S/C29H32N4O3.ClH/c30-25-18-24(25)21-9-12-23(13-10-21)31-28(34)22-11-14-27(33-15-5-2-6-16-33)26(17-22)32-29(35)36-19-20-7-3-1-4-8-20;/h1,3-4,7-14,17,24-25H,2,5-6,15-16,18-19,30H2,(H,31,34)(H,32,35);1H/t24-,25+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	308	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
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