Found 171 hits with Last Name = 'fröhlich' and Initial = 'r' 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)) | BDBM50293089
(2-Amino-7-{[(1,3-dihydroxypropan-2-yl)amino]methyl...)Show InChI InChI=1S/C10H15N5O3/c11-10-14-7-5(1-12-6(3-16)4-17)2-13-8(7)9(18)15-10/h2,6,12-13,16-17H,1,3-4H2,(H3,11,14,15,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.00200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50293090
(2-Amino-7-({[(2R,3S)-1,3,4-trihydroxybutan-2-yl]am...)Show SMILES Nc1nc2c(CN[C@H](CO)[C@H](O)CO)c[nH]c2c(=O)[nH]1 |r| Show InChI InChI=1S/C11H17N5O4/c12-11-15-8-5(2-14-9(8)10(20)16-11)1-13-6(3-17)7(19)4-18/h2,6-7,13-14,17-19H,1,3-4H2,(H3,12,15,16,20)/t6-,7-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.00300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
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
| 0.00500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50293087
(2-amino-7-(((3R,4R)-3-hydroxy-4-(hydroxymethyl)pyr...)Show SMILES Nc1nc2c(CN3C[C@H](O)[C@@H](CO)C3)c[nH]c2c(=O)[nH]1 |r| Show InChI InChI=1S/C12H17N5O3/c13-12-15-9-6(1-14-10(9)11(20)16-12)2-17-3-7(5-18)8(19)4-17/h1,7-8,14,18-19H,2-5H2,(H3,13,15,16,20)/t7-,8+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.00700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
| 0.00900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50293091
(7-({[(1R,2S)-2,3-DIHYDROXY-1-(HYDROXYMETHYL)PROPYL...)Show SMILES OC[C@@H](O)[C@@H](CO)NCc1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C11H16N4O4/c16-3-7(8(18)4-17)12-1-6-2-13-10-9(6)14-5-15-11(10)19/h2,5,7-8,12-13,16-18H,1,3-4H2,(H,14,15,19)/t7-,8-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 0.00900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50293086
((1S)-1,4-dideoxy-1,4-imino-1-(9-deazaguanin-9-yl)-...)Show SMILES Nc1nc2c(c[nH]c2c(=O)[nH]1)[C@@H]1N[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H15N5O4/c12-11-15-5-3(1-13-7(5)10(20)16-11)6-9(19)8(18)4(2-17)14-6/h1,4,6,8-9,13-14,17-19H,2H2,(H3,12,15,16,20)/t4-,6+,8-,9+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB Article PubMed
| 0.0420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
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
Similars
| MMDB PDB Article PubMed
| 0.0560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM22113
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r| Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis |
Bioorg Med Chem 20: 5181-7 (2012)
Article DOI: 10.1016/j.bmc.2012.07.006 BindingDB Entry DOI: 10.7270/Q2XG9S6F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50293060
(7-{(1S)-1-[(1,3-Dihydroxypropan-2-yl)amino]-2-hydr...)Show InChI InChI=1S/C11H16N4O4/c16-2-6(3-17)15-8(4-18)7-1-12-10-9(7)13-5-14-11(10)19/h1,5-6,8,12,15-18H,2-4H2,(H,13,14,19)/t8-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM22103
(7-{[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl}-3H...)Show InChI InChI=1S/C12H16N4O3/c17-5-12(6-18)3-16(4-12)2-8-1-13-10-9(8)14-7-15-11(10)19/h1,7,13,17-18H,2-6H2,(H,14,15,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.229 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50247158
(7-(((3S,4S)-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+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Similars
| MMDB Article PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50293061
(2-Amino-7-({[1,3-dihydroxy-2-(hydroxymethyl)propan...)Show InChI InChI=1S/C11H17N5O4/c12-10-15-7-6(1-13-8(7)9(20)16-10)2-14-11(3-17,4-18)5-19/h1,13-14,17-19H,2-5H2,(H3,12,15,16,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50293062
(7-{[(1,3-Dihydroxypropan-2-yl)(methyl)amino]methyl...)Show InChI InChI=1S/C11H16N4O3/c1-15(8(4-16)5-17)3-7-2-12-10-9(7)13-6-14-11(10)18/h2,6,8,12,16-17H,3-5H2,1H3,(H,13,14,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50293063
(7-{[(1,3-Dihydroxypropan-2-yl)(2-hydroxyethyl)amin...)Show InChI InChI=1S/C12H18N4O4/c17-2-1-16(9(5-18)6-19)4-8-3-13-11-10(8)14-7-15-12(11)20/h3,7,9,13,17-19H,1-2,4-6H2,(H,14,15,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.469 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50125099
(1-Benzyl-4-(4-methoxy-benzyl)-piperazine | 1-benzy...)Show InChI InChI=1S/C19H24N2O/c1-22-19-9-7-18(8-10-19)16-21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster
Curated by ChEMBL
| Assay Description Binding affinity to sigma 1 receptor (unknown origin) |
J Med Chem 52: 2126-37 (2009)
Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q |
More data for this Ligand-Target Pair | |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50293064
(7-({[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]am...)Show InChI InChI=1S/C11H16N4O4/c16-3-11(4-17,5-18)15-2-7-1-12-9-8(7)13-6-14-10(9)19/h1,6,12,15-18H,2-5H2,(H,13,14,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50293066
(3-((4-Hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)meth...)Show InChI InChI=1S/C10H14N4O2/c15-3-1-2-11-4-7-5-12-9-8(7)13-6-14-10(9)16/h5-6,11-12,15H,1-4H2,(H,13,14,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50293065
(7-({[(2R/S,3R/S)-3,4-Dihydroxy-2-(hydroxymethyl)bu...)Show InChI InChI=1S/C11H16N4O4/c16-3-7(8(18)4-17)12-1-6-2-13-10-9(6)14-5-15-11(10)19/h2,5,7-8,12-13,16-18H,1,3-4H2,(H,14,15,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50390240
(CHEMBL1195586)Show SMILES CSC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c(N)ncnc12 |r| Show InChI InChI=1S/C12H17N5O2S/c1-20-3-6-10(18)11(19)8(17-6)5-2-14-9-7(5)15-4-16-12(9)13/h2,4,6,8,10-11,14,17-19H,3H2,1H3,(H2,13,15,16)/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
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis |
Bioorg Med Chem 20: 5181-7 (2012)
Article DOI: 10.1016/j.bmc.2012.07.006 BindingDB Entry DOI: 10.7270/Q2XG9S6F |
More data for this Ligand-Target Pair | |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50293067
(7-({[(2S,3R)-1,3,4-Trihydroxybutan-2-yl]amino}meth...)Show SMILES OC[C@H](O)[C@H](CO)NCc1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C11H16N4O4/c16-3-7(8(18)4-17)12-1-6-2-13-10-9(6)14-5-15-11(10)19/h2,5,7-8,12-13,16-18H,1,3-4H2,(H,14,15,19)/t7-,8-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50293068
(7-{[(2-Hydroxyethyl)amino]methyl}-3,5-dihydro-4H-p...)Show InChI InChI=1S/C9H12N4O2/c14-2-1-10-3-6-4-11-8-7(6)12-5-13-9(8)15/h4-5,10-11,14H,1-3H2,(H,12,13,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50108653
(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)Show InChI InChI=1S/C21H25NO2/c1-23-20-15-18-9-5-6-10-19(18)21(24-20)11-13-22(14-12-21)16-17-7-3-2-4-8-17/h2-10,20H,11-16H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster
Curated by ChEMBL
| Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain by scintillation analyzer |
Bioorg Med Chem 19: 3141-51 (2011)
Article DOI: 10.1016/j.bmc.2011.04.002 BindingDB Entry DOI: 10.7270/Q2D21XXP |
More data for this Ligand-Target Pair | |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50293069
(7-{[Bis(2-hydroxyethyl)amino]methyl}-3,5-dihydro-4...)Show InChI InChI=1S/C11H16N4O3/c16-3-1-15(2-4-17)6-8-5-12-10-9(8)13-7-14-11(10)18/h5,7,12,16-17H,1-4,6H2,(H,13,14,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50039029
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r| Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
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| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t
Curated by ChEMBL
| Assay Description Displacement of [3H]deltorphine 2 from human delta opioid receptor expressed in CHOK1 cells |
Bioorg Med Chem 16: 2870-85 (2008)
Article DOI: 10.1016/j.bmc.2008.01.004 BindingDB Entry DOI: 10.7270/Q2416XXR |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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| PDB Article PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University M£nster
Curated by ChEMBL
| Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane |
J Med Chem 50: 6144-53 (2007)
Article DOI: 10.1021/jm070620b BindingDB Entry DOI: 10.7270/Q28K79XF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50035131
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University M£nster
Curated by ChEMBL
| Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane |
J Med Chem 50: 6144-53 (2007)
Article DOI: 10.1021/jm070620b BindingDB Entry DOI: 10.7270/Q28K79XF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50293070
(7-({[3-Hydroxy-2-(hydroxymethyl)propyl](methyl)ami...)Show InChI InChI=1S/C12H18N4O3/c1-16(3-8(5-17)6-18)4-9-2-13-11-10(9)14-7-15-12(11)19/h2,7-8,13,17-18H,3-6H2,1H3,(H,14,15,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster
Curated by ChEMBL
| Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis |
J Med Chem 52: 2126-37 (2009)
Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50293071
(7-({[(2S)-2,3-Dihydroxypropyl]amino}methyl)-3,5-di...)Show InChI InChI=1S/C10H14N4O3/c15-4-7(16)3-11-1-6-2-12-9-8(6)13-5-14-10(9)17/h2,5,7,11-12,15-16H,1,3-4H2,(H,13,14,17)/t7-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50035131
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster
Curated by ChEMBL
| Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis |
J Med Chem 52: 2126-37 (2009)
Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50293072
(7-({[(2R,3R)-1,3,4-Trihydroxybutan-2-yl]amino}meth...)Show SMILES OC[C@H](O)[C@@H](CO)NCc1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C11H16N4O4/c16-3-7(8(18)4-17)12-1-6-2-13-10-9(6)14-5-15-11(10)19/h2,5,7-8,12-13,16-18H,1,3-4H2,(H,14,15,19)/t7-,8+/m1/s1 | 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 |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50390242
(CHEMBL2070308)Show InChI InChI=1S/C11H17N5OS/c1-18-5-8(4-17)13-2-7-3-14-10-9(7)15-6-16-11(10)12/h3,6,8,13-14,17H,2,4-5H2,1H3,(H2,12,15,16)/t8-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis |
Bioorg Med Chem 20: 5181-7 (2012)
Article DOI: 10.1016/j.bmc.2012.07.006 BindingDB Entry DOI: 10.7270/Q2XG9S6F |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50390245
(CHEMBL2070311)Show SMILES CSC[C@@H](O)[C@@H](CO)NCc1c[nH]c2c(N)ncnc12 |r| Show InChI InChI=1S/C12H19N5O2S/c1-20-5-9(19)8(4-18)14-2-7-3-15-11-10(7)16-6-17-12(11)13/h3,6,8-9,14-15,18-19H,2,4-5H2,1H3,(H2,13,16,17)/t8-,9-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis |
Bioorg Med Chem 20: 5181-7 (2012)
Article DOI: 10.1016/j.bmc.2012.07.006 BindingDB Entry DOI: 10.7270/Q2XG9S6F |
More data for this Ligand-Target Pair | |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50293073
(7-({[(2S,3S)-1,3,4-Trihydroxybutan-2-yl]amino}meth...)Show SMILES OC[C@@H](O)[C@H](CO)NCc1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C11H16N4O4/c16-3-7(8(18)4-17)12-1-6-2-13-10-9(6)14-5-15-11(10)19/h2,5,7-8,12-13,16-18H,1,3-4H2,(H,14,15,19)/t7-,8+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50035131
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1 | PDB
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| CHEMBL PC cid PC sid PDB UniChem
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| PDB Article PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster
Curated by ChEMBL
| Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain by scintillation analyzer |
Bioorg Med Chem 19: 3141-51 (2011)
Article DOI: 10.1016/j.bmc.2011.04.002 BindingDB Entry DOI: 10.7270/Q2D21XXP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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Patents
Similars
| PDB Article PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster
Curated by ChEMBL
| Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain by scintillation analyzer |
Bioorg Med Chem 19: 3141-51 (2011)
Article DOI: 10.1016/j.bmc.2011.04.002 BindingDB Entry DOI: 10.7270/Q2D21XXP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50225871
((+)-(1R,2R,5S)-6-Benzyl-8-(4-methoxybenzyl)-6,8-di...)Show SMILES COc1ccc(CN2C[C@@H]3CC[C@@H](O)[C@H]2CN3Cc2ccccc2)cc1 |r,TLB:6:7:16.15:10.11.12,13:12:16.15:8.7,THB:17:16:8.7:10.11.12| Show InChI InChI=1S/C22H28N2O2/c1-26-20-10-7-18(8-11-20)14-24-15-19-9-12-22(25)21(24)16-23(19)13-17-5-3-2-4-6-17/h2-8,10-11,19,21-22,25H,9,12-16H2,1H3/t19-,21+,22+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University M£nster
Curated by ChEMBL
| Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane |
J Med Chem 50: 6144-53 (2007)
Article DOI: 10.1021/jm070620b BindingDB Entry DOI: 10.7270/Q28K79XF |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50225870
((-)-(1S,2S,5R)-6-benzyl-8-(4-methoxybenzyl)-6,8-di...)Show SMILES COc1ccc(CN2C[C@H]3CC[C@H](O)[C@@H]2CN3Cc2ccccc2)cc1 |TLB:6:7:16.15:10.11.12,13:12:16.15:8.7| Show InChI InChI=1S/C22H28N2O2/c1-26-20-10-7-18(8-11-20)14-24-15-19-9-12-22(25)21(24)16-23(19)13-17-5-3-2-4-6-17/h2-8,10-11,19,21-22,25H,9,12-16H2,1H3/t19-,21+,22+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University M£nster
Curated by ChEMBL
| Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane |
J Med Chem 50: 6144-53 (2007)
Article DOI: 10.1021/jm070620b BindingDB Entry DOI: 10.7270/Q28K79XF |
More data for this Ligand-Target Pair | |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50293074
(7-({Methyl[(2R,3S)-1,3,4-trihydroxybutan-2-yl]amin...)Show SMILES CN(Cc1c[nH]c2c1nc[nH]c2=O)[C@H](CO)[C@H](O)CO |r| Show InChI InChI=1S/C12H18N4O4/c1-16(8(4-17)9(19)5-18)3-7-2-13-11-10(7)14-6-15-12(11)20/h2,6,8-9,13,17-19H,3-5H2,1H3,(H,14,15,20)/t8-,9-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50390244
(CHEMBL2070310)Show InChI InChI=1S/C12H19N5OS/c1-19-6-8(5-18)2-14-3-9-4-15-11-10(9)16-7-17-12(11)13/h4,7-8,14-15,18H,2-3,5-6H2,1H3,(H2,13,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis |
Bioorg Med Chem 20: 5181-7 (2012)
Article DOI: 10.1016/j.bmc.2012.07.006 BindingDB Entry DOI: 10.7270/Q2XG9S6F |
More data for this Ligand-Target Pair | |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50293088
(7-((2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)py...)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+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Similars
| MMDB Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50257493
((R)-(1-benzyl-4-(4-methoxybenzyl)piperazin-2-yl)me...)Show SMILES COc1ccc(CN2CCN(Cc3ccccc3)[C@@H](CO)C2)cc1 |r| Show InChI InChI=1S/C20H26N2O2/c1-24-20-9-7-18(8-10-20)13-21-11-12-22(19(15-21)16-23)14-17-5-3-2-4-6-17/h2-10,19,23H,11-16H2,1H3/t19-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster
Curated by ChEMBL
| Assay Description Binding affinity to sigma 1 receptor (unknown origin) |
J Med Chem 52: 2126-37 (2009)
Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50390241
(CHEMBL2070307)Show InChI InChI=1S/C11H17N5OS/c1-18-5-8(4-17)13-2-7-3-14-10-9(7)15-6-16-11(10)12/h3,6,8,13-14,17H,2,4-5H2,1H3,(H2,12,15,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis |
Bioorg Med Chem 20: 5181-7 (2012)
Article DOI: 10.1016/j.bmc.2012.07.006 BindingDB Entry DOI: 10.7270/Q2XG9S6F |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50390255
(CHEMBL2070405)Show SMILES CSC[C@@H](CN(C)Cc1c[nH]c2c(N)ncnc12)[C@@H](O)CO |r| Show InChI InChI=1S/C14H23N5O2S/c1-19(5-10(7-22-2)11(21)6-20)4-9-3-16-13-12(9)17-8-18-14(13)15/h3,8,10-11,16,20-21H,4-7H2,1-2H3,(H2,15,17,18)/t10-,11+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis |
Bioorg Med Chem 20: 5181-7 (2012)
Article DOI: 10.1016/j.bmc.2012.07.006 BindingDB Entry DOI: 10.7270/Q2XG9S6F |
More data for this Ligand-Target Pair | |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50293075
(7-({[3-Hydroxy-2-(hydroxymethyl)propyl]amino}methy...)Show InChI InChI=1S/C11H16N4O3/c16-4-7(5-17)1-12-2-8-3-13-10-9(8)14-6-15-11(10)18/h3,6-7,12-13,16-17H,1-2,4-5H2,(H,14,15,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50293076
(7-({[(2R)-2,3-Dihydroxypropyl]amino}methyl)-3,5-di...)Show InChI InChI=1S/C10H14N4O3/c15-4-7(16)3-11-1-6-2-12-9-8(6)13-5-14-10(9)17/h2,5,7,11-12,15-16H,1,3-4H2,(H,13,14,17)/t7-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50344436
(CHEMBL1780000 | cis-N-Benzyl-3-methoxy-N-methyl-3,...)Show SMILES COC1Cc2ccccc2[C@]2(CC[C@@H](CC2)N(C)Cc2ccccc2)O1 |r,wU:10.27,13.17,(13.82,-18.64,;12.48,-19.41,;12.48,-20.95,;13.81,-21.73,;13.81,-23.27,;15.12,-24.03,;15.12,-25.55,;13.79,-26.32,;12.47,-25.55,;12.48,-24.03,;11.14,-23.26,;9.87,-23.68,;8.23,-23.05,;7.47,-24.41,;8.65,-23.99,;10.38,-24.6,;6.13,-23.64,;4.79,-24.41,;6.13,-22.09,;7.47,-21.32,;8.8,-22.1,;10.13,-21.32,;10.13,-19.77,;8.79,-19.01,;7.45,-19.78,;11.14,-21.73,)| Show InChI InChI=1S/C23H29NO2/c1-24(17-18-8-4-3-5-9-18)20-12-14-23(15-13-20)21-11-7-6-10-19(21)16-22(25-2)26-23/h3-11,20,22H,12-17H2,1-2H3/t20-,22?,23+ | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster
Curated by ChEMBL
| Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain by scintillation analyzer |
Bioorg Med Chem 19: 3141-51 (2011)
Article DOI: 10.1016/j.bmc.2011.04.002 BindingDB Entry DOI: 10.7270/Q2D21XXP |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50225873
((-)-(1R,2S,5S)-6-benzyl-2-methoxy-8-(4-methoxybenz...)Show SMILES CO[C@H]1CC[C@H]2CN(Cc3ccc(OC)cc3)[C@@H]1CN2Cc1ccccc1 |TLB:8:7:19.18:4.3.2,1:2:19.18:6.7| Show InChI InChI=1S/C23H30N2O2/c1-26-21-11-8-19(9-12-21)15-25-16-20-10-13-23(27-2)22(25)17-24(20)14-18-6-4-3-5-7-18/h3-9,11-12,20,22-23H,10,13-17H2,1-2H3/t20-,22+,23-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University M£nster
Curated by ChEMBL
| Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane |
J Med Chem 50: 6144-53 (2007)
Article DOI: 10.1021/jm070620b BindingDB Entry DOI: 10.7270/Q28K79XF |
More data for this Ligand-Target Pair | |
Purine nucleoside phosphorylase
(Homo sapiens (Human)) | BDBM50293077
(7-{[(4-Hydroxybutyl)amino]methyl}-3,5-dihydro-4H-p...)Show InChI InChI=1S/C11H16N4O2/c16-4-2-1-3-12-5-8-6-13-10-9(8)14-7-15-11(10)17/h6-7,12-13,16H,1-5H2,(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
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited
Curated by ChEMBL
| Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay |
J Med Chem 52: 1126-43 (2009)
Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 |
More data for this Ligand-Target Pair | |