Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 335.3 BDBM50495830Purchase

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

Found 3 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)	BDBM50495830 (CHEMBL1530518) Show SMILES COC(=O)Nc1nc2cc(ccc2[nH]1)-c1nnc(O)c2ccccc12 Show InChI InChI=1S/C17H13N5O3/c1-25-17(24)20-16-18-12-7-6-9(8-13(12)19-16)14-10-4-2-3-5-11(10)15(23)22-21-14/h2-8H,1H3,(H,22,23)(H2,18,19,20,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii TS-DHFR using methylenetetrahydrofolate/dUMP as sustrate preincubated for 10 mins followed by substrate addition				Bioorg Med Chem Lett 24: 1232-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.039 BindingDB Entry DOI: 10.7270/Q23R0WTN
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50495830 (CHEMBL1530518) Show SMILES COC(=O)Nc1nc2cc(ccc2[nH]1)-c1nnc(O)c2ccccc12 Show InChI InChI=1S/C17H13N5O3/c1-25-17(24)20-16-18-12-7-6-9(8-13(12)19-16)14-10-4-2-3-5-11(10)15(23)22-21-14/h2-8H,1H3,(H,22,23)(H2,18,19,20,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.39E+5	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii TS-DHFR by Michaelis-Menten plot analysis in presence of bovine serum albumin				Bioorg Med Chem Lett 24: 1232-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.039 BindingDB Entry DOI: 10.7270/Q23R0WTN
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50495830 (CHEMBL1530518) Show SMILES COC(=O)Nc1nc2cc(ccc2[nH]1)-c1nnc(O)c2ccccc12 Show InChI InChI=1S/C17H13N5O3/c1-25-17(24)20-16-18-12-7-6-9(8-13(12)19-16)14-10-4-2-3-5-11(10)15(23)22-21-14/h2-8H,1H3,(H,22,23)(H2,18,19,20,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.42E+5	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii TS-DHFR using methylenetetrahydrofolate/dUMP as sustrate				Bioorg Med Chem Lett 24: 1232-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.039 BindingDB Entry DOI: 10.7270/Q23R0WTN
					More data for this Ligand-Target Pair