Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein disulfide-isomerase' and Ligand = 'BDBM41982'   

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
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM41982 (6-[4-morpholinyl-(3,4,5-trimethoxyphenyl)methyl]-1...) Show SMILES COc1cc(cc(OC)c1OC)C(N1CCOCC1)c1cc2OCOc2cc1O Show InChI InChI=1S/C21H25NO7/c1-24-18-8-13(9-19(25-2)21(18)26-3)20(22-4-6-27-7-5-22)14-10-16-17(11-15(14)23)29-12-28-16/h8-11,20,23H,4-7,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human wild-type N-terminal His-tagged PDIA1 expressed in Escherichia coli strain BL21(DE3) using bovine insulin as substrat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00728 BindingDB Entry DOI: 10.7270/Q2833WQF
					More data for this Ligand-Target Pair