Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein disulfide-isomerase' and Ligand = 'BDBM41986'   

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))	BDBM41986 (6-[(3,4-dimethoxyphenyl)-(4-morpholinyl)methyl]-1,...) Show SMILES COc1ccc(cc1OC)C(N1CCOCC1)c1cc2OCOc2cc1O Show InChI InChI=1S/C20H23NO6/c1-23-16-4-3-13(9-17(16)24-2)20(21-5-7-25-8-6-21)14-10-18-19(11-15(14)22)27-12-26-18/h3-4,9-11,20,22H,5-8,12H2,1-2H3	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	300	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