Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '14-3-3 protein sigma' and Ligand = 'BDBM50462083'   

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
14-3-3 protein sigma (Homo sapiens (Human))	BDBM50462083 (CHEMBL4237531) Show SMILES OP(O)(=O)OC[C@H](NC(=O)CNC(=O)c1ccc(CCl)cc1)C(=O)NCc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C21H23ClN3O9P/c22-8-13-1-4-15(5-2-13)20(27)24-10-19(26)25-16(11-34-35(29,30)31)21(28)23-9-14-3-6-17-18(7-14)33-12-32-17/h1-7,16H,8-12H2,(H,23,28)(H,24,27)(H,25,26)(H2,29,30,31)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eindhoven University of Technology Curated by ChEMBL					Assay Description Inhibition of TMR-GG-RLSHpSSLPG-NH2 binding to recombinant human GST-tagged 14-3-3-sigma preincubated for 30 mins followed by TMR-GG-RLSHpSSLPG-NH2 a...				J Med Chem 61: 3755-3778 (2018) Article DOI: 10.1021/acs.jmedchem.7b00574 BindingDB Entry DOI: 10.7270/Q2RB7781
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