null
SMILES: Nc1nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc3cc(ccc3C(O)=O)C(O)=O)c2c(=O)[nH]1
InChI Key: InChIKey=UKZJDHHDTGYQBX-UHFFFAOYSA-N
PDB links: 2 PDB IDs match this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus) | BDBM50528943![]() (CHEMBL4562561) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University Curated by ChEMBL | Assay Description Inhibition of recombinant human His6-tagged TS using dUMP and 5,10-methylenetetrahydrofolate as substrate by spectrometry | Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111673 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Cryptosporidium hominis) | BDBM50528943![]() (CHEMBL4562561) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University Curated by ChEMBL | Assay Description Inhibition of recombinant Cryptosporidium hominis TS-DHFR expresssed in Escherichia coli PA414 using dUMP and 5,10-methylenetetrahydrofolate as subst... | Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111673 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |