Found 6 hits for monomerid = 50429697 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 |
Dihydrofolate Reductase (DHFR)
(Staphylococcus aureus) | BDBM50429697
 (CHEMBL2335419)Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)cc(c1)-c1ccncc1 Show InChI InChI=1S/C22H23N5O/c1-4-20-19(21(23)27-22(24)26-20)6-5-14(2)16-11-17(13-18(12-16)28-3)15-7-9-25-10-8-15/h7-14H,4H2,1-3H3,(H4,23,24,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB US Patent
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
US Patent
| Assay Description Heterocyclic analogs of propargyl-linked inhibitors of the third
generation analogs were evaluated in enzyme inhibition assays, assessed
for S. aur... |
US Patent US8853228 (2014)
BindingDB Entry DOI: 10.7270/Q2TD9W1T |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dihydrofolate reductase (DHFR)
(Streptococcus pyogenes) | BDBM50429697
 (CHEMBL2335419)Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)cc(c1)-c1ccncc1 Show InChI InChI=1S/C22H23N5O/c1-4-20-19(21(23)27-22(24)26-20)6-5-14(2)16-11-17(13-18(12-16)28-3)15-7-9-25-10-8-15/h7-14H,4H2,1-3H3,(H4,23,24,26,27) | UniProtKB/TrEMBL
GoogleScholar
| CHEMBL PC cid PC sid PDB UniChem
Similars
| US Patent
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
US Patent
| Assay Description Heterocyclic analogs of propargyl-linked inhibitors of the third
generation analogs were evaluated in enzyme inhibition assays, assessed
for S. aur... |
US Patent US8853228 (2014)
BindingDB Entry DOI: 10.7270/Q2TD9W1T |
More data for this Ligand-Target Pair | |
Dihydrofolate Reductase (DHFR)
(Candida albicans) | BDBM50429697
 (CHEMBL2335419)Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)cc(c1)-c1ccncc1 Show InChI InChI=1S/C22H23N5O/c1-4-20-19(21(23)27-22(24)26-20)6-5-14(2)16-11-17(13-18(12-16)28-3)15-7-9-25-10-8-15/h7-14H,4H2,1-3H3,(H4,23,24,26,27) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of Candida albicans DHFR |
Bioorg Med Chem Lett 23: 1279-84 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.008 BindingDB Entry DOI: 10.7270/Q2RV0Q2N |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dihydrofolate Reductase (DHFR)
(Staphylococcus aureus) | BDBM50429697
 (CHEMBL2335419)Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)cc(c1)-c1ccncc1 Show InChI InChI=1S/C22H23N5O/c1-4-20-19(21(23)27-22(24)26-20)6-5-14(2)16-11-17(13-18(12-16)28-3)15-7-9-25-10-8-15/h7-14H,4H2,1-3H3,(H4,23,24,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus DHFR assessed as reduction in rate of NADPH consumption |
Drug Metab Dispos 40: 2002-8 (2012)
Article DOI: 10.1124/dmd.112.046870 BindingDB Entry DOI: 10.7270/Q22R3TCT |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50429697
 (CHEMBL2335419)Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)cc(c1)-c1ccncc1 Show InChI InChI=1S/C22H23N5O/c1-4-20-19(21(23)27-22(24)26-20)6-5-14(2)16-11-17(13-18(12-16)28-3)15-7-9-25-10-8-15/h7-14H,4H2,1-3H3,(H4,23,24,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of human DHFR |
Bioorg Med Chem Lett 23: 1279-84 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.008 BindingDB Entry DOI: 10.7270/Q2RV0Q2N |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50429697
 (CHEMBL2335419)Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)cc(c1)-c1ccncc1 Show InChI InChI=1S/C22H23N5O/c1-4-20-19(21(23)27-22(24)26-20)6-5-14(2)16-11-17(13-18(12-16)28-3)15-7-9-25-10-8-15/h7-14H,4H2,1-3H3,(H4,23,24,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB US Patent
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
US Patent
| Assay Description Heterocyclic analogs of propargyl-linked inhibitors of the third
generation analogs were evaluated in enzyme inhibition assays, assessed
for S. aur... |
US Patent US8853228 (2014)
BindingDB Entry DOI: 10.7270/Q2TD9W1T |
More data for this Ligand-Target Pair |  3D Structure (crystal) |