Found 19 hits with Last Name = 'howell' and Initial = 'ee' 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 purine biosynthesis protein ATIC
(Homo sapiens (Human)) | BDBM50103596
((E)-2-hydroxy-5-((4-(N-pyridin-2-ylsulfamoyl)-phen...)Show SMILES OC(=O)c1cc(ccc1O)\N=N\c1ccc(cc1)S(=O)(=O)Nc1ccccn1 Show InChI InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee
Curated by ChEMBL
| Assay Description Inhibition of AICAR transformylase (unknown origin) |
J Med Chem 63: 8314-8324 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00546 BindingDB Entry DOI: 10.7270/Q2T72N1J |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
| Article PubMed
| 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee
Curated by ChEMBL
| Assay Description Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysis |
J Med Chem 63: 8314-8324 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00546 BindingDB Entry DOI: 10.7270/Q2T72N1J |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50219500
(2-Hydroxy-5-phenylbenzoic acid | 4-Hydroxy-bipheny...)Show InChI InChI=1S/C13H10O3/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h1-8,14H,(H,15,16) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| 4.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee
Curated by ChEMBL
| Assay Description Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysis |
J Med Chem 63: 8314-8324 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00546 BindingDB Entry DOI: 10.7270/Q2T72N1J |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50134036
(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)Show InChI InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| 7.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee
Curated by ChEMBL
| Assay Description Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysis |
J Med Chem 63: 8314-8324 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00546 BindingDB Entry DOI: 10.7270/Q2T72N1J |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50237608
(CHEBI:8064 | Phenformin)Show InChI InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 1.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee
Curated by ChEMBL
| Assay Description Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysis |
J Med Chem 63: 8314-8324 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00546 BindingDB Entry DOI: 10.7270/Q2T72N1J |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM13066
(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| 1.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee
Curated by ChEMBL
| Assay Description Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysis |
J Med Chem 63: 8314-8324 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00546 BindingDB Entry DOI: 10.7270/Q2T72N1J |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50542901
(Diaminopyrimidine)Show InChI InChI=1S/C4H6N4/c5-3-1-2-7-4(6)8-3/h1-2H,(H4,5,6,7,8) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| 1.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee
Curated by ChEMBL
| Assay Description Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysis |
J Med Chem 63: 8314-8324 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00546 BindingDB Entry DOI: 10.7270/Q2T72N1J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50542900
(CHEBI:61114 | CHEMBL3278332)Show SMILES Nc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C12H14N2O5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)(H,18,19)/t9-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| 1.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee
Curated by ChEMBL
| Assay Description Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysis |
J Med Chem 63: 8314-8324 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00546 BindingDB Entry DOI: 10.7270/Q2T72N1J |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50240374
(3-(4-biphenylylcarbonyl)propionic acid | 3-(4-phen...)Show InChI InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee
Curated by ChEMBL
| Assay Description Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysis |
J Med Chem 63: 8314-8324 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00546 BindingDB Entry DOI: 10.7270/Q2T72N1J |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50009859
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 5.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee
Curated by ChEMBL
| Assay Description Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysis |
J Med Chem 63: 8314-8324 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00546 BindingDB Entry DOI: 10.7270/Q2T72N1J |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50241727
((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)Show InChI InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 8.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee
Curated by ChEMBL
| Assay Description Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysis |
J Med Chem 63: 8314-8324 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00546 BindingDB Entry DOI: 10.7270/Q2T72N1J |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50043799
((2R)-2-amino-3-(1H-indol-3-yl)propanoic acid | (R)...)Show InChI InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 8.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee
Curated by ChEMBL
| Assay Description Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysis |
J Med Chem 63: 8314-8324 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00546 BindingDB Entry DOI: 10.7270/Q2T72N1J |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50016799
((1,8-Diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol...)Show InChI InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.80E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee
Curated by ChEMBL
| Assay Description Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysis |
J Med Chem 63: 8314-8324 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00546 BindingDB Entry DOI: 10.7270/Q2T72N1J |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM21974
((2S)-2-amino-3-(1H-indol-3-yl)propanoic acid | CHE...)Show InChI InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2.80E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee
Curated by ChEMBL
| Assay Description Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysis |
J Med Chem 63: 8314-8324 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00546 BindingDB Entry DOI: 10.7270/Q2T72N1J |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50533571
(CHEMBL1618254 | US11459295, Compound R-Naproxen (1...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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MCE KEGG PC cid PC sid PDB UniChem
| PDB Article PubMed
| 3.40E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee
Curated by ChEMBL
| Assay Description Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysis |
J Med Chem 63: 8314-8324 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00546 BindingDB Entry DOI: 10.7270/Q2T72N1J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 7.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee
Curated by ChEMBL
| Assay Description Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysis |
J Med Chem 63: 8314-8324 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00546 BindingDB Entry DOI: 10.7270/Q2T72N1J |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50009999
(CHEMBL461 | N-benzoylglycine)Show InChI InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.70E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee
Curated by ChEMBL
| Assay Description Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysis |
J Med Chem 63: 8314-8324 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00546 BindingDB Entry DOI: 10.7270/Q2T72N1J |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50229665
(1,1-Dimethylbiguanide | CHEMBL1431 | METFORMIN | N...)Show SMILES [#6]-[#7](-[#6])-[#6](=[#7])\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 1.80E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee
Curated by ChEMBL
| Assay Description Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysis |
J Med Chem 63: 8314-8324 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00546 BindingDB Entry DOI: 10.7270/Q2T72N1J |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM21974
((2S)-2-amino-3-(1H-indol-3-yl)propanoic acid | CHE...)Show InChI InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee
Curated by ChEMBL
| Assay Description Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysis |
J Med Chem 63: 8314-8324 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00546 BindingDB Entry DOI: 10.7270/Q2T72N1J |
More data for this Ligand-Target Pair | |