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 (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 | -60.1 | 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 [1-238,S58R,S117N] (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 | 0.0800 | n/a | 1.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | 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 | -55.2 | 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)) | 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 | -54.3 | 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) | ||||||||||||
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human)) | BDBM50594974![]() (CHEMBL5186554) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | MCE PC cid PC sid UniChem | Article PubMed | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1016/j.ejmech.2022.114170 BindingDB Entry DOI: 10.7270/Q2RX9H3Q | ||||||||||||
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 | -53.7 | 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)) | 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 | -53.0 | 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)) | 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 | -52.9 | 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 [1-238,S58R,S117N] (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 | 0.540 | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
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 | -52.5 | 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)) | 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 | -52.3 | 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)) | 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 | -52.3 | 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)) | 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 | -52.0 | 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)) | 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 | -52.0 | 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)) | 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 | -52.0 | 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 [1-238,S58R,S117N] (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 | 0.810 | n/a | 2.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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 falciparum (isolate K1 / Thailand)) | BDBM18512![]() (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Science and Technology Development Agency Curated by ChEMBL | Assay Description Inhibition of pyrimethamine-resistant form-2 Plasmodium falciparum N51I, C59R, S108N, I164L, K96N mutant expressed in Escherichia coli BL21(DE3) by M... | Antimicrob Agents Chemother 51: 4356-60 (2007) Article DOI: 10.1128/aac.00577-07 BindingDB Entry DOI: 10.7270/Q2JS9T70 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase [1-238,S58R,S117N] (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 | 0.900 | n/a | 3.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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 | -51.3 | 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 [1-238,S58R,S117N] (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 | 1.05 | n/a | 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | 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 | -51.0 | 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 [1-238,S58R,S117N] (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 | 1.19 | n/a | 1.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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) | ||||||||||||
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human)) | BDBM8891![]() (3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine |...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.30 | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University | Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro... | Pharmacol Rev 49: 2222-31 (2006) Article DOI: 10.1021/jm060055x BindingDB Entry DOI: 10.7270/Q2MW2FBS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase [1-238,S58R,S117N] (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 | 1.32 | n/a | 1.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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 | -50.5 | 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) | ||||||||||||
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human)) | BDBM50422425![]() (CHEMBL4175585) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg Curated by ChEMBL | Assay Description Binding affinity to recombinant 17beta-HSD14 (unknown origin) expressed in Escherichia coli BL21 pLysS strain using E2 as substrate in presence of NA... | Eur J Med Chem 155: 61-76 (2018) Article DOI: 10.1016/j.ejmech.2018.05.029 BindingDB Entry DOI: 10.7270/Q23F4S76 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase [1-238,S58R,S117N] (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 | 1.53 | n/a | 1.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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 [1-238,S58R,S117N] (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 | 2.21 | n/a | 1.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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) | ||||||||||||
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human)) | BDBM8890![]() (3-(5-Methoxy-1H-inden-2-yl)pyridine | indene 3) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | 2.60 | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University | Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro... | Pharmacol Rev 49: 2222-31 (2006) Article DOI: 10.1021/jm060055x BindingDB Entry DOI: 10.7270/Q2MW2FBS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase [1-238,S58R,S117N] (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 | 3.04 | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | 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 | -48.3 | 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)) | 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 | -47.8 | 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) | ||||||||||||
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 | -47.8 | 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) | ||||||||||||
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human)) | BDBM8889![]() (3-(3,4-Dihydronaphthalen-2-yl)pyridine | Dihydrona...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Patents Similars | Article PubMed | 4.60 | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University | Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro... | Pharmacol Rev 49: 2222-31 (2006) Article DOI: 10.1021/jm060055x BindingDB Entry DOI: 10.7270/Q2MW2FBS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human)) | BDBM50422422![]() (CHEMBL4164239) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg Curated by ChEMBL | Assay Description Binding affinity to recombinant 17beta-HSD14 (unknown origin) expressed in Escherichia coli BL21 pLysS strain using E2 as substrate in presence of NA... | Eur J Med Chem 155: 61-76 (2018) Article DOI: 10.1016/j.ejmech.2018.05.029 BindingDB Entry DOI: 10.7270/Q23F4S76 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human)) | BDBM50422417![]() (CHEMBL4165659) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg Curated by ChEMBL | Assay Description Binding affinity to recombinant 17beta-HSD14 (unknown origin) expressed in Escherichia coli BL21 pLysS strain using E2 as substrate in presence of NA... | Eur J Med Chem 155: 61-76 (2018) Article DOI: 10.1016/j.ejmech.2018.05.029 BindingDB Entry DOI: 10.7270/Q23F4S76 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human)) | BDBM50422397![]() (CHEMBL4176263) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg Curated by ChEMBL | Assay Description Binding affinity to recombinant 17beta-HSD14 (unknown origin) expressed in Escherichia coli BL21 pLysS strain using E2 as substrate in presence of NA... | Eur J Med Chem 155: 61-76 (2018) Article DOI: 10.1016/j.ejmech.2018.05.029 BindingDB Entry DOI: 10.7270/Q23F4S76 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase [1-238,S58R,S117N] (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 | 6.59 | n/a | 3.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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) | ||||||||||||
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human)) | BDBM50197835![]() (CHEMBL3965905) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg Curated by ChEMBL | Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ... | J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human)) | BDBM50197827![]() (CHEMBL3894507) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg Curated by ChEMBL | Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ... | J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human)) | BDBM50189884![]() (CHEMBL3827618) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg Curated by ChEMBL | Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ... | J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human)) | BDBM50189884![]() (CHEMBL3827618) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg Curated by ChEMBL | Assay Description Inhibition of human 17-beta-HSD14 using estradiol as substrate after 15 mins by fluorimetric assay | J Med Chem 59: 6961-7 (2016) Article DOI: 10.1021/acs.jmedchem.6b00293 BindingDB Entry DOI: 10.7270/Q2R213B7 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat)) | BDBM50004108![]() ((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharmaceuticals Curated by PDSP Ki Database | Bioorg Med Chem Lett 18: 188-93 (2008) Article DOI: 10.1016/j.bmcl.2007.10.101 BindingDB Entry DOI: 10.7270/Q2C827W3 | ||||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase [1-238,S58R,S117N] (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 | 7.43 | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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 | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM18793![]() (6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kenya Medical Research Institute/Wellcome Trust Collaborative Research Program Curated by ChEMBL | Assay Description Binding affinity to human recombinant DHFR expressed in Escherichia coli BL21(DE3) by competitive binding assay | Antimicrob Agents Chemother 54: 2603-10 (2010) Article DOI: 10.1128/AAC.01526-09 BindingDB Entry DOI: 10.7270/Q2VX0GQW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human)) | BDBM8888![]() (3-(1H-Inden-2-yl)pyridine | US9271963, 32 | indene...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | 8.40 | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University | Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro... | Pharmacol Rev 49: 2222-31 (2006) Article DOI: 10.1021/jm060055x BindingDB Entry DOI: 10.7270/Q2MW2FBS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human)) | BDBM50197843![]() (CHEMBL3941236) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg Curated by ChEMBL | Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ... | J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human)) | BDBM50197841![]() (CHEMBL3932068) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg Curated by ChEMBL | Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ... | J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human)) | BDBM50422419![]() (CHEMBL4168004) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg Curated by ChEMBL | Assay Description Binding affinity to recombinant 17beta-HSD14 (unknown origin) expressed in Escherichia coli BL21 pLysS strain using E2 as substrate in presence of NA... | Eur J Med Chem 155: 61-76 (2018) Article DOI: 10.1016/j.ejmech.2018.05.029 BindingDB Entry DOI: 10.7270/Q23F4S76 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human)) | BDBM50422398![]() (CHEMBL4172463) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg Curated by ChEMBL | Assay Description Binding affinity to recombinant 17beta-HSD14 (unknown origin) expressed in Escherichia coli BL21 pLysS strain using E2 as substrate in presence of NA... | Eur J Med Chem 155: 61-76 (2018) Article DOI: 10.1016/j.ejmech.2018.05.029 BindingDB Entry DOI: 10.7270/Q23F4S76 | |||||||||||
More data for this Ligand-Target Pair |
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