Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 405.4 BDBM50056246

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)	BDBM50056246 (6-[(2,5-Dimethoxy-4-pyrrol-1-yl-phenylamino)-methy...) Show SMILES COc1cc(c(OC)cc1NCc1cnc2nc(N)nc(N)c2c1C)-n1cccc1 Show InChI InChI=1S/C21H23N7O2/c1-12-13(11-25-20-18(12)19(22)26-21(23)27-20)10-24-14-8-17(30-3)15(9-16(14)29-2)28-6-4-5-7-28/h4-9,11,24H,10H2,1-3H3,(H4,22,23,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate Reductase of Toxoplasma gondii.				J Med Chem 40: 479-85 (1997) Article DOI: 10.1021/jm960734f BindingDB Entry DOI: 10.7270/Q2348JGV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50056246 (6-[(2,5-Dimethoxy-4-pyrrol-1-yl-phenylamino)-methy...) Show SMILES COc1cc(c(OC)cc1NCc1cnc2nc(N)nc(N)c2c1C)-n1cccc1 Show InChI InChI=1S/C21H23N7O2/c1-12-13(11-25-20-18(12)19(22)26-21(23)27-20)10-24-14-8-17(30-3)15(9-16(14)29-2)28-6-4-5-7-28/h4-9,11,24H,10H2,1-3H3,(H4,22,23,25,26,27)	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 Dihydrofolate Reductase of Rat Liver.				J Med Chem 40: 479-85 (1997) Article DOI: 10.1021/jm960734f BindingDB Entry DOI: 10.7270/Q2348JGV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50056246 (6-[(2,5-Dimethoxy-4-pyrrol-1-yl-phenylamino)-methy...) Show SMILES COc1cc(c(OC)cc1NCc1cnc2nc(N)nc(N)c2c1C)-n1cccc1 Show InChI InChI=1S/C21H23N7O2/c1-12-13(11-25-20-18(12)19(22)26-21(23)27-20)10-24-14-8-17(30-3)15(9-16(14)29-2)28-6-4-5-7-28/h4-9,11,24H,10H2,1-3H3,(H4,22,23,25,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate Reductase of Pneumocystis carinii.				J Med Chem 40: 479-85 (1997) Article DOI: 10.1021/jm960734f BindingDB Entry DOI: 10.7270/Q2348JGV
					More data for this Ligand-Target Pair