Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 286.2 BDBM50059939

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50059939 (8-(2,5-Dimethoxy-phenyl)-9H-purine-2,6-diamine | 8...) Show SMILES COc1ccc(OC)c(c1)-c1nc2nc(N)nc(N)c2[nH]1 Show InChI InChI=1S/C13H14N6O2/c1-20-6-3-4-8(21-2)7(5-6)11-16-9-10(14)17-13(15)19-12(9)18-11/h3-5H,1-2H3,(H5,14,15,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii dihydrofolate reductase				J Med Chem 40: 3032-9 (1997) Article DOI: 10.1021/jm970271t BindingDB Entry DOI: 10.7270/Q2GX49PG
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50059939 (8-(2,5-Dimethoxy-phenyl)-9H-purine-2,6-diamine | 8...) Show SMILES COc1ccc(OC)c(c1)-c1nc2nc(N)nc(N)c2[nH]1 Show InChI InChI=1S/C13H14N6O2/c1-20-6-3-4-8(21-2)7(5-6)11-16-9-10(14)17-13(15)19-12(9)18-11/h3-5H,1-2H3,(H5,14,15,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	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))	BDBM50059939 (8-(2,5-Dimethoxy-phenyl)-9H-purine-2,6-diamine | 8...) Show SMILES COc1ccc(OC)c(c1)-c1nc2nc(N)nc(N)c2[nH]1 Show InChI InChI=1S/C13H14N6O2/c1-20-6-3-4-8(21-2)7(5-6)11-16-9-10(14)17-13(15)19-12(9)18-11/h3-5H,1-2H3,(H5,14,15,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of rat liver dihydrofolate reductase				J Med Chem 40: 3032-9 (1997) Article DOI: 10.1021/jm970271t BindingDB Entry DOI: 10.7270/Q2GX49PG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50059939 (8-(2,5-Dimethoxy-phenyl)-9H-purine-2,6-diamine | 8...) Show SMILES COc1ccc(OC)c(c1)-c1nc2nc(N)nc(N)c2[nH]1 Show InChI InChI=1S/C13H14N6O2/c1-20-6-3-4-8(21-2)7(5-6)11-16-9-10(14)17-13(15)19-12(9)18-11/h3-5H,1-2H3,(H5,14,15,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	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 (Pneumocystis carinii)	BDBM50059939 (8-(2,5-Dimethoxy-phenyl)-9H-purine-2,6-diamine | 8...) Show SMILES COc1ccc(OC)c(c1)-c1nc2nc(N)nc(N)c2[nH]1 Show InChI InChI=1S/C13H14N6O2/c1-20-6-3-4-8(21-2)7(5-6)11-16-9-10(14)17-13(15)19-12(9)18-11/h3-5H,1-2H3,(H5,14,15,16,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii dihydrofolate reductase				J Med Chem 40: 3032-9 (1997) Article DOI: 10.1021/jm970271t BindingDB Entry DOI: 10.7270/Q2GX49PG
					More data for this Ligand-Target Pair