BDBM50130312 4-[12-(4-Carboxy-4-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-butyrylamino)-dodecylcarbamoyl]-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-butyric acid::CHEMBL406356
SMILES: CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)NCCCCCCCCCCCCNC(=O)CCC(NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1)C(O)=O)C(O)=O
InChI Key: InChIKey=LUMMWHAIZGSLEH-UHFFFAOYSA-N
Data: 2 KI
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 (Mus musculus (Mouse)) | BDBM50130312 (4-[12-(4-Carboxy-4-{4-[(2,4-diamino-pteridin-6-ylm...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibitory constant of the compound for murine Wild-type dihydrofolate reductase (DHFR) | J Med Chem 46: 2816-8 (2003) Article DOI: 10.1021/jm034057i BindingDB Entry DOI: 10.7270/Q2JS9PTZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Mus musculus (Mouse)) | BDBM50130312 (4-[12-(4-Carboxy-4-{4-[(2,4-diamino-pteridin-6-ylm...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 212 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibitory constant of the compound for F31A/F34A murine dihydrofolate reductase (DHFR) | J Med Chem 46: 2816-8 (2003) Article DOI: 10.1021/jm034057i BindingDB Entry DOI: 10.7270/Q2JS9PTZ | |||||||||||
More data for this Ligand-Target Pair |