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 (Plasmodium vivax (malaria parasite P. vivax)) | BDBM18783 (5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diami...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.520 | -12.7 | 70 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Center for Genetic Engineering and Biotechnology at Thailand | Assay Description Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... | Antimicrob Agents Chemother 50: 3631-7 (2006) Article DOI: 10.1128/AAC.00448-06 BindingDB Entry DOI: 10.7270/Q2N8781P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium vivax (malaria parasite P. vivax)) | BDBM18781 (5-(4-bromophenyl)-6-ethylpyrimidine-2,4-diamine | ...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.780 | -12.4 | 90 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Center for Genetic Engineering and Biotechnology at Thailand | Assay Description Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... | Antimicrob Agents Chemother 50: 3631-7 (2006) Article DOI: 10.1128/AAC.00448-06 BindingDB Entry DOI: 10.7270/Q2N8781P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium vivax (malaria parasite P. vivax)) | BDBM50612056 (CHEMBL5270166) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | UniChem | n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium vivax (malaria parasite P. vivax)) | BDBM18779 (6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine |...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.390 | -12.8 | 140 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Center for Genetic Engineering and Biotechnology at Thailand | Assay Description Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... | Antimicrob Agents Chemother 50: 3631-7 (2006) Article DOI: 10.1128/AAC.00448-06 BindingDB Entry DOI: 10.7270/Q2N8781P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium vivax (malaria parasite P. vivax)) | BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.210 | -13.2 | 180 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Center for Genetic Engineering and Biotechnology at Thailand | Assay Description Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... | Antimicrob Agents Chemother 50: 3631-7 (2006) Article DOI: 10.1128/AAC.00448-06 BindingDB Entry DOI: 10.7270/Q2N8781P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium vivax (malaria parasite P. vivax)) | BDBM18778 (CHEMBL22405 | P16 | methyl 4-[2,6-diamino-5-(4-chl...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.690 | -12.5 | 200 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Center for Genetic Engineering and Biotechnology at Thailand | Assay Description Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... | Antimicrob Agents Chemother 50: 3631-7 (2006) Article DOI: 10.1128/AAC.00448-06 BindingDB Entry DOI: 10.7270/Q2N8781P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium vivax (malaria parasite P. vivax)) | BDBM18776 (5-(4-chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 1.40 | -12.1 | 220 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Center for Genetic Engineering and Biotechnology at Thailand | Assay Description Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... | Antimicrob Agents Chemother 50: 3631-7 (2006) Article DOI: 10.1128/AAC.00448-06 BindingDB Entry DOI: 10.7270/Q2N8781P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium vivax (malaria parasite P. vivax)) | BDBM18790 (6-hexyl-5-phenylpyrimidine-2,4-diamine | CHEMBL416...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 230 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Center for Genetic Engineering and Biotechnology at Thailand | Assay Description Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... | Antimicrob Agents Chemother 50: 3631-7 (2006) Article DOI: 10.1128/AAC.00448-06 BindingDB Entry DOI: 10.7270/Q2N8781P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium vivax (malaria parasite P. vivax)) | BDBM18780 (6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine ...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.01 | -12.3 | 350 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Center for Genetic Engineering and Biotechnology at Thailand | Assay Description Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... | Antimicrob Agents Chemother 50: 3631-7 (2006) Article DOI: 10.1128/AAC.00448-06 BindingDB Entry DOI: 10.7270/Q2N8781P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium vivax (malaria parasite P. vivax)) | BDBM18784 (5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.310 | -13.0 | 360 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Center for Genetic Engineering and Biotechnology at Thailand | Assay Description Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... | Antimicrob Agents Chemother 50: 3631-7 (2006) Article DOI: 10.1128/AAC.00448-06 BindingDB Entry DOI: 10.7270/Q2N8781P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium vivax (malaria parasite P. vivax)) | BDBM18791 (5-phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine ...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.530 | -12.6 | 800 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Center for Genetic Engineering and Biotechnology at Thailand | Assay Description Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... | Antimicrob Agents Chemother 50: 3631-7 (2006) Article DOI: 10.1128/AAC.00448-06 BindingDB Entry DOI: 10.7270/Q2N8781P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium vivax (malaria parasite P. vivax)) | BDBM18774 (5-(4-chlorophenyl)pyrimidine-2,4-diamine | CHEMBL2...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 3.42 | -11.5 | 1.52E+3 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Center for Genetic Engineering and Biotechnology at Thailand | Assay Description Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... | Antimicrob Agents Chemother 50: 3631-7 (2006) Article DOI: 10.1128/AAC.00448-06 BindingDB Entry DOI: 10.7270/Q2N8781P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium vivax (malaria parasite P. vivax)) | BDBM18782 (5-(4-tert-butylphenyl)-6-ethylpyrimidine-2,4-diami...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.14 | -12.2 | 1.76E+3 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Center for Genetic Engineering and Biotechnology at Thailand | Assay Description Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... | Antimicrob Agents Chemother 50: 3631-7 (2006) Article DOI: 10.1128/AAC.00448-06 BindingDB Entry DOI: 10.7270/Q2N8781P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium vivax (malaria parasite P. vivax)) | BDBM18788 (6-ethyl-5-phenylpyrimidine-2,4-diamine | CHEMBL221...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.0300 | -14.3 | 1.82E+3 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Center for Genetic Engineering and Biotechnology at Thailand | Assay Description Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... | Antimicrob Agents Chemother 50: 3631-7 (2006) Article DOI: 10.1128/AAC.00448-06 BindingDB Entry DOI: 10.7270/Q2N8781P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium vivax (malaria parasite P. vivax)) | BDBM18775 (5-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine ...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.780 | -12.4 | 1.95E+3 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Center for Genetic Engineering and Biotechnology at Thailand | Assay Description Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... | Antimicrob Agents Chemother 50: 3631-7 (2006) Article DOI: 10.1128/AAC.00448-06 BindingDB Entry DOI: 10.7270/Q2N8781P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium vivax (malaria parasite P. vivax)) | BDBM18785 (5-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine ...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.690 | -12.5 | 2.12E+3 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Center for Genetic Engineering and Biotechnology at Thailand | Assay Description Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... | Antimicrob Agents Chemother 50: 3631-7 (2006) Article DOI: 10.1128/AAC.00448-06 BindingDB Entry DOI: 10.7270/Q2N8781P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium vivax (malaria parasite P. vivax)) | BDBM18777 (5-(4-chlorophenyl)-6-nonylpyrimidine-2,4-diamine) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 4.29 | -11.4 | 2.20E+3 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Center for Genetic Engineering and Biotechnology at Thailand | Assay Description Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... | Antimicrob Agents Chemother 50: 3631-7 (2006) Article DOI: 10.1128/AAC.00448-06 BindingDB Entry DOI: 10.7270/Q2N8781P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium vivax (malaria parasite P. vivax)) | BDBM18787 (5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]py...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | 0.630 | -12.5 | 2.27E+3 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Center for Genetic Engineering and Biotechnology at Thailand | Assay Description Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... | Antimicrob Agents Chemother 50: 3631-7 (2006) Article DOI: 10.1128/AAC.00448-06 BindingDB Entry DOI: 10.7270/Q2N8781P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium vivax (malaria parasite P. vivax)) | BDBM18786 (5-(3-chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.770 | -12.4 | 2.38E+3 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Center for Genetic Engineering and Biotechnology at Thailand | Assay Description Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... | Antimicrob Agents Chemother 50: 3631-7 (2006) Article DOI: 10.1128/AAC.00448-06 BindingDB Entry DOI: 10.7270/Q2N8781P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium vivax (malaria parasite P. vivax)) | BDBM18789 (6-methyl-5-phenylpyrimidine-2,4-diamine | CHEMBL21...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 4.18 | -11.4 | 1.13E+4 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Center for Genetic Engineering and Biotechnology at Thailand | Assay Description Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... | Antimicrob Agents Chemother 50: 3631-7 (2006) Article DOI: 10.1128/AAC.00448-06 BindingDB Entry DOI: 10.7270/Q2N8781P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |