Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein disulfide-isomerase' and Ligand = 'BDBM50561129'   

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))	BDBM50561129 (CHEMBL600752 | GNF-Pf-3313) Show SMILES Cc1cc(C)c(C(Nc2ccccn2)c2ccc3cccnc3c2O)c(C)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	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