Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50032458 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 |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM26519
(5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylp...)Show InChI InChI=1S/C17H20N4O2/c1-4-14-13(16(18)21-17(19)20-14)7-5-6-11-10-12(22-2)8-9-15(11)23-3/h8-10H,4,6H2,1-3H3,(H4,18,19,20,21) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM26521
(6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-y...)Show InChI InChI=1S/C18H22N4O3/c1-5-13-12(17(19)22-18(20)21-13)8-6-7-11-9-14(23-2)16(25-4)15(10-11)24-3/h9-10H,5,7H2,1-4H3,(H4,19,20,21,22) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM50329612
(6-ethyl-5-(3-(5-methoxybiphenyl-3-yl)prop-1-ynyl)p...)Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)cc(c1)-c1ccccc1 Show InChI InChI=1S/C22H22N4O/c1-3-20-19(21(23)26-22(24)25-20)11-7-8-15-12-17(14-18(13-15)27-2)16-9-5-4-6-10-16/h4-6,9-10,12-14H,3,8H2,1-2H3,(H4,23,24,25,26) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM26518
(5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-methyl...)Show InChI InChI=1S/C16H18N4O2/c1-10-13(15(17)20-16(18)19-10)6-4-5-11-9-12(21-2)7-8-14(11)22-3/h7-9H,5H2,1-3H3,(H4,17,18,19,20) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM50329609
(5-(3-(biphenyl-3-yl)prop-1-ynyl)-6-ethylpyrimidine...)Show InChI InChI=1S/C21H20N4/c1-2-19-18(20(22)25-21(23)24-19)13-7-9-15-8-6-12-17(14-15)16-10-4-3-5-11-16/h3-6,8,10-12,14H,2,9H2,1H3,(H4,22,23,24,25) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM50329610
(6-ethyl-5-(3-(4-methoxybiphenyl-3-yl)prop-1-ynyl)p...)Show InChI InChI=1S/C22H22N4O/c1-3-19-18(21(23)26-22(24)25-19)11-7-10-17-14-16(12-13-20(17)27-2)15-8-5-4-6-9-15/h4-6,8-9,12-14H,3,10H2,1-2H3,(H4,23,24,25,26) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM18490
(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)Show InChI InChI=1S/C17H20N4O3/c1-10-12(16(18)21-17(19)20-10)7-5-6-11-8-13(22-2)15(24-4)14(9-11)23-3/h8-9H,6H2,1-4H3,(H4,18,19,20,21) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM50329611
(6-ethyl-5-(3-(4-methoxybiphenyl-2-yl)prop-1-ynyl)p...)Show InChI InChI=1S/C22H22N4O/c1-3-20-19(21(23)26-22(24)25-20)11-7-10-16-14-17(27-2)12-13-18(16)15-8-5-4-6-9-15/h4-6,8-9,12-14H,3,10H2,1-2H3,(H4,23,24,25,26) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM25818
(5-[3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]-6-me...)Show SMILES COc1cc(cc(c1)-c1ccccc1)C(C)C#Cc1c(C)nc(N)nc1N Show InChI InChI=1S/C22H22N4O/c1-14(9-10-20-15(2)25-22(24)26-21(20)23)17-11-18(13-19(12-17)27-3)16-7-5-4-6-8-16/h4-8,11-14H,1-3H3,(H4,23,24,25,26) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM50298803
((+/-)-6-methyl-5-(3-(3,4,5-trimethoxyphenyl)pent-1...)Show SMILES CCC(C#Cc1c(C)nc(N)nc1N)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C19H24N4O3/c1-6-12(7-8-14-11(2)22-19(21)23-18(14)20)13-9-15(24-3)17(26-5)16(10-13)25-4/h9-10,12H,6H2,1-5H3,(H4,20,21,22,23) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 3.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM50329608
(6-methyl-5-(3-methyl-3-(3,4,5-trimethoxyphenyl)but...)Show SMILES COc1cc(cc(OC)c1OC)C(C)(C)C#Cc1c(C)nc(N)nc1N Show InChI InChI=1S/C19H24N4O3/c1-11-13(17(20)23-18(21)22-11)7-8-19(2,3)12-9-14(24-4)16(26-6)15(10-12)25-5/h9-10H,1-6H3,(H4,20,21,22,23) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 4.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM18494
(3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-tr...)Show InChI InChI=1S/C17H20N4O4/c1-9-11(16(18)21-17(19)20-9)5-6-12(22)10-7-13(23-2)15(25-4)14(8-10)24-3/h7-8,12,22H,1-4H3,(H4,18,19,20,21) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 4.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM50329613
(5-(3-(2,5-dimethoxybiphenyl-4-yl)but-1-ynyl)-6-met...)Show SMILES COc1cc(c(OC)cc1C(C)C#Cc1c(C)nc(N)nc1N)-c1ccccc1 Show InChI InChI=1S/C23H24N4O2/c1-14(10-11-17-15(2)26-23(25)27-22(17)24)18-12-21(29-4)19(13-20(18)28-3)16-8-6-5-7-9-16/h5-9,12-14H,1-4H3,(H4,24,25,26,27) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 5.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM25822
(5-[3-(3-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-me...)Show SMILES COc1cc(ccc1-c1ccccc1)C(C)C#Cc1c(C)nc(N)nc1N Show InChI InChI=1S/C22H22N4O/c1-14(9-11-18-15(2)25-22(24)26-21(18)23)17-10-12-19(20(13-17)27-3)16-7-5-4-6-8-16/h4-8,10,12-14H,1-3H3,(H4,23,24,25,26) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 5.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM18496
(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)Show SMILES COC(C#Cc1c(C)nc(N)nc1N)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C18H22N4O4/c1-10-12(17(19)22-18(20)21-10)6-7-13(23-2)11-8-14(24-3)16(26-5)15(9-11)25-4/h8-9,13H,1-5H3,(H4,19,20,21,22) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 9.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM18492
(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-y...)Show InChI InChI=1S/C18H22N4O3/c1-10(6-7-13-11(2)21-18(20)22-17(13)19)12-8-14(23-3)16(25-5)15(9-12)24-4/h8-10H,1-5H3,(H4,19,20,21,22) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM50329607
(5-(3-(3-methoxybiphenyl-4-yl)but-1-ynyl)-6-methylp...)Show SMILES COc1cc(ccc1C(C)C#Cc1c(C)nc(N)nc1N)-c1ccccc1 Show InChI InChI=1S/C22H22N4O/c1-14(9-11-19-15(2)25-22(24)26-21(19)23)18-12-10-17(13-20(18)27-3)16-7-5-4-6-8-16/h4-8,10,12-14H,1-3H3,(H4,23,24,25,26) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 1.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Bacillus anthracis) | 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/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 2.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM26519
(5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylp...)Show InChI InChI=1S/C17H20N4O2/c1-4-14-13(16(18)21-17(19)20-14)7-5-6-11-10-12(22-2)8-9-15(11)23-3/h8-10H,4,6H2,1-3H3,(H4,18,19,20,21) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM26521
(6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-y...)Show InChI InChI=1S/C18H22N4O3/c1-5-13-12(17(19)22-18(20)21-13)8-6-7-11-9-14(23-2)16(25-4)15(10-11)24-3/h9-10H,5,7H2,1-4H3,(H4,19,20,21,22) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 942 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM50329612
(6-ethyl-5-(3-(5-methoxybiphenyl-3-yl)prop-1-ynyl)p...)Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)cc(c1)-c1ccccc1 Show InChI InChI=1S/C22H22N4O/c1-3-20-19(21(23)26-22(24)25-20)11-7-8-15-12-17(14-18(13-15)27-2)16-9-5-4-6-10-16/h4-6,9-10,12-14H,3,8H2,1-2H3,(H4,23,24,25,26) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 973 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM26518
(5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-methyl...)Show InChI InChI=1S/C16H18N4O2/c1-10-13(15(17)20-16(18)19-10)6-4-5-11-9-12(21-2)7-8-14(11)22-3/h7-9H,5H2,1-3H3,(H4,17,18,19,20) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM50329609
(5-(3-(biphenyl-3-yl)prop-1-ynyl)-6-ethylpyrimidine...)Show InChI InChI=1S/C21H20N4/c1-2-19-18(20(22)25-21(23)24-19)13-7-9-15-8-6-12-17(14-15)16-10-4-3-5-11-16/h3-6,8,10-12,14H,2,9H2,1H3,(H4,22,23,24,25) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM50329610
(6-ethyl-5-(3-(4-methoxybiphenyl-3-yl)prop-1-ynyl)p...)Show InChI InChI=1S/C22H22N4O/c1-3-19-18(21(23)26-22(24)25-19)11-7-10-17-14-16(12-13-20(17)27-2)15-8-5-4-6-9-15/h4-6,8-9,12-14H,3,10H2,1-2H3,(H4,23,24,25,26) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM18490
(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)Show InChI InChI=1S/C17H20N4O3/c1-10-12(16(18)21-17(19)20-10)7-5-6-11-8-13(22-2)15(24-4)14(9-11)23-3/h8-9H,6H2,1-4H3,(H4,18,19,20,21) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM50329611
(6-ethyl-5-(3-(4-methoxybiphenyl-2-yl)prop-1-ynyl)p...)Show InChI InChI=1S/C22H22N4O/c1-3-20-19(21(23)26-22(24)25-20)11-7-10-16-14-17(27-2)12-13-18(16)15-8-5-4-6-9-15/h4-6,8-9,12-14H,3,10H2,1-2H3,(H4,23,24,25,26) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM25818
(5-[3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]-6-me...)Show SMILES COc1cc(cc(c1)-c1ccccc1)C(C)C#Cc1c(C)nc(N)nc1N Show InChI InChI=1S/C22H22N4O/c1-14(9-10-20-15(2)25-22(24)26-21(20)23)17-11-18(13-19(12-17)27-3)16-7-5-4-6-8-16/h4-8,11-14H,1-3H3,(H4,23,24,25,26) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM50298803
((+/-)-6-methyl-5-(3-(3,4,5-trimethoxyphenyl)pent-1...)Show SMILES CCC(C#Cc1c(C)nc(N)nc1N)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C19H24N4O3/c1-6-12(7-8-14-11(2)22-19(21)23-18(14)20)13-9-15(24-3)17(26-5)16(10-13)25-4/h9-10,12H,6H2,1-5H3,(H4,20,21,22,23) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM50329608
(6-methyl-5-(3-methyl-3-(3,4,5-trimethoxyphenyl)but...)Show SMILES COc1cc(cc(OC)c1OC)C(C)(C)C#Cc1c(C)nc(N)nc1N Show InChI InChI=1S/C19H24N4O3/c1-11-13(17(20)23-18(21)22-11)7-8-19(2,3)12-9-14(24-4)16(26-6)15(10-12)25-5/h9-10H,1-6H3,(H4,20,21,22,23) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM18494
(3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-tr...)Show InChI InChI=1S/C17H20N4O4/c1-9-11(16(18)21-17(19)20-9)5-6-12(22)10-7-13(23-2)15(25-4)14(8-10)24-3/h7-8,12,22H,1-4H3,(H4,18,19,20,21) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM50329613
(5-(3-(2,5-dimethoxybiphenyl-4-yl)but-1-ynyl)-6-met...)Show SMILES COc1cc(c(OC)cc1C(C)C#Cc1c(C)nc(N)nc1N)-c1ccccc1 Show InChI InChI=1S/C23H24N4O2/c1-14(10-11-17-15(2)26-23(25)27-22(17)24)18-12-21(29-4)19(13-20(18)28-3)16-8-6-5-7-9-16/h5-9,12-14H,1-4H3,(H4,24,25,26,27) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM25822
(5-[3-(3-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-me...)Show SMILES COc1cc(ccc1-c1ccccc1)C(C)C#Cc1c(C)nc(N)nc1N Show InChI InChI=1S/C22H22N4O/c1-14(9-11-18-15(2)25-22(24)26-21(18)23)17-10-12-19(20(13-17)27-3)16-7-5-4-6-8-16/h4-8,10,12-14H,1-3H3,(H4,23,24,25,26) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.73E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM18496
(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)Show SMILES COC(C#Cc1c(C)nc(N)nc1N)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C18H22N4O4/c1-10-12(17(19)22-18(20)21-10)6-7-13(23-2)11-8-14(24-3)16(26-5)15(9-11)25-4/h8-9,13H,1-5H3,(H4,19,20,21,22) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM18492
(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-y...)Show InChI InChI=1S/C18H22N4O3/c1-10(6-7-13-11(2)21-18(20)22-17(13)19)12-8-14(23-3)16(25-5)15(9-12)24-4/h8-10H,1-5H3,(H4,19,20,21,22) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Bacillus anthracis) | BDBM50329607
(5-(3-(3-methoxybiphenyl-4-yl)but-1-ynyl)-6-methylp...)Show SMILES COc1cc(ccc1C(C)C#Cc1c(C)nc(N)nc1N)-c1ccccc1 Show InChI InChI=1S/C22H22N4O/c1-14(9-11-19-15(2)25-22(24)26-21(19)23)18-12-10-17(13-20(18)27-3)16-7-5-4-6-8-16/h4-8,10,12-14H,1-3H3,(H4,23,24,25,26) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 3.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Bacillus anthracis) | 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/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 7.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR |
J Med Chem 53: 7327-36 (2010)
Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |