Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 308.3 BDBM50127154

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)	BDBM50127154 (5-((3,4-dichlorophenylamino)methyl)-7H-pyrrolo[2,3...) Show SMILES Nc1nc(N)c2c(CNc3cccc4CCCCc34)c[nH]c2n1 Show InChI InChI=1S/C17H20N6/c18-15-14-11(9-21-16(14)23-17(19)22-15)8-20-13-7-3-5-10-4-1-2-6-12(10)13/h3,5,7,9,20H,1-2,4,6,8H2,(H5,18,19,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrohydrofolate reductase(DHFR) of Toxoplasma gondii				J Med Chem 46: 1726-36 (2003) Article DOI: 10.1021/jm020466n BindingDB Entry DOI: 10.7270/Q2CR5SRW
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50127154 (5-((3,4-dichlorophenylamino)methyl)-7H-pyrrolo[2,3...) Show SMILES Nc1nc(N)c2c(CNc3cccc4CCCCc34)c[nH]c2n1 Show InChI InChI=1S/C17H20N6/c18-15-14-11(9-21-16(14)23-17(19)22-15)8-20-13-7-3-5-10-4-1-2-6-12(10)13/h3,5,7,9,20H,1-2,4,6,8H2,(H5,18,19,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+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))	BDBM50127154 (5-((3,4-dichlorophenylamino)methyl)-7H-pyrrolo[2,3...) Show SMILES Nc1nc(N)c2c(CNc3cccc4CCCCc34)c[nH]c2n1 Show InChI InChI=1S/C17H20N6/c18-15-14-11(9-21-16(14)23-17(19)22-15)8-20-13-7-3-5-10-4-1-2-6-12(10)13/h3,5,7,9,20H,1-2,4,6,8H2,(H5,18,19,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.93E+4	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