Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 299.3 BDBM50067871

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

Found 6 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)	BDBM50067871 (6-(2-Methoxy-phenylsulfanyl)-pyrido[3,2-d]pyrimidi...) Show SMILES COc1ccccc1Sc1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C14H13N5OS/c1-20-9-4-2-3-5-10(9)21-11-7-6-8-12(18-11)13(15)19-14(16)17-8/h2-7H,1H3,(H4,15,16,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from Toxoplasma gondii				J Med Chem 41: 4533-41 (1998) Article DOI: 10.1021/jm980206z BindingDB Entry DOI: 10.7270/Q2FX78KJ
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50067871 (6-(2-Methoxy-phenylsulfanyl)-pyrido[3,2-d]pyrimidi...) Show SMILES COc1ccccc1Sc1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C14H13N5OS/c1-20-9-4-2-3-5-10(9)21-11-7-6-8-12(18-11)13(15)19-14(16)17-8/h2-7H,1H3,(H4,15,16,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	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 48: 1448-69 (2005) Article DOI: 10.1021/jm040153n BindingDB Entry DOI: 10.7270/Q2V40TQ3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50067871 (6-(2-Methoxy-phenylsulfanyl)-pyrido[3,2-d]pyrimidi...) Show SMILES COc1ccccc1Sc1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C14H13N5OS/c1-20-9-4-2-3-5-10(9)21-11-7-6-8-12(18-11)13(15)19-14(16)17-8/h2-7H,1H3,(H4,15,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	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 48: 1448-69 (2005) Article DOI: 10.1021/jm040153n BindingDB Entry DOI: 10.7270/Q2V40TQ3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50067871 (6-(2-Methoxy-phenylsulfanyl)-pyrido[3,2-d]pyrimidi...) Show SMILES COc1ccccc1Sc1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C14H13N5OS/c1-20-9-4-2-3-5-10(9)21-11-7-6-8-12(18-11)13(15)19-14(16)17-8/h2-7H,1H3,(H4,15,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver				J Med Chem 41: 4533-41 (1998) Article DOI: 10.1021/jm980206z BindingDB Entry DOI: 10.7270/Q2FX78KJ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50067871 (6-(2-Methoxy-phenylsulfanyl)-pyrido[3,2-d]pyrimidi...) Show SMILES COc1ccccc1Sc1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C14H13N5OS/c1-20-9-4-2-3-5-10(9)21-11-7-6-8-12(18-11)13(15)19-14(16)17-8/h2-7H,1H3,(H4,15,16,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	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 48: 1448-69 (2005) Article DOI: 10.1021/jm040153n BindingDB Entry DOI: 10.7270/Q2V40TQ3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50067871 (6-(2-Methoxy-phenylsulfanyl)-pyrido[3,2-d]pyrimidi...) Show SMILES COc1ccccc1Sc1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C14H13N5OS/c1-20-9-4-2-3-5-10(9)21-11-7-6-8-12(18-11)13(15)19-14(16)17-8/h2-7H,1H3,(H4,15,16,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from Pneumocystis carinii				J Med Chem 41: 4533-41 (1998) Article DOI: 10.1021/jm980206z BindingDB Entry DOI: 10.7270/Q2FX78KJ
					More data for this Ligand-Target Pair