BDBM50022386 2-{4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyrido[3,2-d]pyrimidin-6-yl)-ethylamino]-benzoylamino}-pentanedioic acid::CHEMBL290815
SMILES: Nc1nc2CCC(CCNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1
InChI Key: InChIKey=KWOGIKPULGQYDN-UHFFFAOYSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thymidylate Synthase (TS) (Lactobacillus casei) | BDBM50022386 (2-{4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyri...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
SRI International Curated by ChEMBL | Assay Description Inhibitory activity against thymidylate synthase of Lactobacillus casei | J Med Chem 31: 150-3 (1988) BindingDB Entry DOI: 10.7270/Q2GX4C44 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human)) | BDBM50022386 (2-{4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyri...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SRI International Curated by ChEMBL | Assay Description Inhibitory activity against GAR transformylase of Lactobacillus casei | J Med Chem 31: 150-3 (1988) BindingDB Entry DOI: 10.7270/Q2GX4C44 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
AICAR transformylase (Homo sapiens (Human)) | BDBM50022386 (2-{4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyri...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SRI International Curated by ChEMBL | Assay Description Inhibitory activity against AICAR formyltransferase of Lactobacillus casei | J Med Chem 31: 150-3 (1988) BindingDB Entry DOI: 10.7270/Q2GX4C44 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Lactobacillus casei) | BDBM50022386 (2-{4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyri...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
SRI International Curated by ChEMBL | Assay Description Inhibitory activity against dihydrofolate reductase of Lactobacillus casei | J Med Chem 31: 150-3 (1988) BindingDB Entry DOI: 10.7270/Q2GX4C44 | |||||||||||
More data for this Ligand-Target Pair |