Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein disulfide-isomerase' and Ligand = 'BDBM41988'   

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))	BDBM41988 (6-[(4-methoxyphenyl)-(4-morpholinyl)methyl]-1,3-be...) Show SMILES COc1ccc(cc1)C(N1CCOCC1)c1cc2OCOc2cc1O Show InChI InChI=1S/C19H21NO5/c1-22-14-4-2-13(3-5-14)19(20-6-8-23-9-7-20)15-10-17-18(11-16(15)21)25-12-24-17/h2-5,10-11,19,21H,6-9,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	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
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