Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein disulfide-isomerase' and Ligand = 'BDBM41972'   

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))	BDBM41972 (6-[(4-fluorophenyl)-(1-pyrrolidinyl)methyl]-1,3-be...) Show SMILES Oc1cc2OCOc2cc1C(N1CCCC1)c1ccc(F)cc1 Show InChI InChI=1S/C18H18FNO3/c19-13-5-3-12(4-6-13)18(20-7-1-2-8-20)14-9-16-17(10-15(14)21)23-11-22-16/h3-6,9-10,18,21H,1-2,7-8,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<200	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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