Found 66 hits of ic50 for UniProtKB: P07382 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
(Leishmania major) | BDBM66082
((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| US Patent
| n/a | n/a | 2.29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BR8X0H |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM585344
(5-(4-(quinolin-3-yl)piperazin- 1-yl)pyrimidine-2,4...) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.72 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BR8X0H |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50531796
(CHEMBL4544467 | US11530198, Example 12)Show InChI InChI=1S/C20H22N6/c21-19-18(14-23-20(22)24-19)26-12-10-25(11-13-26)17-9-5-4-8-16(17)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H4,21,22,23,24) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 7.41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BR8X0H |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50531791
(CHEMBL4456834 | US11530198, Example 6)Show InChI InChI=1S/C14H17ClN6/c15-10-1-3-11(4-2-10)20-5-7-21(8-6-20)12-9-18-14(17)19-13(12)16/h1-4,9H,5-8H2,(H4,16,17,18,19) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 7.59 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BR8X0H |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM585318
(5-(4-(3-(tetrahydro-2H-pyran-4- yl)phenyl)piperazi...) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 7.94 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BR8X0H |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50562454
(CHEMBL533684 | TCMDC-141974) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Leishmania major DHFR |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112986
BindingDB Entry DOI: 10.7270/Q2SF30W1 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM585324
(5-(4-(3-(2-(azetidin-1- yl)pyrimidin-5- yl)phenyl)...)Show SMILES Nc1ncc(N2CCN(CC2)c2cccc(c2)-c2cnc(nc2)N2CCC2)c(N)n1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 28.8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BR8X0H |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50600679
(CHEMBL426 | Methotrexate | TCMDC-123832 | TCMDC-12...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00232
BindingDB Entry DOI: 10.7270/Q2CJ8JJC |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50531780
(CHEMBL4464707 | US11530198, Example 73)Show SMILES Nc1ncc(N2CCN(CC2)c2cccc(c2)-c2ccnnc2)c(N)n1 Show InChI InChI=1S/C18H20N8/c19-17-16(12-21-18(20)24-17)26-8-6-25(7-9-26)15-3-1-2-13(10-15)14-4-5-22-23-11-14/h1-5,10-12H,6-9H2,(H4,19,20,21,24) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 36.3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BR8X0H |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM585346
(5-(4-(3-(2-fluoropyridin-4- yl)phenyl)piperazin-1-...)Show SMILES Nc1ncc(N2CCN(CC2)c2cccc(c2)-c2ccnc(F)c2)c(N)n1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 42.7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BR8X0H |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM585345
(5-(4-(3-(pyridazin-3- yl)phenyl)piperazin-1- yl)py...)Show SMILES Nc1ncc(N2CCN(CC2)c2cccc(c2)-c2cccnn2)c(N)n1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 52.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BR8X0H |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50562449
(CHEMBL4745475)Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC(=O)CNC(CCC(O)=O)C(O)=O | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112986
BindingDB Entry DOI: 10.7270/Q2SF30W1 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50562446
(CHEMBL4752301)Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC(=O)CNC(CC(C)C)C(O)=O | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112986
BindingDB Entry DOI: 10.7270/Q2SF30W1 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50600690
(CHEMBL5206994)Show SMILES CCOC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00232
BindingDB Entry DOI: 10.7270/Q2CJ8JJC |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50562448
(CHEMBL4779765)Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC(=O)CNC(Cc1ccccc1)C(O)=O | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112986
BindingDB Entry DOI: 10.7270/Q2SF30W1 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50600691
(CHEMBL5205559)Show SMILES CCCOC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00232
BindingDB Entry DOI: 10.7270/Q2CJ8JJC |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50600702
(CHEMBL5199171)Show SMILES CCOC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(CC)Cc1cnc2nc(N)nc(N)c2n1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00232
BindingDB Entry DOI: 10.7270/Q2CJ8JJC |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50562447
(CHEMBL4761589)Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC(=O)CNC(Cc1cc2ccccc2[nH]1)C(O)=O | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112986
BindingDB Entry DOI: 10.7270/Q2SF30W1 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50562442
(CHEMBL4748158)Show SMILES CC1=C(C(NC(=O)N1)c1ccc(Cl)cc1)C(=O)Nc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |t:1| | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112986
BindingDB Entry DOI: 10.7270/Q2SF30W1 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50562445
(CHEMBL4748139)Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCNc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112986
BindingDB Entry DOI: 10.7270/Q2SF30W1 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50600703
(CHEMBL5201183)Show SMILES CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)c1ccccc1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00232
BindingDB Entry DOI: 10.7270/Q2CJ8JJC |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50562441
(CHEMBL4791810)Show SMILES CC1=C(C(NC(=O)N1)c1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |t:1| | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112986
BindingDB Entry DOI: 10.7270/Q2SF30W1 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50398394
(CHEMBL1232702)Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C22H26N8O3/c1-29(12-15-11-25-19-17(26-15)18(23)27-22(24)28-19)16-5-3-13(4-6-16)20(31)30-9-7-14(8-10-30)21(32)33-2/h3-6,11,14H,7-10,12H2,1-2H3,(H4,23,24,25,27,28) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00232
BindingDB Entry DOI: 10.7270/Q2CJ8JJC |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50562455
(CHEMBL2005041)Show SMILES Nc1nc(N)c(CCCCc2ccccc2)c(\C=C\c2ccc(cc2)[N+]([O-])=O)n1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Leishmania major DHFR |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112986
BindingDB Entry DOI: 10.7270/Q2SF30W1 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50562438
(CHEMBL4743204)Show SMILES CC1=C(C(NC(=O)N1)c1ccccc1)C(=O)Nc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |t:1| | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112986
BindingDB Entry DOI: 10.7270/Q2SF30W1 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50600681
(CHEMBL5180552)Show SMILES CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N1CCC(CC1)C(=O)OC | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00232
BindingDB Entry DOI: 10.7270/Q2CJ8JJC |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50531779
(CHEMBL4553229 | US11530198, Example 4)Show InChI InChI=1S/C14H18N6/c15-13-12(10-17-14(16)18-13)20-8-6-19(7-9-20)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H4,15,16,17,18) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BR8X0H |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50562444
(CHEMBL4783671)Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCNc1ccc(cc1)C(=O)NC(Cc1ccccc1)C(O)=O | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112986
BindingDB Entry DOI: 10.7270/Q2SF30W1 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50398388
(CHEMBL2178604)Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N3CCC(CC3)C(O)=O)cnc2n1 Show InChI InChI=1S/C20H22N8O3/c21-16-15-17(27-20(22)26-16)24-10-14(25-15)9-23-13-3-1-11(2-4-13)18(29)28-7-5-12(6-8-28)19(30)31/h1-4,10,12,23H,5-9H2,(H,30,31)(H4,21,22,24,26,27) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00232
BindingDB Entry DOI: 10.7270/Q2CJ8JJC |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50398395
(CHEMBL1232399)Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1 Show InChI InChI=1S/C21H24N8O3/c1-32-20(31)13-6-8-29(9-7-13)19(30)12-2-4-14(5-3-12)24-10-15-11-25-18-16(26-15)17(22)27-21(23)28-18/h2-5,11,13,24H,6-10H2,1H3,(H4,22,23,25,27,28) | KEGG
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UniChem
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| Article
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| n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00232
BindingDB Entry DOI: 10.7270/Q2CJ8JJC |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50600682
(CHEMBL5193564)Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(CC#C)Cc1cnc2nc(N)nc(N)c2n1 | KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00232
BindingDB Entry DOI: 10.7270/Q2CJ8JJC |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50600694
(CHEMBL5204239)Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NCCc3ccccc3)cnc2n1 | KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00232
BindingDB Entry DOI: 10.7270/Q2CJ8JJC |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50600685
(CHEMBL5171609)Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(CCCO)Cc1cnc2nc(N)nc(N)c2n1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
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UniChem
| Article
PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00232
BindingDB Entry DOI: 10.7270/Q2CJ8JJC |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50562443
(CHEMBL4759800)Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCNc1ccc(cc1)C(=O)NC(C(C)C)C(O)=O | KEGG
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112986
BindingDB Entry DOI: 10.7270/Q2SF30W1 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50600686
(CHEMBL5183748)Show SMILES COC(=O)C1CCN(CC1)C(=O)Cc1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1 | KEGG
UniProtKB/SwissProt
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| PC cid
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| Article
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| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00232
BindingDB Entry DOI: 10.7270/Q2CJ8JJC |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50600701
(CHEMBL5200612)Show SMILES NC(=O)C1CCCN1C(=O)Cc1ccc(cc1)N(CCCO)Cc1cnc2nc(N)nc(N)c2n1 | KEGG
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00232
BindingDB Entry DOI: 10.7270/Q2CJ8JJC |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50600683
(CHEMBL5184936)Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(Cc1ccccc1)Cc1cnc2nc(N)nc(N)c2n1 | KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00232
BindingDB Entry DOI: 10.7270/Q2CJ8JJC |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50398393
(CHEMBL2178599)Show SMILES NC(=O)C1CCN(CC1)C(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1 Show InChI InChI=1S/C20H23N9O2/c21-16-15-18(28-20(23)27-16)25-10-14(26-15)9-24-13-3-1-12(2-4-13)19(31)29-7-5-11(6-8-29)17(22)30/h1-4,10-11,24H,5-9H2,(H2,22,30)(H4,21,23,25,27,28) | KEGG
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| Article
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| n/a | n/a | 1.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00232
BindingDB Entry DOI: 10.7270/Q2CJ8JJC |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50600700
(CHEMBL5188304)Show SMILES NC(=O)C1CCN(CC1)C(=O)Cc1ccc(cc1)N(CCCO)Cc1cnc2nc(N)nc(N)c2n1 | KEGG
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00232
BindingDB Entry DOI: 10.7270/Q2CJ8JJC |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50398391
(CHEMBL2178602)Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(CCO)Cc1cnc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C23H28N8O4/c1-35-22(34)15-6-8-30(9-7-15)21(33)14-2-4-17(5-3-14)31(10-11-32)13-16-12-26-20-18(27-16)19(24)28-23(25)29-20/h2-5,12,15,32H,6-11,13H2,1H3,(H4,24,25,26,28,29) | KEGG
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| n/a | n/a | 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00232
BindingDB Entry DOI: 10.7270/Q2CJ8JJC |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50600680
(CHEMBL5182291)Show SMILES CCOC(=O)C1CCCN1C(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00232
BindingDB Entry DOI: 10.7270/Q2CJ8JJC |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50398396
(CHEMBL2178600)Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cn1 Show InChI InChI=1S/C20H23N9O3/c1-32-19(31)11-4-6-29(7-5-11)18(30)14-3-2-12(8-24-14)23-9-13-10-25-17-15(26-13)16(21)27-20(22)28-17/h2-3,8,10-11,23H,4-7,9H2,1H3,(H4,21,22,25,27,28) | KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00232
BindingDB Entry DOI: 10.7270/Q2CJ8JJC |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50050426
(6-(Naphthalen-1-ylaminomethyl)-pteridine-2,4-diami...)Show InChI InChI=1S/C17H15N7/c18-15-14-16(24-17(19)23-15)21-9-11(22-14)8-20-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9,20H,8H2,(H4,18,19,21,23,24) | KEGG
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| n/a | n/a | 1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00232
BindingDB Entry DOI: 10.7270/Q2CJ8JJC |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50562440
(CHEMBL4754677)Show SMILES COc1ccc(cc1)C1NC(=O)NC(C)=C1C(=O)Nc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |c:15| | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112986
BindingDB Entry DOI: 10.7270/Q2SF30W1 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50562439
(CHEMBL4750040)Show SMILES CC1=C(C(NC(=O)N1)c1ccc(C)cc1)C(=O)Nc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |t:1| | KEGG
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| PC cid
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PubMed
| n/a | n/a | 1.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112986
BindingDB Entry DOI: 10.7270/Q2SF30W1 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50600692
(CHEMBL5197107)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N1CCCCC1 | KEGG
UniProtKB/SwissProt
GoogleScholar
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| PC cid
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| n/a | n/a | 2.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00232
BindingDB Entry DOI: 10.7270/Q2CJ8JJC |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50600693
(CHEMBL5175012)Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)c3ccccc3)cnc2n1 | KEGG
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00232
BindingDB Entry DOI: 10.7270/Q2CJ8JJC |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | KEGG
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| US Patent
| n/a | n/a | 5.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BR8X0H |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50600684
(CHEMBL5182125)Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(SCc2cnc3nc(N)nc(N)c3n2)nc1 | KEGG
UniProtKB/SwissProt
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| PC cid
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| n/a | n/a | 9.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00232
BindingDB Entry DOI: 10.7270/Q2CJ8JJC |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | 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) | KEGG
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| n/a | n/a | 2.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112986
BindingDB Entry DOI: 10.7270/Q2SF30W1 |
More data for this
Ligand-Target Pair | |
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