BDBM50026384 2-{4-[2-(2,4-Diamino-5,6,7,8-tetrahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::CHEMBL173271
SMILES: Nc1nc(N)c2CC(CCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)CNc2n1
InChI Key: InChIKey=JVKOZIXIYHORFY-UHFFFAOYSA-N
Data: 2 IC50
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 (Lactobacillus casei) | BDBM50026384 (2-{4-[2-(2,4-Diamino-5,6,7,8-tetrahydro-pyrido[2,3...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro inhibitory concentration against beef liver dihydrofolate reductase | J Med Chem 28: 914-21 (1985) BindingDB Entry DOI: 10.7270/Q2CN74HM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate Synthase (TS) (Lactobacillus casei) | BDBM50026384 (2-{4-[2-(2,4-Diamino-5,6,7,8-tetrahydro-pyrido[2,3...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 9.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro inhibitory concentration against Lactobacillus casei thymidylate synthetase | J Med Chem 28: 914-21 (1985) BindingDB Entry DOI: 10.7270/Q2CN74HM | |||||||||||
More data for this Ligand-Target Pair |