Found 90 hits with Last Name = 'lenz' and Initial = 'dh' 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 |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170092
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C18H22ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,18,21,25H,6-9,20H2,(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0100 | 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 as equilibrium dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170082
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show InChI InChI=1S/C14H23N5OS/c1-2-21-7-10-5-19(6-11(10)20)4-9-3-16-13-12(9)17-8-18-14(13)15/h3,8,10-11,14,16,20H,2,4-7,15H2,1H3,(H,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0340 | 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 as equilibrium dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170089
(1-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-ylmethyl)-...)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| 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 as equilibrium dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170086
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show SMILES CCCCSCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O |c:17| Show InChI InChI=1S/C16H27N5OS/c1-2-3-4-23-9-12-7-21(8-13(12)22)6-11-5-18-15-14(11)19-10-20-16(15)17/h5,10,12-13,16,18,22H,2-4,6-9,17H2,1H3,(H,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.110 | 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 as equilibrium dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170095
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show SMILES CCCSCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O |c:16| Show InChI InChI=1S/C15H25N5OS/c1-2-3-22-8-11-6-20(7-12(11)21)5-10-4-17-14-13(10)18-9-19-15(14)16/h4,9,11-12,15,17,21H,2-3,5-8,16H2,1H3,(H,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.120 | 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 as equilibrium dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170091
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4ccncc4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C17H22N6OS/c18-17-16-15(21-10-22-17)11(5-20-16)6-23-7-12(14(24)8-23)9-25-13-1-3-19-4-2-13/h1-5,10,12,14,17,20,24H,6-9,18H2,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.160 | 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 as equilibrium dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170098
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4ccc(F)cc4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C18H22FN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,18,21,25H,6-9,20H2,(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.160 | 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 as equilibrium dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170083
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4ccccc4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C18H23N5OS/c19-18-17-16(21-11-22-18)12(6-20-17)7-23-8-13(15(24)9-23)10-25-14-4-2-1-3-5-14/h1-6,11,13,15,18,20,24H,7-10,19H2,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.170 | 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 as equilibrium dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170097
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show SMILES CC(C)SCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O |c:16| Show InChI InChI=1S/C15H25N5OS/c1-9(2)22-7-11-5-20(6-12(11)21)4-10-3-17-14-13(10)18-8-19-15(14)16/h3,8-9,11-12,15,17,21H,4-7,16H2,1-2H3,(H,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.260 | 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 as equilibrium dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170088
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4cccc(Cl)c4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C18H22ClN5OS/c19-13-2-1-3-14(4-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,18,21,25H,6-9,20H2,(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.270 | 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 as equilibrium dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170086
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show SMILES CCCCSCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O |c:17| Show InChI InChI=1S/C16H27N5OS/c1-2-3-4-23-9-12-7-21(8-13(12)22)6-11-5-18-15-14(11)19-10-20-16(15)17/h5,10,12-13,16,18,22H,2-4,6-9,17H2,1H3,(H,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.280 | 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 as initial dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170092
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C18H22ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,18,21,25H,6-9,20H2,(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.360 | 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 as initial dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170094
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSC4CCCCC4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C18H29N5OS/c19-18-17-16(21-11-22-18)12(6-20-17)7-23-8-13(15(24)9-23)10-25-14-4-2-1-3-5-14/h6,11,13-15,18,20,24H,1-5,7-10,19H2,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.370 | 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 as equilibrium dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170082
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show InChI InChI=1S/C14H23N5OS/c1-2-21-7-10-5-19(6-11(10)20)4-9-3-16-13-12(9)17-8-18-14(13)15/h3,8,10-11,14,16,20H,2,4-7,15H2,1H3,(H,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.650 | 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 as initial dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM36497
(CHEMBL191436 | DADMe-ImmA-Bn)Show SMILES Nc1ncnc2c(CN3CC(O)C(CSCc4ccccc4)C3)c[nH]c12 Show InChI InChI=1S/C19H23N5OS/c20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13/h1-6,12,15-16,21,25H,7-11H2,(H2,20,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 0.700 | 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 as equilibrium dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170094
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSC4CCCCC4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C18H29N5OS/c19-18-17-16(21-11-22-18)12(6-20-17)7-23-8-13(15(24)9-23)10-25-14-4-2-1-3-5-14/h6,11,13-15,18,20,24H,1-5,7-10,19H2,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.760 | 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 as initial dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170098
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4ccc(F)cc4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C18H22FN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,18,21,25H,6-9,20H2,(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.810 | 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 as initial dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170097
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show SMILES CC(C)SCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O |c:16| Show InChI InChI=1S/C15H25N5OS/c1-9(2)22-7-11-5-20(6-12(11)21)4-10-3-17-14-13(10)18-8-19-15(14)16/h3,8-9,11-12,15,17,21H,4-7,16H2,1-2H3,(H,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | 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 as initial dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170093
(2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-di...)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)/p+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| 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 as equilibrium dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170095
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show SMILES CCCSCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O |c:16| Show InChI InChI=1S/C15H25N5OS/c1-2-3-22-8-11-6-20(7-12(11)21)5-10-4-17-14-13(10)18-9-19-15(14)16/h4,9,11-12,15,17,21H,2-3,5-8,16H2,1H3,(H,18,19) | 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 MTAP as initial dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM36497
(CHEMBL191436 | DADMe-ImmA-Bn)Show SMILES Nc1ncnc2c(CN3CC(O)C(CSCc4ccccc4)C3)c[nH]c12 Show InChI InChI=1S/C19H23N5OS/c20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13/h1-6,12,15-16,21,25H,7-11H2,(H2,20,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 1.40 | 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 as initial dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170083
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4ccccc4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C18H23N5OS/c19-18-17-16(21-11-22-18)12(6-20-17)7-23-8-13(15(24)9-23)10-25-14-4-2-1-3-5-14/h1-6,11,13,15,18,20,24H,7-10,19H2,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.5 | 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 MTAP as initial dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170089
(1-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-ylmethyl)-...)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 1.70 | 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 MTAP as initial dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170088
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4cccc(Cl)c4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C18H22ClN5OS/c19-13-2-1-3-14(4-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,18,21,25H,6-9,20H2,(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | 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 as initial dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170091
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4ccncc4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C17H22N6OS/c18-17-16-15(21-10-22-17)11(5-20-16)6-23-7-12(14(24)8-23)9-25-13-1-3-19-4-2-13/h1-5,10,12,14,17,20,24H,6-9,18H2,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | 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 as initial dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170084
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show InChI InChI=1S/C14H23N5O/c1-2-3-9-5-19(7-11(9)20)6-10-4-16-13-12(10)17-8-18-14(13)15/h4,8-9,11,14,16,20H,2-3,5-7,15H2,1H3,(H,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | 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 as equilibrium dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170087
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show InChI InChI=1S/C13H21N5O2/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,13,15,19H,3-6,14H2,1H3,(H,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8 | 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 as equilibrium dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170087
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show InChI InChI=1S/C13H21N5O2/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,13,15,19H,3-6,14H2,1H3,(H,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14 | 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 as initial dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170084
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show InChI InChI=1S/C14H23N5O/c1-2-3-9-5-19(7-11(9)20)6-10-4-16-13-12(10)17-8-18-14(13)15/h4,8-9,11,14,16,20H,2-3,5-7,15H2,1H3,(H,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 22 | 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 as initial dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170093
(2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-di...)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)/p+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 26 | 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 as initial dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170096
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show SMILES NC1NC=Nc2c(CN3CC(O)C(COCc4ccccc4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C19H25N5O2/c20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13/h1-6,12,15-16,19,21,25H,7-11,20H2,(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 42 | 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 as equilibrium dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170090
(1-(7-Amino-1H-pyrazolo[4,3-d]pyrimidin-3-ylmethyl)...)Show SMILES Nc1ncnc2c(CN3CC(O)C(CSCc4ccccc4)C3)[nH]nc12 Show InChI InChI=1S/C18H22N6OS/c19-18-17-16(20-11-21-18)14(22-23-17)7-24-6-13(15(25)8-24)10-26-9-12-4-2-1-3-5-12/h1-5,11,13,15,25H,6-10H2,(H,22,23)(H2,19,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 55 | 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 as initial dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170096
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show SMILES NC1NC=Nc2c(CN3CC(O)C(COCc4ccccc4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C19H25N5O2/c20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13/h1-6,12,15-16,19,21,25H,7-11,20H2,(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 85 | 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 as initial dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
S-methyl-5'-thioadenosine phosphorylase
(Homo sapiens (Human)) | BDBM50170099
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)Show SMILES NC1NC=Nc2c(CN3CC(O)C(CCCc4ccccc4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C20H27N5O/c21-20-19-18(23-13-24-20)16(9-22-19)11-25-10-15(17(26)12-25)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9,13,15,17,20,22,26H,4,7-8,10-12,21H2,(H,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >2.00E+3 | 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 as initial dissociation constant |
J Med Chem 48: 4679-89 (2005)
Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR |
More data for this Ligand-Target Pair | |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Klebsiella pneumoniae) | BDBM36496
(CHEMBL552894 | ImmA-pClPh)Show SMILES Nc1ncnc2c(c[nH]c12)C1NC(CSc2ccc(Cl)cc2)C(O)C1O Show InChI InChI=1S/C17H18ClN5O2S/c18-8-1-3-9(4-2-8)26-6-11-15(24)16(25)13(23-11)10-5-20-14-12(10)21-7-22-17(14)19/h1-5,7,11,13,15-16,20,23-25H,6H2,(H2,19,21,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 4.10 | n/a | n/a | n/a | 7.5 | 25 |
Albert Einstein College of Medicine
| Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP. |
ACS Chem Biol 2: 725-34 (2007)
Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W |
More data for this Ligand-Target Pair | |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Klebsiella pneumoniae) | BDBM36498
(DADMe-ImmA-p-ClPh)Show SMILES Nc1ncnc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12 Show InChI InChI=1S/C18H20ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,21,25H,6-9H2,(H2,20,22,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | 7.5 | 25 |
Albert Einstein College of Medicine
| Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP. |
ACS Chem Biol 2: 725-34 (2007)
Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Staphylococcus aureus) | BDBM50170093
(2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-di...)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)/p+1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 77 | n/a | n/a | n/a | 7.5 | 25 |
Albert Einstein College of Medicine
| Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP. |
ACS Chem Biol 2: 725-34 (2007)
Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W |
More data for this Ligand-Target Pair | |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Staphylococcus aureus) | 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
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
DrugBank MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | 7.5 | 25 |
Albert Einstein College of Medicine
| Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP. |
ACS Chem Biol 2: 725-34 (2007)
Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W |
More data for this Ligand-Target Pair | |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Staphylococcus aureus) | BDBM36494
(CHEMBL554965 | ImmA-Et)Show InChI InChI=1S/C13H19N5O2S/c1-2-21-4-7-11(19)12(20)9(18-7)6-3-15-10-8(6)16-5-17-13(10)14/h3,5,7,9,11-12,15,18-20H,2,4H2,1H3,(H2,14,16,17) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 12 | n/a | n/a | n/a | 7.5 | 25 |
Albert Einstein College of Medicine
| Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP. |
ACS Chem Biol 2: 725-34 (2007)
Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W |
More data for this Ligand-Target Pair | |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Staphylococcus aureus) | BDBM36435
((3R,4S)-1-[(9-Deaza-adenin-9-yl)methyl]-4-ethylthi...)Show SMILES CCSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O Show InChI InChI=1S/C14H21N5OS/c1-2-21-7-10-5-19(6-11(10)20)4-9-3-16-13-12(9)17-8-18-14(13)15/h3,8,10-11,16,20H,2,4-7H2,1H3,(H2,15,17,18)/t10-,11+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | 7.5 | 25 |
Albert Einstein College of Medicine
| Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP. |
ACS Chem Biol 2: 725-34 (2007)
Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W |
More data for this Ligand-Target Pair | |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Staphylococcus aureus) | BDBM36495
(CHEMBL554642 | ImmA-Bn)Show SMILES Nc1ncnc2c(c[nH]c12)C1NC(CSCc2ccccc2)C(O)C1O Show InChI InChI=1S/C18H21N5O2S/c19-18-15-13(21-9-22-18)11(6-20-15)14-17(25)16(24)12(23-14)8-26-7-10-4-2-1-3-5-10/h1-6,9,12,14,16-17,20,23-25H,7-8H2,(H2,19,21,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 12 | n/a | n/a | n/a | 7.5 | 25 |
Albert Einstein College of Medicine
| Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP. |
ACS Chem Biol 2: 725-34 (2007)
Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W |
More data for this Ligand-Target Pair | |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Staphylococcus aureus) | BDBM36497
(CHEMBL191436 | DADMe-ImmA-Bn)Show SMILES Nc1ncnc2c(CN3CC(O)C(CSCc4ccccc4)C3)c[nH]c12 Show InChI InChI=1S/C19H23N5OS/c20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13/h1-6,12,15-16,21,25H,7-11H2,(H2,20,22,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 0.841 | n/a | n/a | n/a | 7.5 | 25 |
Albert Einstein College of Medicine
| Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP. |
ACS Chem Biol 2: 725-34 (2007)
Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W |
More data for this Ligand-Target Pair | |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Staphylococcus aureus) | BDBM36496
(CHEMBL552894 | ImmA-pClPh)Show SMILES Nc1ncnc2c(c[nH]c12)C1NC(CSc2ccc(Cl)cc2)C(O)C1O Show InChI InChI=1S/C17H18ClN5O2S/c18-8-1-3-9(4-2-8)26-6-11-15(24)16(25)13(23-11)10-5-20-14-12(10)21-7-22-17(14)19/h1-5,7,11,13,15-16,20,23-25H,6H2,(H2,19,21,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 53 | n/a | n/a | n/a | 7.5 | 25 |
Albert Einstein College of Medicine
| Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP. |
ACS Chem Biol 2: 725-34 (2007)
Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W |
More data for this Ligand-Target Pair | |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Staphylococcus aureus) | BDBM36498
(DADMe-ImmA-p-ClPh)Show SMILES Nc1ncnc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12 Show InChI InChI=1S/C18H20ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,21,25H,6-9H2,(H2,20,22,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 8 | n/a | n/a | n/a | 7.5 | 25 |
Albert Einstein College of Medicine
| Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP. |
ACS Chem Biol 2: 725-34 (2007)
Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W |
More data for this Ligand-Target Pair | |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Escherichia coli (strain K12)) | BDBM50170093
(2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-di...)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)/p+1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 0.0770 | n/a | n/a | n/a | 7.5 | 25 |
Albert Einstein College of Medicine
| Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP. |
ACS Chem Biol 2: 725-34 (2007)
Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W |
More data for this Ligand-Target Pair | 3D Structure (docked) |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Escherichia coli (strain K12)) | 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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
DrugBank MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 0.00200 | n/a | n/a | n/a | 7.5 | 25 |
Albert Einstein College of Medicine
| Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP. |
ACS Chem Biol 2: 725-34 (2007)
Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Escherichia coli (strain K12)) | BDBM36494
(CHEMBL554965 | ImmA-Et)Show InChI InChI=1S/C13H19N5O2S/c1-2-21-4-7-11(19)12(20)9(18-7)6-3-15-10-8(6)16-5-17-13(10)14/h3,5,7,9,11-12,15,18-20H,2,4H2,1H3,(H2,14,16,17) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 0.0270 | n/a | n/a | n/a | 7.5 | 25 |
Albert Einstein College of Medicine
| Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP. |
ACS Chem Biol 2: 725-34 (2007)
Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W |
More data for this Ligand-Target Pair | 3D Structure (docked) |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Escherichia coli (strain K12)) | BDBM36435
((3R,4S)-1-[(9-Deaza-adenin-9-yl)methyl]-4-ethylthi...)Show SMILES CCSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O Show InChI InChI=1S/C14H21N5OS/c1-2-21-7-10-5-19(6-11(10)20)4-9-3-16-13-12(9)17-8-18-14(13)15/h3,8,10-11,16,20H,2,4-7H2,1H3,(H2,15,17,18)/t10-,11+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 0.000950 | n/a | n/a | n/a | 7.5 | 25 |
Albert Einstein College of Medicine
| Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP. |
ACS Chem Biol 2: 725-34 (2007)
Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W |
More data for this Ligand-Target Pair | 3D Structure (docked) |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Escherichia coli (strain K12)) | BDBM36495
(CHEMBL554642 | ImmA-Bn)Show SMILES Nc1ncnc2c(c[nH]c12)C1NC(CSCc2ccccc2)C(O)C1O Show InChI InChI=1S/C18H21N5O2S/c19-18-15-13(21-9-22-18)11(6-20-15)14-17(25)16(24)12(23-14)8-26-7-10-4-2-1-3-5-10/h1-6,9,12,14,16-17,20,23-25H,7-8H2,(H2,19,21,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 0.0120 | n/a | n/a | n/a | 7.5 | 25 |
Albert Einstein College of Medicine
| Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP. |
ACS Chem Biol 2: 725-34 (2007)
Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W |
More data for this Ligand-Target Pair | 3D Structure (docked) |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Escherichia coli (strain K12)) | BDBM36497
(CHEMBL191436 | DADMe-ImmA-Bn)Show SMILES Nc1ncnc2c(CN3CC(O)C(CSCc4ccccc4)C3)c[nH]c12 Show InChI InChI=1S/C19H23N5OS/c20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13/h1-6,12,15-16,21,25H,7-11H2,(H2,20,22,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 0.000460 | n/a | n/a | n/a | 7.5 | 25 |
Albert Einstein College of Medicine
| Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP. |
ACS Chem Biol 2: 725-34 (2007)
Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |