Found 312 hits with Last Name = 'velu' and Initial = 'se' 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 |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Trypanosoma cruzi) | BDBM50320792
(CHEMBL1165388 | Ethyl4-(5-[(2,4-diamino-6-quinazol...)Show SMILES CCOC(=O)CCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC Show InChI InChI=1S/C22H27N5O4/c1-3-30-20(28)5-4-10-31-19-12-15(7-9-18(19)29-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Trypanosoma cruzi) | BDBM50320791
(6-[(3,4-Dimethoxyanilino)methyl]-2,4-quinazolinedi...)Show InChI InChI=1S/C17H19N5O2/c1-23-14-6-4-11(8-15(14)24-2)20-9-10-3-5-13-12(7-10)16(18)22-17(19)21-13/h3-8,20H,9H2,1-2H3,(H4,18,19,21,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Trypanosoma cruzi) | BDBM50320793
(CHEMBL1165305 | Methyl5-(5-[(2,4-diamino-6-quinazo...)Show SMILES COC(=O)CCCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC Show InChI InChI=1S/C22H27N5O4/c1-29-18-9-7-15(12-19(18)31-10-4-3-5-20(28)30-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Trypanosoma cruzi) | BDBM50320794
(CHEMBL1165306 | Methyl4-[(5-[(2,4-diamino-6-quinaz...)Show SMILES COC(=O)c1ccc(COc2cc(NCc3ccc4nc(N)nc(N)c4c3)ccc2OC)cc1 Show InChI InChI=1S/C25H25N5O4/c1-32-21-10-8-18(12-22(21)34-14-15-3-6-17(7-4-15)24(31)33-2)28-13-16-5-9-20-19(11-16)23(26)30-25(27)29-20/h3-12,28H,13-14H2,1-2H3,(H4,26,27,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Trypanosoma cruzi) | BDBM50320790
(4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amino-2-m...)Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3c2)cc1OCCCC(O)=O Show InChI InChI=1S/C20H23N5O4/c1-28-16-7-5-13(10-17(16)29-8-2-3-18(26)27)23-11-12-4-6-15-14(9-12)19(21)25-20(22)24-15/h4-7,9-10,23H,2-3,8,11H2,1H3,(H,26,27)(H4,21,22,24,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Trypanosoma cruzi) | BDBM50320791
(6-[(3,4-Dimethoxyanilino)methyl]-2,4-quinazolinedi...)Show InChI InChI=1S/C17H19N5O2/c1-23-14-6-4-11(8-15(14)24-2)20-9-10-3-5-13-12(7-10)16(18)22-17(19)21-13/h3-8,20H,9H2,1-2H3,(H4,18,19,21,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi DHFR by Lineweaver-Burk plot |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Trypanosoma cruzi) | BDBM50320792
(CHEMBL1165388 | Ethyl4-(5-[(2,4-diamino-6-quinazol...)Show SMILES CCOC(=O)CCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC Show InChI InChI=1S/C22H27N5O4/c1-3-30-20(28)5-4-10-31-19-12-15(7-9-18(19)29-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| 5.68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi DHFR by Lineweaver-Burk plot |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Trypanosoma cruzi) | BDBM18268
(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50320792
(CHEMBL1165388 | Ethyl4-(5-[(2,4-diamino-6-quinazol...)Show SMILES CCOC(=O)CCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC Show InChI InChI=1S/C22H27N5O4/c1-3-30-20(28)5-4-10-31-19-12-15(7-9-18(19)29-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of human DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50320791
(6-[(3,4-Dimethoxyanilino)methyl]-2,4-quinazolinedi...)Show InChI InChI=1S/C17H19N5O2/c1-23-14-6-4-11(8-15(14)24-2)20-9-10-3-5-13-12(7-10)16(18)22-17(19)21-13/h3-8,20H,9H2,1-2H3,(H4,18,19,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 11.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of human DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50320793
(CHEMBL1165305 | Methyl5-(5-[(2,4-diamino-6-quinazo...)Show SMILES COC(=O)CCCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC Show InChI InChI=1S/C22H27N5O4/c1-29-18-9-7-15(12-19(18)31-10-4-3-5-20(28)30-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of human DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50320794
(CHEMBL1165306 | Methyl4-[(5-[(2,4-diamino-6-quinaz...)Show SMILES COC(=O)c1ccc(COc2cc(NCc3ccc4nc(N)nc(N)c4c3)ccc2OC)cc1 Show InChI InChI=1S/C25H25N5O4/c1-32-21-10-8-18(12-22(21)34-14-15-3-6-17(7-4-15)24(31)33-2)28-13-16-5-9-20-19(11-16)23(26)30-25(27)29-20/h3-12,28H,13-14H2,1-2H3,(H4,26,27,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 24.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of human DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Trypanosoma cruzi) | BDBM50320789
(CHEMBL1164234 | methyl5-{5-[[(2,4-diamino-6-quinaz...)Show SMILES CCCN(Cc1ccc2nc(N)nc(N)c2c1)c1ccc(OC)c(OCCCCC(=O)OC)c1 Show InChI InChI=1S/C25H33N5O4/c1-4-12-30(16-17-8-10-20-19(14-17)24(26)29-25(27)28-20)18-9-11-21(32-2)22(15-18)34-13-6-5-7-23(31)33-3/h8-11,14-15H,4-7,12-13,16H2,1-3H3,(H4,26,27,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 24.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50320790
(4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amino-2-m...)Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3c2)cc1OCCCC(O)=O Show InChI InChI=1S/C20H23N5O4/c1-28-16-7-5-13(10-17(16)29-8-2-3-18(26)27)23-11-12-4-6-15-14(9-12)19(21)25-20(22)24-15/h4-7,9-10,23H,2-3,8,11H2,1H3,(H,26,27)(H4,21,22,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 49.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of human DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50320789
(CHEMBL1164234 | methyl5-{5-[[(2,4-diamino-6-quinaz...)Show SMILES CCCN(Cc1ccc2nc(N)nc(N)c2c1)c1ccc(OC)c(OCCCCC(=O)OC)c1 Show InChI InChI=1S/C25H33N5O4/c1-4-12-30(16-17-8-10-20-19(14-17)24(26)29-25(27)28-20)18-9-11-21(32-2)22(15-18)34-13-6-5-7-23(31)33-3/h8-11,14-15H,4-7,12-13,16H2,1-3H3,(H4,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 188 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of human DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Trypanosoma cruzi) | BDBM18268
(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 20.2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Trypanosoma cruzi) | BDBM50320792
(CHEMBL1165388 | Ethyl4-(5-[(2,4-diamino-6-quinazol...)Show SMILES CCOC(=O)CCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC Show InChI InChI=1S/C22H27N5O4/c1-3-30-20(28)5-4-10-31-19-12-15(7-9-18(19)29-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 23.8 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Trypanosoma cruzi) | BDBM50320793
(CHEMBL1165305 | Methyl5-(5-[(2,4-diamino-6-quinazo...)Show SMILES COC(=O)CCCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC Show InChI InChI=1S/C22H27N5O4/c1-29-18-9-7-15(12-19(18)31-10-4-3-5-20(28)30-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Trypanosoma cruzi) | BDBM50320791
(6-[(3,4-Dimethoxyanilino)methyl]-2,4-quinazolinedi...)Show InChI InChI=1S/C17H19N5O2/c1-23-14-6-4-11(8-15(14)24-2)20-9-10-3-5-13-12(7-10)16(18)22-17(19)21-13/h3-8,20H,9H2,1-2H3,(H4,18,19,21,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 27.1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Trypanosoma cruzi) | BDBM50320794
(CHEMBL1165306 | Methyl4-[(5-[(2,4-diamino-6-quinaz...)Show SMILES COC(=O)c1ccc(COc2cc(NCc3ccc4nc(N)nc(N)c4c3)ccc2OC)cc1 Show InChI InChI=1S/C25H25N5O4/c1-32-21-10-8-18(12-22(21)34-14-15-3-6-17(7-4-15)24(31)33-2)28-13-16-5-9-20-19(11-16)23(26)30-25(27)29-20/h3-12,28H,13-14H2,1-2H3,(H4,26,27,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 57.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Trypanosoma cruzi) | BDBM50320790
(4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amino-2-m...)Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3c2)cc1OCCCC(O)=O Show InChI InChI=1S/C20H23N5O4/c1-28-16-7-5-13(10-17(16)29-8-2-3-18(26)27)23-11-12-4-6-15-14(9-12)19(21)25-20(22)24-15/h4-7,9-10,23H,2-3,8,11H2,1H3,(H,26,27)(H4,21,22,24,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50320792
(CHEMBL1165388 | Ethyl4-(5-[(2,4-diamino-6-quinazol...)Show SMILES CCOC(=O)CCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC Show InChI InChI=1S/C22H27N5O4/c1-3-30-20(28)5-4-10-31-19-12-15(7-9-18(19)29-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 68.3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of human DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18268
(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 80.9 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of human DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50320791
(6-[(3,4-Dimethoxyanilino)methyl]-2,4-quinazolinedi...)Show InChI InChI=1S/C17H19N5O2/c1-23-14-6-4-11(8-15(14)24-2)20-9-10-3-5-13-12(7-10)16(18)22-17(19)21-13/h3-8,20H,9H2,1-2H3,(H4,18,19,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 85.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of human DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50320793
(CHEMBL1165305 | Methyl5-(5-[(2,4-diamino-6-quinazo...)Show SMILES COC(=O)CCCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC Show InChI InChI=1S/C22H27N5O4/c1-29-18-9-7-15(12-19(18)31-10-4-3-5-20(28)30-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 93.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of human DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50320794
(CHEMBL1165306 | Methyl4-[(5-[(2,4-diamino-6-quinaz...)Show SMILES COC(=O)c1ccc(COc2cc(NCc3ccc4nc(N)nc(N)c4c3)ccc2OC)cc1 Show InChI InChI=1S/C25H25N5O4/c1-32-21-10-8-18(12-22(21)34-14-15-3-6-17(7-4-15)24(31)33-2)28-13-16-5-9-20-19(11-16)23(26)30-25(27)29-20/h3-12,28H,13-14H2,1-2H3,(H4,26,27,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of human DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50320790
(4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amino-2-m...)Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3c2)cc1OCCCC(O)=O Show InChI InChI=1S/C20H23N5O4/c1-28-16-7-5-13(10-17(16)29-8-2-3-18(26)27)23-11-12-4-6-15-14(9-12)19(21)25-20(22)24-15/h4-7,9-10,23H,2-3,8,11H2,1H3,(H,26,27)(H4,21,22,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 357 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of human DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Trypanosoma cruzi) | BDBM50320789
(CHEMBL1164234 | methyl5-{5-[[(2,4-diamino-6-quinaz...)Show SMILES CCCN(Cc1ccc2nc(N)nc(N)c2c1)c1ccc(OC)c(OCCCCC(=O)OC)c1 Show InChI InChI=1S/C25H33N5O4/c1-4-12-30(16-17-8-10-20-19(14-17)24(26)29-25(27)28-20)18-9-11-21(32-2)22(15-18)34-13-6-5-7-23(31)33-3/h8-11,14-15H,4-7,12-13,16H2,1-3H3,(H4,26,27,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 422 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | |
NH(3)-dependent NAD(+) synthetase
(Bacillus subtilis) | BDBM50370232
(BA-41166E | L-5103 | RIFAMPIN | Rifadin | Rifampic...)Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:33,t:3,35| Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Inhibitory activity against Bacillus subtilis NAD synthetase |
J Med Chem 46: 3371-81 (2003)
Article DOI: 10.1021/jm030003x BindingDB Entry DOI: 10.7270/Q25T3M6Q |
More data for this Ligand-Target Pair | |
NH(3)-dependent NAD(+) synthetase
(Bacillus subtilis) | BDBM50366389
(GENTAMICIN)Show SMILES CN[C@H](C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1 |r| Show InChI InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3/t9-,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Inhibitory activity against Bacillus subtilis NAD synthetase |
J Med Chem 46: 3371-81 (2003)
Article DOI: 10.1021/jm030003x BindingDB Entry DOI: 10.7270/Q25T3M6Q |
More data for this Ligand-Target Pair | |
NH(3)-dependent NAD(+) synthetase
(Bacillus subtilis) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Inhibitory activity against Bacillus subtilis NAD synthetase |
J Med Chem 46: 3371-81 (2003)
Article DOI: 10.1021/jm030003x BindingDB Entry DOI: 10.7270/Q25T3M6Q |
More data for this Ligand-Target Pair | |
NH(3)-dependent NAD(+) synthetase
(Bacillus subtilis) | BDBM50130829
(CHEMBL1164 | Dimocillin sodium | Meticillin sodium...)Show SMILES COc1cccc(OC)c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O Show InChI InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/p-1/t11-,12+,15-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Inhibitory activity against Bacillus subtilis NAD synthetase |
J Med Chem 46: 3371-81 (2003)
Article DOI: 10.1021/jm030003x BindingDB Entry DOI: 10.7270/Q25T3M6Q |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50320789
(CHEMBL1164234 | methyl5-{5-[[(2,4-diamino-6-quinaz...)Show SMILES CCCN(Cc1ccc2nc(N)nc(N)c2c1)c1ccc(OC)c(OCCCCC(=O)OC)c1 Show InChI InChI=1S/C25H33N5O4/c1-4-12-30(16-17-8-10-20-19(14-17)24(26)29-25(27)28-20)18-9-11-21(32-2)22(15-18)34-13-6-5-7-23(31)33-3/h8-11,14-15H,4-7,12-13,16H2,1-3H3,(H4,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama
Curated by ChEMBL
| Assay Description Inhibition of human DHFR by spectrophotometric assay |
Bioorg Med Chem 18: 4056-66 (2010)
Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG |
More data for this Ligand-Target Pair | |
Biofilm regulatory protein A
(Streptococcus mutans serotype c (strain ATCC 70061...) | BDBM643909
(US11866416, Compound SN-I-238D | US11866416, Compo...)Show SMILES COC(=O)c1cccc(NC(=O)c2cc3cc(ccc3o2)[N+]([O-])=O)c1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Biofilm regulatory protein A
(Streptococcus mutans serotype c (strain ATCC 70061...) | BDBM643909
(US11866416, Compound SN-I-238D | US11866416, Compo...)Show SMILES COC(=O)c1cccc(NC(=O)c2cc3cc(ccc3o2)[N+]([O-])=O)c1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Biofilm regulatory protein A
(Streptococcus mutans serotype c (strain ATCC 70061...) | BDBM644003
(US11866416, Compound SN-II-50)Show SMILES NC(=O)c1cc(NC(=O)c2cc3cc(ccc3s2)[N+]([O-])=O)cc(c1)C(N)=O | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50461651
(CHEMBL4226210)Show InChI InChI=1S/C24H32F2N2/c25-22-11-7-20(8-12-22)24(21-9-13-23(26)14-10-21)6-4-15-27-16-5-19-28-17-2-1-3-18-28/h7-14,24,27H,1-6,15-19H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Inhibition of neonatal Nav1.5 in human MDA-MB-231 cells assessed as reduction in inward sodium peak current at -100 mV holding potential after 5 to 1... |
Bioorg Med Chem 26: 2428-2436 (2018)
Article DOI: 10.1016/j.bmc.2018.04.003 BindingDB Entry DOI: 10.7270/Q2MP55X5 |
More data for this Ligand-Target Pair | |
Biofilm regulatory protein A
(Streptococcus mutans serotype c (strain ATCC 70061...) | BDBM644015
(US11866416, Compound SN-II-105) | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50461652
(CHEMBL4229014)Show InChI InChI=1S/C18H29FN2/c19-18-10-8-17(9-11-18)7-2-3-12-20-13-6-16-21-14-4-1-5-15-21/h8-11,20H,1-7,12-16H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Inhibition of neonatal Nav1.5 in human MDA-MB-231 cells assessed as reduction in inward sodium peak current at -100 mV holding potential after 5 to 1... |
Bioorg Med Chem 26: 2428-2436 (2018)
Article DOI: 10.1016/j.bmc.2018.04.003 BindingDB Entry DOI: 10.7270/Q2MP55X5 |
More data for this Ligand-Target Pair | |
Biofilm regulatory protein A
(Streptococcus mutans serotype c (strain ATCC 70061...) | BDBM644024
(US11866416, Compound LC-I-205) | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Biofilm regulatory protein A
(Streptococcus mutans serotype c (strain ATCC 70061...) | BDBM644024
(US11866416, Compound LC-I-205) | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Biofilm regulatory protein A
(Streptococcus mutans serotype c (strain ATCC 70061...) | BDBM50036936
(3'',4''-Dimethoxy-Aurone | 3',4'-DIMETHOXY-AURONE ...)Show InChI InChI=1S/C17H14O4/c1-19-14-8-7-11(9-15(14)20-2)10-16-17(18)12-5-3-4-6-13(12)21-16/h3-10H,1-2H3/b16-10- | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| | n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Biofilm regulatory protein A
(Streptococcus mutans serotype c (strain ATCC 70061...) | BDBM50036936
(3'',4''-Dimethoxy-Aurone | 3',4'-DIMETHOXY-AURONE ...)Show InChI InChI=1S/C17H14O4/c1-19-14-8-7-11(9-15(14)20-2)10-16-17(18)12-5-3-4-6-13(12)21-16/h3-10H,1-2H3/b16-10- | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| | n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Biofilm regulatory protein A
(Streptococcus mutans serotype c (strain ATCC 70061...) | BDBM643896
(US11866416, Compound SN-I-225C | US11866416, Compo...) | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 8.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Biofilm regulatory protein A
(Streptococcus mutans serotype c (strain ATCC 70061...) | BDBM643896
(US11866416, Compound SN-I-225C | US11866416, Compo...) | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 8.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
NH(3)-dependent NAD(+) synthetase
(Bacillus subtilis) | BDBM92599
(CHEMBL263057 | NAD Synthetase Inhibitor, 4)Show SMILES COC(=O)c1cc2cc(OCc3ccccc3)ccc2n1CCCCCCCOC(=O)Cc1ccc(cc1)[N+](C)(C)C Show InChI InChI=1S/C35H43N2O5/c1-37(2,3)30-17-15-27(16-18-30)23-34(38)41-22-12-7-5-6-11-21-36-32-20-19-31(42-26-28-13-9-8-10-14-28)24-29(32)25-33(36)35(39)40-4/h8-10,13-20,24-25H,5-7,11-12,21-23,26H2,1-4H3/q+1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Inhibitory activity against Bacillus subtilis NAD synthetase |
J Med Chem 46: 3371-81 (2003)
Article DOI: 10.1021/jm030003x BindingDB Entry DOI: 10.7270/Q25T3M6Q |
More data for this Ligand-Target Pair | |
Biofilm regulatory protein A
(Streptococcus mutans serotype c (strain ATCC 70061...) | BDBM644013
(US11866416, Compound SN-II-81Cl | US11866416, Comp...) | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Biofilm regulatory protein A
(Streptococcus mutans serotype c (strain ATCC 70061...) | BDBM643893
(US11866416, Compound SN-I-217)Show SMILES COC(=O)c1ccc(NC(=O)c2cc3cc(ccc3s2)[N+]([O-])=O)cc1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Biofilm regulatory protein A
(Streptococcus mutans serotype c (strain ATCC 70061...) | BDBM643893
(US11866416, Compound SN-I-217)Show SMILES COC(=O)c1ccc(NC(=O)c2cc3cc(ccc3s2)[N+]([O-])=O)cc1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Biofilm regulatory protein A
(Streptococcus mutans serotype c (strain ATCC 70061...) | BDBM643893
(US11866416, Compound SN-I-217)Show SMILES COC(=O)c1ccc(NC(=O)c2cc3cc(ccc3s2)[N+]([O-])=O)cc1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |