BindingDB PrimarySearch

BDBM50041176 2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid::CHEMBL278515

SMILES: CN(Cc1coc2nc(N)nc(N)c12)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O

InChI Key: InChIKey=WXINNGCGSCFUCR-UHFFFAOYSA-N

Data: 12 IC50

PDB links: 4 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50041176
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 (TS) (Lactobacillus casei)	BDBM50041176 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for TS in Lactobacillus casei				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50041176 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) 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 PDB UniChem Similars	PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for TS in human				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50041176 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in Lactobacillus casei				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50041176 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in rat liver				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50041176 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in Toxoplasma gondii				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50041176 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of T. gondii Dihydrofolate reductase				J Med Chem 41: 1409-16 (1998) Article DOI: 10.1021/jm9705420 BindingDB Entry DOI: 10.7270/Q2513XB9
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50041176 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) 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 PDB UniChem Similars	PDB PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in recombinant human				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii)	BDBM50041176 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in Pneumocystis carinii				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human))	BDBM50041176 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound in glycinamide ribonucleotide formyltransferase (GARFT) L. casei				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii)	BDBM50041176 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of P. carinii dihydrofolate reductase				J Med Chem 41: 1409-16 (1998) Article DOI: 10.1021/jm9705420 BindingDB Entry DOI: 10.7270/Q2513XB9
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50041176 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of rat liver				J Med Chem 41: 1409-16 (1998) Article DOI: 10.1021/jm9705420 BindingDB Entry DOI: 10.7270/Q2513XB9
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
AICAR transformylase (Homo sapiens (Human))	BDBM50041176 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against L. casei AICAR formyltransferase				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair