BDBM50043394 2-({4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-naphthalene-1-carbonyl}-amino)-pentanedioic acid::CHEMBL132431
SMILES: CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(O)=O)C(O)=O)c2ccccc12
InChI Key: InChIKey=XNZUKUJONMYGIN-UHFFFAOYSA-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 (Mus musculus (Mouse)) | BDBM50043394 (2-({4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-am...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.00522 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute Curated by ChEMBL | Assay Description Inhibitory activity of Dihydrofolate reductase in L1210 cells | J Med Chem 36: 4161-71 (1994) BindingDB Entry DOI: 10.7270/Q2BC3XNB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Rattus norvegicus (rat)) | BDBM50043394 (2-({4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-am...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.00250 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute Curated by ChEMBL | Assay Description Tested for inhibition against rat liver DHFR (dihydrofolate reductase) | J Med Chem 36: 4161-71 (1994) BindingDB Entry DOI: 10.7270/Q2BC3XNB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Pneumocystis carinii) | BDBM50043394 (2-({4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-am...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.000190 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute Curated by ChEMBL | Assay Description Tested for inhibition against P. carinii DHFR (dihydrofolate reductase) | J Med Chem 36: 4161-71 (1994) BindingDB Entry DOI: 10.7270/Q2BC3XNB | |||||||||||
More data for this Ligand-Target Pair |