Compile Data Set for Download or QSAR

Found 146 hits with Last Name = 'shrestha' and Initial = 'b'   

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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321867 ((E)-1-(4-(5-Methyl-1,2,4-oxadiazol-3-yl)piperidin-...) Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)c2noc(C)n2)C(F)(F)F)n1 Show InChI InChI=1S/C21H22F3N7O2/c1-13-26-29-31(27-13)12-17-11-18(21(22,23)24)5-3-15(17)4-6-19(32)30-9-7-16(8-10-30)20-25-14(2)33-28-20/h3-6,11,16H,7-10,12H2,1-2H3/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant ATX expressed in HEK293 cells assessed as inhibition of choline release using LPC (18:1) as substrate preincubated wi...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127663 BindingDB Entry DOI: 10.7270/Q20P13NN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM322044 ((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...) Show SMILES COc1ccc(CN2CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)nc1 Show InChI InChI=1S/C23H26ClN7O2/c1-17-26-28-31(27-17)15-19-13-20(24)5-3-18(19)4-8-23(32)30-11-9-29(10-12-30)16-21-6-7-22(33-2)14-25-21/h3-8,13-14H,9-12,15-16H2,1-2H3/b8-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant ATX expressed in HEK293 cells assessed as inhibition of choline release using LPC (18:1) as substrate preincubated wi...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127663 BindingDB Entry DOI: 10.7270/Q20P13NN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50548813 (CHEMBL4786202) Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1ncc(C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant ATX expressed in HEK293 cells assessed as inhibition of choline release using LPC (18:1) as substrate preincubated wi...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127663 BindingDB Entry DOI: 10.7270/Q20P13NN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321898 ((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...) Show SMILES Cc1cnc(CC2CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)o1 Show InChI InChI=1S/C22H25ClN6O2/c1-15-13-24-21(31-15)11-17-7-9-28(10-8-17)22(30)6-4-18-3-5-20(23)12-19(18)14-29-26-16(2)25-27-29/h3-6,12-13,17H,7-11,14H2,1-2H3/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant ATX expressed in HEK293 cells assessed as inhibition of choline release using LPC (18:1) as substrate preincubated wi...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127663 BindingDB Entry DOI: 10.7270/Q20P13NN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321948 ((E)-1-(4-(5-Methyl-1,3,4-oxadiazol-2-yl)piperidin-...) Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)c2nnc(C)o2)C(F)(F)F)n1 Show InChI InChI=1S/C21H22F3N7O2/c1-13-25-29-31(28-13)12-17-11-18(21(22,23)24)5-3-15(17)4-6-19(32)30-9-7-16(8-10-30)20-27-26-14(2)33-20/h3-6,11,16H,7-10,12H2,1-2H3/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant ATX expressed in HEK293 cells assessed as inhibition of choline release using LPC (18:1) as substrate preincubated wi...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127663 BindingDB Entry DOI: 10.7270/Q20P13NN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50548807 (CHEMBL4794343) Show SMILES COc1ccc(CN2CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant ATX expressed in HEK293 cells assessed as inhibition of choline release using LPC (18:1) as substrate preincubated wi...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127663 BindingDB Entry DOI: 10.7270/Q20P13NN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321865 ((E)-1-(4-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidin-...) Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)c2nc(C)no2)C(F)(F)F)n1 Show InChI InChI=1S/C21H22F3N7O2/c1-13-25-20(33-28-13)16-7-9-30(10-8-16)19(32)6-4-15-3-5-18(21(22,23)24)11-17(15)12-31-27-14(2)26-29-31/h3-6,11,16H,7-10,12H2,1-2H3/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant ATX expressed in HEK293 cells assessed as inhibition of choline release using LPC (18:1) as substrate preincubated wi...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127663 BindingDB Entry DOI: 10.7270/Q20P13NN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50548815 (CHEMBL4790845) Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant ATX expressed in HEK293 cells assessed as inhibition of choline release using LPC (18:1) as substrate preincubated wi...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127663 BindingDB Entry DOI: 10.7270/Q20P13NN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321948 ((E)-1-(4-(5-Methyl-1,3,4-oxadiazol-2-yl)piperidin-...) Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)c2nnc(C)o2)C(F)(F)F)n1 Show InChI InChI=1S/C21H22F3N7O2/c1-13-25-29-31(28-13)12-17-11-18(21(22,23)24)5-3-15(17)4-6-19(32)30-9-7-16(8-10-30)20-27-26-14(2)33-20/h3-6,11,16H,7-10,12H2,1-2H3/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ATX in human serum assessed as reduction in LPA (18:1) level by LC-MS analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127663 BindingDB Entry DOI: 10.7270/Q20P13NN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50548804 (CHEMBL4795515) Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant ATX expressed in HEK293 cells assessed as inhibition of choline release using LPC (18:1) as substrate preincubated wi...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127663 BindingDB Entry DOI: 10.7270/Q20P13NN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50548814 (CHEMBL4781284) Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1ncnn1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant ATX expressed in HEK293 cells assessed as inhibition of choline release using LPC (18:1) as substrate preincubated wi...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127663 BindingDB Entry DOI: 10.7270/Q20P13NN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321906 ((E)-1-(4-(3-Methyl-1H-1,2,4-triazol-1-yl)piperidin...) Show SMILES Cc1ncn(n1)C1CCN(CC1)C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F Show InChI InChI=1S/C21H23F3N8O/c1-14-25-13-31(27-14)19-7-9-30(10-8-19)20(33)6-4-16-3-5-18(21(22,23)24)11-17(16)12-32-28-15(2)26-29-32/h3-6,11,13,19H,7-10,12H2,1-2H3/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant ATX expressed in HEK293 cells assessed as inhibition of choline release using LPC (18:1) as substrate preincubated wi...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127663 BindingDB Entry DOI: 10.7270/Q20P13NN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50548812 (CHEMBL4790906) Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Cc1nc(C)no1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant ATX expressed in HEK293 cells assessed as inhibition of choline release using LPC (18:1) as substrate preincubated wi...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127663 BindingDB Entry DOI: 10.7270/Q20P13NN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50548811 (CHEMBL4748162) Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)CCc1ccc(Cl)cc1Cn1nnc(C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant ATX expressed in HEK293 cells assessed as inhibition of choline release using LPC (18:1) as substrate preincubated wi...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127663 BindingDB Entry DOI: 10.7270/Q20P13NN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50548809 (CHEMBL4783839) Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCN(Cc3ccc(F)cc3)CC2)n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant ATX expressed in HEK293 cells assessed as inhibition of choline release using LPC (18:1) as substrate preincubated wi...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127663 BindingDB Entry DOI: 10.7270/Q20P13NN
					More data for this Ligand-Target Pair
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM50561112 (CHEMBL4748449) Show SMILES Oc1cc2OCOc2cc1C(N1CCCC1)c1ccc2OCOc2c1 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	23	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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50548806 (CHEMBL4747057) Show SMILES Cc1cc(CN2CCN(CC2=O)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)on1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant ATX expressed in HEK293 cells assessed as inhibition of choline release using LPC (18:1) as substrate preincubated wi...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127663 BindingDB Entry DOI: 10.7270/Q20P13NN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM322046 ((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...) Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCN(Cc3coc(C)n3)CC2)n1 Show InChI InChI=1S/C21H24ClN7O2/c1-15-24-26-29(25-15)12-18-11-19(22)5-3-17(18)4-6-21(30)28-9-7-27(8-10-28)13-20-14-31-16(2)23-20/h3-6,11,14H,7-10,12-13H2,1-2H3/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant ATX expressed in HEK293 cells assessed as inhibition of choline release using LPC (18:1) as substrate preincubated wi...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127663 BindingDB Entry DOI: 10.7270/Q20P13NN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM322052 ((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...) Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCN(Cc3cnn(C)c3)CC2)n1 Show InChI InChI=1S/C21H25ClN8O/c1-16-24-26-30(25-16)15-19-11-20(22)5-3-18(19)4-6-21(31)29-9-7-28(8-10-29)14-17-12-23-27(2)13-17/h3-6,11-13H,7-10,14-15H2,1-2H3/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant ATX expressed in HEK293 cells assessed as inhibition of choline release using LPC (18:1) as substrate preincubated wi...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127663 BindingDB Entry DOI: 10.7270/Q20P13NN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50548805 (CHEMBL4779450) Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(Cl)CC2)C(F)(F)F)n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant ATX expressed in HEK293 cells assessed as inhibition of choline release using LPC (18:1) as substrate preincubated wi...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127663 BindingDB Entry DOI: 10.7270/Q20P13NN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM322031 ((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...) Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCC(Cc3nnc(C)o3)CC2)n1 Show InChI InChI=1S/C21H24ClN7O2/c1-14-23-27-29(26-14)13-18-12-19(22)5-3-17(18)4-6-21(30)28-9-7-16(8-10-28)11-20-25-24-15(2)31-20/h3-6,12,16H,7-11,13H2,1-2H3/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant ATX expressed in HEK293 cells assessed as inhibition of choline release using LPC (18:1) as substrate preincubated wi...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127663 BindingDB Entry DOI: 10.7270/Q20P13NN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM322045 ((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...) Show SMILES Cc1cc(CN2CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)on1 Show InChI InChI=1S/C21H24ClN7O2/c1-15-11-20(31-25-15)14-27-7-9-28(10-8-27)21(30)6-4-17-3-5-19(22)12-18(17)13-29-24-16(2)23-26-29/h3-6,11-12H,7-10,13-14H2,1-2H3/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant ATX expressed in HEK293 cells assessed as inhibition of choline release using LPC (18:1) as substrate preincubated wi...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127663 BindingDB Entry DOI: 10.7270/Q20P13NN
					More data for this Ligand-Target Pair
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM50561113 (CHEMBL4786482) Show SMILES Oc1cc2OCOc2cc1C(Nc1ccccn1)c1ccc2OCOc2c1 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	72	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
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM41977 (6-[(4-chlorophenyl)-(4-morpholinyl)methyl]-1,3-ben...) Show SMILES Oc1cc2OCOc2cc1C(N1CCOCC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H18ClNO4/c19-13-3-1-12(2-4-13)18(20-5-7-22-8-6-20)14-9-16-17(10-15(14)21)24-11-23-16/h1-4,9-10,18,21H,5-8,11H2	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	92	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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50548810 (CHEMBL4740639) Show SMILES C[C@@H]1CNCCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant ATX expressed in HEK293 cells assessed as inhibition of choline release using LPC (18:1) as substrate preincubated wi...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127663 BindingDB Entry DOI: 10.7270/Q20P13NN
					More data for this Ligand-Target Pair
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM50500107 (CHEMBL3741464) Show SMILES Oc1c(ccc2cccnc12)C(Nc1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H18N2O/c25-22-19(14-13-17-10-7-15-23-21(17)22)20(16-8-3-1-4-9-16)24-18-11-5-2-6-12-18/h1-15,20,24-25H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	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
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
					More data for this Ligand-Target Pair
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM50561135 (CHEMBL4740031) Show SMILES Cc1ccnc(NC(c2ccc(F)cc2)c2ccc3cccnc3c2O)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	140	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
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM156414 (US9023354, AD4-1505) Show SMILES COc1ccc(cc1O)C(Nc1cc(C)ccn1)c1ccc2cccnc2c1O Show InChI InChI=1S/C23H21N3O3/c1-14-9-11-24-20(12-14)26-21(16-6-8-19(29-2)18(27)13-16)17-7-5-15-4-3-10-25-22(15)23(17)28/h3-13,21,27-28H,1-2H3,(H,24,26)	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	150	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
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM50561142 (CHEMBL1688556 | NSC-1010) Show SMILES Oc1c(ccc2cccnc12)C(Nc1ccc(cc1)[N+]([O-])=O)c1ccccc1 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	150	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
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM50561127 (CHEMBL591855 | SJ000112346) Show SMILES CCc1ccc(cc1)C(Nc1ccccn1)c1ccc2cccnc2c1O 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	170	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
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM50561125 (CHEMBL590899 | SJ000128935) Show SMILES Oc1c(ccc2cccnc12)C(Nc1ccccn1)c1ccc(Cl)cc1 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	170	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
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM50561114 (CHEMBL4780610) Show SMILES COc1cc(cc(OC)c1O)C(Nc1ccccn1)c1cc2OCOc2cc1O 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	170	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
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM41970 (6-[1-pyrrolidinyl-(3,4,5-trimethoxyphenyl)methyl]-...) Show SMILES COc1cc(cc(OC)c1OC)C(N1CCCC1)c1cc2OCOc2cc1O Show InChI InChI=1S/C21H25NO6/c1-24-18-8-13(9-19(25-2)21(18)26-3)20(22-6-4-5-7-22)14-10-16-17(11-15(14)23)28-12-27-16/h8-11,20,23H,4-7,12H2,1-3H3	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	180	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
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM50561124 (CHEMBL4790355) Show SMILES COc1cc(cc(OC)c1O)C(Nc1ccc(C)cn1)c1ccc2cccnc2c1O 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	180	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
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
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM50561162 (CHEMBL4776896) Show SMILES Oc1c(ccc2ccoc12)C(N1CCCCC1)c1ccc2OC(F)(F)Oc2c1 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	<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
					More data for this Ligand-Target Pair
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM50561144 (CHEMBL4782018) Show SMILES CCOC(=O)c1ccccc1NC(c1ccccc1)c1ccc2cccnc2c1O 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	<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
					More data for this Ligand-Target Pair
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM50561132 (CHEMBL1700391) Show SMILES Cc1ccnc(NC(c2ccccc2)c2ccc3cccnc3c2O)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	<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
					More data for this Ligand-Target Pair
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
					More data for this Ligand-Target Pair
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM50561111 (CHEMBL4751839) Show SMILES CN(C)c1ccc(cc1)C(N1CCCC1)c1cc2OCOc2cc1O 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	<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
					More data for this Ligand-Target Pair
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM41987 (6-[1,3-benzodioxol-5-yl(4-morpholinyl)methyl]-1,3-...) Show SMILES Oc1cc2OCOc2cc1C(N1CCOCC1)c1ccc2OCOc2c1 Show InChI InChI=1S/C19H19NO6/c21-14-9-18-17(25-11-26-18)8-13(14)19(20-3-5-22-6-4-20)12-1-2-15-16(7-12)24-10-23-15/h1-2,7-9,19,21H,3-6,10-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents 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
					More data for this Ligand-Target Pair
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM50561161 (CHEMBL4753606) Show SMILES Oc1c(ccc2ccoc12)C(N1CCCCC1)c1ccncc1 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	<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
					More data for this Ligand-Target Pair
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM50561106 (CHEMBL2323557 | NSC-368277) Show SMILES Oc1cc2OCOc2cc1C(N1CCOCC1)c1ccc(F)cc1 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	230	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
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM41981 (6-[(3-methoxy-4-oxidanyl-phenyl)-morpholin-4-yl-me...) Show SMILES COc1cc(ccc1O)C(N1CCOCC1)c1cc2OCOc2cc1O Show InChI InChI=1S/C19H21NO6/c1-23-16-8-12(2-3-14(16)21)19(20-4-6-24-7-5-20)13-9-17-18(10-15(13)22)26-11-25-17/h2-3,8-10,19,21-22H,4-7,11H2,1H3	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	230	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
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM50561108 (CHEMBL4799930) Show SMILES Oc1cc2OCOc2cc1C(N1CCCCC1)c1ccc(F)cc1 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	270	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
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM50561153 (CHEMBL4782811) Show SMILES Oc1c(ccc2OCCOc12)C(N1CCCCC1)c1ccc(F)cc1 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	290	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
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM50561180 (CHEMBL4763853) Show SMILES Oc1ccc2[nH]ncc2c1C(N1CCCCC1)c1ccc(cc1)-n1cccc1 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	290	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
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
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM50500101 (CHEMBL1979298) Show SMILES OC(=O)c1ccc(NC(c2ccccc2)c2ccc3cccnc3c2O)cc1 Show InChI InChI=1S/C23H18N2O3/c26-22-19(13-10-16-7-4-14-24-21(16)22)20(15-5-2-1-3-6-15)25-18-11-8-17(9-12-18)23(27)28/h1-14,20,25-26H,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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

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