Found 9 hits of ki data for polymerid = 50004519 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/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) |
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 | |
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