Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50038704 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 |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50246593
(7-((1,3-dihydroxypropan-2-ylamino)methyl)-3H-pyrro...)Show InChI InChI=1S/C10H14N4O3/c15-3-7(4-16)11-1-6-2-12-9-8(6)13-5-14-10(9)17/h2,5,7,11-12,15-16H,1,3-4H2,(H,13,14,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.00520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine of Yeshiva University
Curated by ChEMBL
| Assay Description Equilibrium binding affinity to wild type human PNP |
Bioorg Med Chem Lett 18: 5900-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.047 BindingDB Entry DOI: 10.7270/Q2SX6F4H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50246590
(7-(((3R,4S)-3-hydroxy-4-(propylthiomethyl)pyrrolid...)Show SMILES CCCSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C15H22N4O2S/c1-2-3-22-8-11-6-19(7-12(11)20)5-10-4-16-14-13(10)17-9-18-15(14)21/h4,9,11-12,16,20H,2-3,5-8H2,1H3,(H,17,18,21)/t11-,12+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.00980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine of Yeshiva University
Curated by ChEMBL
| Assay Description Equilibrium binding affinity to wild type human PNP |
Bioorg Med Chem Lett 18: 5900-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.047 BindingDB Entry DOI: 10.7270/Q2SX6F4H |
More data for this Ligand-Target Pair | |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM22109
(7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...)Show SMILES OC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C12H16N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19)/t8-,9+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| 0.0107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine of Yeshiva University
Curated by ChEMBL
| Assay Description Equilibrium binding affinity to wild type human PNP |
Bioorg Med Chem Lett 18: 5900-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.047 BindingDB Entry DOI: 10.7270/Q2SX6F4H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50247151
(7-(((3R,4S)-3-hydroxy-4-(methylthiomethyl)pyrrolid...)Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,14,18H,3-6H2,1H3,(H,15,16,19)/t9-,10+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0196 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine of Yeshiva University
Curated by ChEMBL
| Assay Description Equilibrium binding affinity to wild type human PNP |
Bioorg Med Chem Lett 18: 5900-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.047 BindingDB Entry DOI: 10.7270/Q2SX6F4H |
More data for this Ligand-Target Pair | |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50195587
(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)Show SMILES OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
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| MMDB PDB Article PubMed
| 0.0579 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine of Yeshiva University
Curated by ChEMBL
| Assay Description Equilibrium binding affinity to wild type human PNP |
Bioorg Med Chem Lett 18: 5900-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.047 BindingDB Entry DOI: 10.7270/Q2SX6F4H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50247151
(7-(((3R,4S)-3-hydroxy-4-(methylthiomethyl)pyrrolid...)Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,14,18H,3-6H2,1H3,(H,15,16,19)/t9-,10+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine of Yeshiva University
Curated by ChEMBL
| Assay Description Initial binding affinity to wild type human PNP |
Bioorg Med Chem Lett 18: 5900-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.047 BindingDB Entry DOI: 10.7270/Q2SX6F4H |
More data for this Ligand-Target Pair | |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50246593
(7-((1,3-dihydroxypropan-2-ylamino)methyl)-3H-pyrro...)Show InChI InChI=1S/C10H14N4O3/c15-3-7(4-16)11-1-6-2-12-9-8(6)13-5-14-10(9)17/h2,5,7,11-12,15-16H,1,3-4H2,(H,13,14,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine of Yeshiva University
Curated by ChEMBL
| Assay Description Initial binding affinity to wild type human PNP |
Bioorg Med Chem Lett 18: 5900-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.047 BindingDB Entry DOI: 10.7270/Q2SX6F4H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50246590
(7-(((3R,4S)-3-hydroxy-4-(propylthiomethyl)pyrrolid...)Show SMILES CCCSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C15H22N4O2S/c1-2-3-22-8-11-6-19(7-12(11)20)5-10-4-16-14-13(10)17-9-18-15(14)21/h4,9,11-12,16,20H,2-3,5-8H2,1H3,(H,17,18,21)/t11-,12+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine of Yeshiva University
Curated by ChEMBL
| Assay Description Initial binding affinity to wild type human PNP |
Bioorg Med Chem Lett 18: 5900-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.047 BindingDB Entry DOI: 10.7270/Q2SX6F4H |
More data for this Ligand-Target Pair | |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM22109
(7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...)Show SMILES OC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C12H16N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19)/t8-,9+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine of Yeshiva University
Curated by ChEMBL
| Assay Description Initial binding affinity to wild type human PNP |
Bioorg Med Chem Lett 18: 5900-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.047 BindingDB Entry DOI: 10.7270/Q2SX6F4H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50195587
(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)Show SMILES OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
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| MMDB PDB Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine of Yeshiva University
Curated by ChEMBL
| Assay Description Initial binding affinity to wild type human PNP |
Bioorg Med Chem Lett 18: 5900-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.047 BindingDB Entry DOI: 10.7270/Q2SX6F4H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50246594
((+/-)-7-((1-hydroxy-3-(methylthio)propan-2-ylamino...)Show InChI InChI=1S/C11H16N4O2S/c1-18-5-8(4-16)12-2-7-3-13-10-9(7)14-6-15-11(10)17/h3,6,8,12-13,16H,2,4-5H2,1H3,(H,14,15,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine of Yeshiva University
Curated by ChEMBL
| Assay Description Initial binding affinity to wild type human PNP |
Bioorg Med Chem Lett 18: 5900-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.047 BindingDB Entry DOI: 10.7270/Q2SX6F4H |
More data for this Ligand-Target Pair | |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50246591
((+/-)-5'-deoxy-4'-fluoro-5'-methylthio-DADMe-ImmH ...)Show SMILES CSC[C@@]1(F)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C13H17FN4O2S/c1-21-6-13(14)5-18(4-9(13)19)3-8-2-15-11-10(8)16-7-17-12(11)20/h2,7,9,15,19H,3-6H2,1H3,(H,16,17,20)/t9-,13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine of Yeshiva University
Curated by ChEMBL
| Assay Description Initial binding affinity to wild type human PNP |
Bioorg Med Chem Lett 18: 5900-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.047 BindingDB Entry DOI: 10.7270/Q2SX6F4H |
More data for this Ligand-Target Pair | |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50246592
(5'-deoxy-4'-hydroxy-5'-methylthio-DADMe-ImmH | CHE...)Show SMILES CSC[C@@]1(O)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C13H18N4O3S/c1-21-6-13(20)5-17(4-9(13)18)3-8-2-14-11-10(8)15-7-16-12(11)19/h2,7,9,14,18,20H,3-6H2,1H3,(H,15,16,19)/t9-,13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine of Yeshiva University
Curated by ChEMBL
| Assay Description Initial binding affinity to wild type human PNP |
Bioorg Med Chem Lett 18: 5900-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.047 BindingDB Entry DOI: 10.7270/Q2SX6F4H |
More data for this Ligand-Target Pair | |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50247149
(5'-Methylthio-ImmH | CHEMBL473929 | US9290501, (A))Show SMILES CSC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C12H16N4O3S/c1-20-3-6-10(17)11(18)8(16-6)5-2-13-9-7(5)14-4-15-12(9)19/h2,4,6,8,10-11,13,16-18H,3H2,1H3,(H,14,15,19)/t6-,8+,10-,11+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine of Yeshiva University
Curated by ChEMBL
| Assay Description Initial binding affinity to wild type human PNP |
Bioorg Med Chem Lett 18: 5900-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.047 BindingDB Entry DOI: 10.7270/Q2SX6F4H |
More data for this Ligand-Target Pair | |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50247150
(5'-phenylthio-ImmH | CHEMBL474328 | US9290501, (B))Show SMILES O[C@@H]1[C@@H](CSc2ccccc2)N[C@H]([C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C17H18N4O3S/c22-15-11(7-25-9-4-2-1-3-5-9)21-13(16(15)23)10-6-18-14-12(10)19-8-20-17(14)24/h1-6,8,11,13,15-16,18,21-23H,7H2,(H,19,20,24)/t11-,13+,15-,16+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine of Yeshiva University
Curated by ChEMBL
| Assay Description Initial binding affinity to wild type human PNP |
Bioorg Med Chem Lett 18: 5900-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.047 BindingDB Entry DOI: 10.7270/Q2SX6F4H |
More data for this Ligand-Target Pair | |