BDBM50367343 (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid::FOLIC ACID::Folacin::Folvite::Vitamin B9::Vitamin M
SMILES: Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2c(=O)[nH]1
InChI Key: InChIKey=OVBPIULPVIDEAO-LBPRGKRZSA-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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Solute carrier organic anion transporter family member 1A3 (Rattus norvegicus) | BDBM50367343 ((2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase KEGG MMDB PC cid PC sid UniChem Similars | PubMed | 1.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University Hospital Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of MTX uptake in OAT-K1-expressing MDCK cells | J Pharmacol Exp Ther 293: 1034-9 (2000) BindingDB Entry DOI: 10.7270/Q2PK0HFQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate synthase (Homo sapiens (Human)) | BDBM50367343 ((2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG MMDB PC cid PC sid UniChem Similars | PubMed | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory constant of thymidylate synthase was determined in human AML cells | J Med Chem 30: 675-8 (1987) BindingDB Entry DOI: 10.7270/Q2G44QW6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate synthase (Mus musculus) | BDBM50367343 ((2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase KEGG MMDB PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against the thymidylate synthase in the Permeabilized L1210 cells | J Med Chem 29: 1263-9 (1987) BindingDB Entry DOI: 10.7270/Q2BG2PK6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Escherichia coli) | BDBM50367343 ((2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase KEGG MMDB PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 4.40E+3 | n/a | n/a | n/a | 7.0 | n/a |
Pennsylvania State University Curated by ChEMBL | Assay Description Dissociation constant at(Koff) Tyr-31 of dihydrofolate reductase (DHFR) | J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate synthase/GAR transformylase/AICAR transformylase (Homo sapiens (Human)) | BDBM50367343 ((2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG MMDB PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for the alpha-Adrenoceptor pA2 blocking activity in vitro in rabbit thoracic aorta | J Med Chem 30: 675-8 (1987) BindingDB Entry DOI: 10.7270/Q2G44QW6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate synthase (Mus musculus) | BDBM50367343 ((2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase KEGG MMDB PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against thymidylate synthase in the intact L1210 cells | J Med Chem 29: 1263-9 (1987) BindingDB Entry DOI: 10.7270/Q2BG2PK6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Escherichia coli) | BDBM50367343 ((2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase KEGG MMDB PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 810 | n/a | n/a | n/a | 7.0 | n/a |
Pennsylvania State University Curated by ChEMBL | Assay Description Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7 | J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Escherichia coli) | BDBM50367343 ((2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase KEGG MMDB PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 4.80E+3 | n/a | n/a | n/a | 7.0 | 25 |
Pennsylvania State University Curated by ChEMBL | Assay Description Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7 | J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF | |||||||||||
More data for this Ligand-Target Pair |