BDBM210930 UCP1173
SMILES: CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O
InChI Key: InChIKey=OKJCHFXBCVXSIZ-AWEZNQCLSA-N
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 |
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Dihydrofolate reductase (Escherichia coli) | BDBM210930 (UCP1173) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PubMed | 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut Curated by ChEMBL | Assay Description Inhibition of recombinant Escherichia coli DHFR expressed in Escherichia coli BL21(DE3) cells assessed as reduction in NADPH oxidation using dihydrof... | ACS Med Chem Lett 7: 692-6 (2016) BindingDB Entry DOI: 10.7270/Q2DJ5HKK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase (DHFR) (Staphylococcus aureus) | BDBM210930 (UCP1173) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut Curated by ChEMBL | Assay Description Inhibition of recombinant Staphylococcus aureus DHFR expressed in Escherichia coli BL21(DE3) cells assessed as reduction in NADPH oxidation using dih... | ACS Med Chem Lett 7: 692-6 (2016) BindingDB Entry DOI: 10.7270/Q2DJ5HKK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Staphylococcus aureus) | BDBM210930 (UCP1173) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut Curated by ChEMBL | Assay Description Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy... | J Med Chem 59: 6493-500 (2016) Article DOI: 10.1021/acs.jmedchem.6b00688 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM210930 (UCP1173) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB PubMed | 234 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut Curated by ChEMBL | Assay Description Inhibition of recombinant human DHFR assessed as reduction in NADPH oxidation using dihydrofolate as substrate preincubated for 5 mins followed by su... | ACS Med Chem Lett 7: 692-6 (2016) BindingDB Entry DOI: 10.7270/Q2DJ5HKK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dihydrofolate reductase (DfrA) (Staphylococcus aureus) | BDBM210930 (UCP1173) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut | Assay Description IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016). | Cell Chem Biol 23: 1458-1467 (2016) Article DOI: 10.1016/j.chembiol.2016.11.007 BindingDB Entry DOI: 10.7270/Q2NP2380 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (DfrG) (Staphylococcus aureus) | BDBM210930 (UCP1173) | UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut | Assay Description IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016). | Cell Chem Biol 23: 1458-1467 (2016) Article DOI: 10.1016/j.chembiol.2016.11.007 BindingDB Entry DOI: 10.7270/Q2NP2380 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase (DHFR) (Staphylococcus aureus) | BDBM210930 (UCP1173) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut | Assay Description IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016). | Cell Chem Biol 23: 1458-1467 (2016) Article DOI: 10.1016/j.chembiol.2016.11.007 BindingDB Entry DOI: 10.7270/Q2NP2380 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (DfrK) (Staphylococcus aureus) | BDBM210930 (UCP1173) | UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut | Assay Description IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016). | Cell Chem Biol 23: 1458-1467 (2016) Article DOI: 10.1016/j.chembiol.2016.11.007 BindingDB Entry DOI: 10.7270/Q2NP2380 | |||||||||||
More data for this Ligand-Target Pair |