Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 318.7 BDBM50050402

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)	BDBM50050402 (6-(3-Chloro-phenylsulfanylmethyl)-pteridine-2,4-di...) Show SMILES Nc1nc(N)c2nc(CSc3cccc(Cl)c3)cnc2n1 Show InChI InChI=1S/C13H11ClN6S/c14-7-2-1-3-9(4-7)21-6-8-5-17-12-10(18-8)11(15)19-13(16)20-12/h1-5H,6H2,(H4,15,16,17,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Toxoplasma gondii dihydrofolate reductase				J Med Chem 39: 1271-80 (1996) Article DOI: 10.1021/jm950760y BindingDB Entry DOI: 10.7270/Q2154G39
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50050402 (6-(3-Chloro-phenylsulfanylmethyl)-pteridine-2,4-di...) Show SMILES Nc1nc(N)c2nc(CSc3cccc(Cl)c3)cnc2n1 Show InChI InChI=1S/C13H11ClN6S/c14-7-2-1-3-9(4-7)21-6-8-5-17-12-10(18-8)11(15)19-13(16)20-12/h1-5H,6H2,(H4,15,16,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibitory activity of the compound against rat liver dihydrofolate reductase				J Med Chem 39: 1271-80 (1996) Article DOI: 10.1021/jm950760y BindingDB Entry DOI: 10.7270/Q2154G39
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50050402 (6-(3-Chloro-phenylsulfanylmethyl)-pteridine-2,4-di...) Show SMILES Nc1nc(N)c2nc(CSc3cccc(Cl)c3)cnc2n1 Show InChI InChI=1S/C13H11ClN6S/c14-7-2-1-3-9(4-7)21-6-8-5-17-12-10(18-8)11(15)19-13(16)20-12/h1-5H,6H2,(H4,15,16,17,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Pneumocystis carinii dihydrofolate reductase				J Med Chem 39: 1271-80 (1996) Article DOI: 10.1021/jm950760y BindingDB Entry DOI: 10.7270/Q2154G39
					More data for this Ligand-Target Pair