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Compile Data Set for Download or QSAR

Found 5 hits of kd for UniProtKB: P07237   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein disulfide-isomerase


(Homo sapiens (Human))
BDBM50539388
PNG
(CHEMBL4637290)
Show SMILES O=C(C1CC1)N1CCN(Cn2sc3ccccc3c2=O)CC1
Show InChI InChI=1S/C16H19N3O2S/c20-15(12-5-6-12)18-9-7-17(8-10-18)11-19-16(21)13-3-1-2-4-14(13)22-19/h1-4,12H,5-11H2
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MCE
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PC sid
UniChem
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PubMed
n/an/an/a 62n/an/an/an/an/a



Northwestern Polytechnical University (NPU)

Curated by ChEMBL


Assay Description
Reversible binding affinity to full length human N-terminal His6-tagged PDIA1 alpha domain (18 to 134 residues) expressed in Escherichia coli BL21 Go...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126898
BindingDB Entry DOI: 10.7270/Q2BG2SHJ
More data for this
Ligand-Target Pair
Protein disulfide-isomerase


(Homo sapiens (Human))
BDBM50523101
PNG
(CHEMBL4545330)
Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1cccc(c1)C#N
Show InChI InChI=1S/C16H11NO2/c17-11-13-3-1-2-12(10-13)4-9-16(19)14-5-7-15(18)8-6-14/h1-10,18H/b9-4+
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n/an/an/a 9.10E+3n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His-tagged PDI expressed in Escherichia coli BL21 (DE3) pLysS by isothermal titration calorimetry


J Med Chem 62: 3447-3474 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01951
BindingDB Entry DOI: 10.7270/Q29W0JWN
More data for this
Ligand-Target Pair
Protein disulfide-isomerase


(Homo sapiens (Human))
BDBM50523101
PNG
(CHEMBL4545330)
Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1cccc(c1)C#N
Show InChI InChI=1S/C16H11NO2/c17-11-13-3-1-2-12(10-13)4-9-16(19)14-5-7-15(18)8-6-14/h1-10,18H/b9-4+
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n/an/an/a 9.80E+3n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His-tagged PDI expressed in Escherichia coli BL21 (DE3) pLysS by ROX dye based thermal shift assay


J Med Chem 62: 3447-3474 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01951
BindingDB Entry DOI: 10.7270/Q29W0JWN
More data for this
Ligand-Target Pair
Protein disulfide-isomerase


(Homo sapiens (Human))
BDBM50523101
PNG
(CHEMBL4545330)
Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1cccc(c1)C#N
Show InChI InChI=1S/C16H11NO2/c17-11-13-3-1-2-12(10-13)4-9-16(19)14-5-7-15(18)8-6-14/h1-10,18H/b9-4+
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n/an/an/a 1.23E+4n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant full-length human His-tagged PDI expressed in Escherichia coli Origami B (DE3) by fluorescence assay


J Med Chem 62: 3447-3474 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01951
BindingDB Entry DOI: 10.7270/Q29W0JWN
More data for this
Ligand-Target Pair
Protein disulfide-isomerase


(Homo sapiens (Human))
BDBM50499156
PNG
(CHEMBL1358404)
Show SMILES [H][C@@]12C[C@@]3(OC(=O)C=C3C=C1)[C@@]1([H])CCCCN21 |c:7,10|
Show InChI InChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2/t10-,11+,13-/m0/s1
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n/an/an/a 7.58E+5n/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Binding affinity to PDI catalytic domain a (unknown origin) after 1 hrs by intrinsic tryptophan fluorescence assay


ACS Med Chem Lett 6: 966-971 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00014
BindingDB Entry DOI: 10.7270/Q2ZK5KNM
More data for this
Ligand-Target Pair