BDBM50041178 5-((3,4-dichlorophenylamino)methyl)furo[2,3-d]pyrimidine-2,4-diamine::5-[(3,4-Dichloro-phenylamino)-methyl]-furo[2,3-d]pyrimidine-2,4-diamine::CHEMBL274278
SMILES: Nc1nc(N)c2c(CNc3ccc(Cl)c(Cl)c3)coc2n1
InChI Key: InChIKey=IQXPYLVUVFJOHY-UHFFFAOYSA-N
Data: 7 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii) | BDBM50041178 (5-((3,4-dichlorophenylamino)methyl)furo[2,3-d]pyri...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >3.50E+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 Pneumocystis carinii | J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50041178 (5-((3,4-dichlorophenylamino)methyl)furo[2,3-d]pyri...) | PDB MMDB NCI pathway 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 | >1.50E+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 recombinant human | J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (DHFR) (Toxoplasma gondii) | BDBM50041178 (5-((3,4-dichlorophenylamino)methyl)furo[2,3-d]pyri...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 8.93E+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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (DHFR) (Toxoplasma gondii) | BDBM50041178 (5-((3,4-dichlorophenylamino)methyl)furo[2,3-d]pyri...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.93E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Inhibition of Toxoplasma gondii DHFR by spectrophotometric assay | Bioorg Med Chem 18: 1684-701 (2010) Article DOI: 10.1016/j.bmc.2009.12.066 BindingDB Entry DOI: 10.7270/Q2668D9K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Rattus norvegicus (rat)) | BDBM50041178 (5-((3,4-dichlorophenylamino)methyl)furo[2,3-d]pyri...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.52E+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 rat liver | J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Rattus norvegicus (rat)) | BDBM50041178 (5-((3,4-dichlorophenylamino)methyl)furo[2,3-d]pyri...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Inhibition of rat liver DHFR by spectrophotometric assay | Bioorg Med Chem 18: 1684-701 (2010) Article DOI: 10.1016/j.bmc.2009.12.066 BindingDB Entry DOI: 10.7270/Q2668D9K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Lactobacillus casei) | BDBM50041178 (5-((3,4-dichlorophenylamino)methyl)furo[2,3-d]pyri...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >3.00E+3 | 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 | |||||||||||
More data for this Ligand-Target Pair |