BDBM50005518 (S)-2-(4-(2-((R)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl)ethyl)benzamido)pentanedioic acid::(S)-2-(4-(2-((R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl)ethyl)benzamido)pentanedioic acid::(S)-2-{(R)-4-[2-((R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::(S)-2-{(R)-4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::(S)-2-{(S)-4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::(S)-2-{4-[2-((R)-2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::(S)-2-{4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::2-{4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::CHEMBL142806::LOMETREXOL
SMILES: Nc1nc2NCC(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1
InChI Key: InChIKey=ZUQBAQVRAURMCL-CVRLYYSRSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human)) | BDBM50005518 ((S)-2-(4-(2-((R)-2-amino-4-oxo-1,4,5,6,7,8-hexahyd...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Inhibition of human recombinant GAR Tfase | J Med Chem 49: 2998-3002 (2006) Article DOI: 10.1021/jm0601147 BindingDB Entry DOI: 10.7270/Q2VX0H9X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
AICAR transformylase (Homo sapiens (Human)) | BDBM50005518 ((S)-2-(4-(2-((R)-2-amino-4-oxo-1,4,5,6,7,8-hexahyd...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Inhibition of human recombinant AICAR Tfase | J Med Chem 49: 2998-3002 (2006) Article DOI: 10.1021/jm0601147 BindingDB Entry DOI: 10.7270/Q2VX0H9X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human)) | BDBM50005518 ((S)-2-(4-(2-((R)-2-amino-4-oxo-1,4,5,6,7,8-hexahyd...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories Curated by ChEMBL | Assay Description Ability to inhibit glycinamide ribonucleotide transformylase (GAR-Tfase) in vitro, using hog liver with (6R)-10-formyl-FH4 as cofactor | J Med Chem 37: 2112-5 (1994) BindingDB Entry DOI: 10.7270/Q2KH0MCF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human)) | BDBM50005518 ((S)-2-(4-(2-((R)-2-amino-4-oxo-1,4,5,6,7,8-hexahyd...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University School of Medicine Curated by ChEMBL | Assay Description Inhibition of GARFTase in human KB cells assessed as inhibition of [14C]glycine incorporation into [14C]formylGAR in presence of azaserine | J Med Chem 51: 5052-63 (2008) Article DOI: 10.1021/jm8003366 BindingDB Entry DOI: 10.7270/Q24F1RNB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GAR transformylase (Mus musculus) | BDBM50005518 ((S)-2-(4-(2-((R)-2-amino-4-oxo-1,4,5,6,7,8-hexahyd...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Inhibition of mouse recombinant GARFtase assessed as FGAR formation by spectrophotometry | J Med Chem 53: 1306-18 (2010) Article DOI: 10.1021/jm9015729 BindingDB Entry DOI: 10.7270/Q23N24B0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human)) | BDBM50005518 ((S)-2-(4-(2-((R)-2-amino-4-oxo-1,4,5,6,7,8-hexahyd...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Inhibition of GARFtase in human KB cells assessed as [14C]glycine incorporation in to [14C]FGAR in folate free RPMI medium with 2 nM LCV by in-situas... | J Med Chem 53: 1306-18 (2010) Article DOI: 10.1021/jm9015729 BindingDB Entry DOI: 10.7270/Q23N24B0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GAR transformylase (Mus musculus) | BDBM50005518 ((S)-2-(4-(2-((R)-2-amino-4-oxo-1,4,5,6,7,8-hexahyd...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University School of Medicine Curated by ChEMBL | Assay Description Inhibition of mouse recombinant GARFTase | J Med Chem 51: 5052-63 (2008) Article DOI: 10.1021/jm8003366 BindingDB Entry DOI: 10.7270/Q24F1RNB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human)) | BDBM50005518 ((S)-2-(4-(2-((R)-2-amino-4-oxo-1,4,5,6,7,8-hexahyd...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.77 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Inhibition of GARFTase in human IGROV1 cells assessed as reduction in [14C]glycine incorporation into [14C]formyl GAR incubated for 15 hrs in complet... | J Med Chem 55: 1758-70 (2012) Article DOI: 10.1021/jm201688n BindingDB Entry DOI: 10.7270/Q26Q1ZB5 | |||||||||||
More data for this Ligand-Target Pair |