BDBM50041180 5-[(2,5-Dimethoxy-phenylamino)-methyl]-furo[2,3-d]pyrimidine-2,4-diamine::CHEMBL17044

SMILES: COc1ccc(OC)c(NCc2coc3nc(N)nc(N)c23)c1

InChI Key: InChIKey=PKKNZBRQGXNJCE-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50041180   

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 (Homo sapiens (Human))	BDBM50041180 (5-[(2,5-Dimethoxy-phenylamino)-methyl]-furo[2,3-d]...) Show SMILES COc1ccc(OC)c(NCc2coc3nc(N)nc(N)c23)c1 Show InChI InChI=1S/C15H17N5O3/c1-21-9-3-4-11(22-2)10(5-9)18-6-8-7-23-14-12(8)13(16)19-15(17)20-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,20)	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 (Rattus norvegicus (rat))	BDBM50041180 (5-[(2,5-Dimethoxy-phenylamino)-methyl]-furo[2,3-d]...) Show SMILES COc1ccc(OC)c(NCc2coc3nc(N)nc(N)c23)c1 Show InChI InChI=1S/C15H17N5O3/c1-21-9-3-4-11(22-2)10(5-9)18-6-8-7-23-14-12(8)13(16)19-15(17)20-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,20)	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	>2.10E+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 (Lactobacillus casei)	BDBM50041180 (5-[(2,5-Dimethoxy-phenylamino)-methyl]-furo[2,3-d]...) Show SMILES COc1ccc(OC)c(NCc2coc3nc(N)nc(N)c23)c1 Show InChI InChI=1S/C15H17N5O3/c1-21-9-3-4-11(22-2)10(5-9)18-6-8-7-23-14-12(8)13(16)19-15(17)20-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.10E+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 Lactobacillus casei				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii)	BDBM50041180 (5-[(2,5-Dimethoxy-phenylamino)-methyl]-furo[2,3-d]...) Show SMILES COc1ccc(OC)c(NCc2coc3nc(N)nc(N)c23)c1 Show InChI InChI=1S/C15H17N5O3/c1-21-9-3-4-11(22-2)10(5-9)18-6-8-7-23-14-12(8)13(16)19-15(17)20-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,20)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.10E+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 (DHFR) (Toxoplasma gondii)	BDBM50041180 (5-[(2,5-Dimethoxy-phenylamino)-methyl]-furo[2,3-d]...) Show SMILES COc1ccc(OC)c(NCc2coc3nc(N)nc(N)c23)c1 Show InChI InChI=1S/C15H17N5O3/c1-21-9-3-4-11(22-2)10(5-9)18-6-8-7-23-14-12(8)13(16)19-15(17)20-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.10E+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