BindingDB PrimarySearch

BDBM50158536 (S)-2-{4-[3-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl)-propyl]-benzoylamino}-pentanedioic acid::CHEMBL223279::N-{4-[3-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)propyl]-benzoyl}-L-glutamicacid

SMILES: Nc1nc(N)c2c(CCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)coc2n1

InChI Key: InChIKey=FIVQYIXYOHOMEF-AWEZNQCLSA-N

Data: 12 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50158536
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Thymidylate synthase (Escherichia coli)	BDBM50158536 ((S)-2-{4-[3-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	7.4	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli thymidylate synthetase at 37 degree C pH 7.4				J Med Chem 48: 5329-36 (2005) Article DOI: 10.1021/jm058213s BindingDB Entry DOI: 10.7270/Q2RV0PF5
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50158536 ((S)-2-{4-[3-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl...) Show SMILES Show InChI	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	7.4	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli dihydrofolate reductase at 37 degree C pH 7.4				J Med Chem 48: 5329-36 (2005) Article DOI: 10.1021/jm058213s BindingDB Entry DOI: 10.7270/Q2RV0PF5
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50158536 ((S)-2-{4-[3-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	7.4	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Lactobacillus casei dihydrofolate reductase at 37 degree C pH 7.4				J Med Chem 48: 5329-36 (2005) Article DOI: 10.1021/jm058213s BindingDB Entry DOI: 10.7270/Q2RV0PF5
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50158536 ((S)-2-{4-[3-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	7.4	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human dihydrofolate reductase at 37 degree C pH 7.4				J Med Chem 48: 5329-36 (2005) Article DOI: 10.1021/jm058213s BindingDB Entry DOI: 10.7270/Q2RV0PF5
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50158536 ((S)-2-{4-[3-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+4	n/a	n/a	n/a	n/a	7.4	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthetase at 37 degree C pH 7.4				J Med Chem 48: 5329-36 (2005) Article DOI: 10.1021/jm058213s BindingDB Entry DOI: 10.7270/Q2RV0PF5
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50158536 ((S)-2-{4-[3-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human recombinant DHFR				J Med Chem 47: 6893-901 (2004) Article DOI: 10.1021/jm040123k BindingDB Entry DOI: 10.7270/Q2V40W1Z
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50158536 ((S)-2-{4-[3-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli thymidylate synthase				J Med Chem 47: 6893-901 (2004) Article DOI: 10.1021/jm040123k BindingDB Entry DOI: 10.7270/Q2V40W1Z
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidylate Synthase (TS) (Lactobacillus casei)	BDBM50158536 ((S)-2-{4-[3-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Lactobacillus casei thymidylate synthase				J Med Chem 47: 6893-901 (2004) Article DOI: 10.1021/jm040123k BindingDB Entry DOI: 10.7270/Q2V40W1Z
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50158536 ((S)-2-{4-[3-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Lactobacillus casei DHFR				J Med Chem 47: 6893-901 (2004) Article DOI: 10.1021/jm040123k BindingDB Entry DOI: 10.7270/Q2V40W1Z
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50158536 ((S)-2-{4-[3-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human recombinant thymidylate synthase				J Med Chem 47: 6893-901 (2004) Article DOI: 10.1021/jm040123k BindingDB Entry DOI: 10.7270/Q2V40W1Z
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50158536 ((S)-2-{4-[3-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl...) Show SMILES Show InChI	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DHFR				J Med Chem 47: 6893-901 (2004) Article DOI: 10.1021/jm040123k BindingDB Entry DOI: 10.7270/Q2V40W1Z
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidylate Synthase (TS) (Lactobacillus casei)	BDBM50158536 ((S)-2-{4-[3-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.4	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Lactobacillus casei thymidylate synthetase at 37 degree C pH 7.4				J Med Chem 48: 5329-36 (2005) Article DOI: 10.1021/jm058213s BindingDB Entry DOI: 10.7270/Q2RV0PF5
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair