Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 340.2 BDBM18265

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

Found 4 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
Dihydrofolate reductase (Mycobacterium avium)	BDBM18265 (6-[(3,4-dichlorophenyl)sulfanyl]-5-methyl-7H-pyrro...) Show SMILES Cc1c(Sc2ccc(Cl)c(Cl)c2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C13H11Cl2N5S/c1-5-9-10(16)18-13(17)20-11(9)19-12(5)21-6-2-3-7(14)8(15)4-6/h2-4H,1H3,(H5,16,17,18,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM18265 (6-[(3,4-dichlorophenyl)sulfanyl]-5-methyl-7H-pyrro...) Show SMILES Cc1c(Sc2ccc(Cl)c(Cl)c2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C13H11Cl2N5S/c1-5-9-10(16)18-13(17)20-11(9)19-12(5)21-6-2-3-7(14)8(15)4-6/h2-4H,1H3,(H5,16,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18265 (6-[(3,4-dichlorophenyl)sulfanyl]-5-methyl-7H-pyrro...) Show SMILES Cc1c(Sc2ccc(Cl)c(Cl)c2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C13H11Cl2N5S/c1-5-9-10(16)18-13(17)20-11(9)19-12(5)21-6-2-3-7(14)8(15)4-6/h2-4H,1H3,(H5,16,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18265 (6-[(3,4-dichlorophenyl)sulfanyl]-5-methyl-7H-pyrro...) Show SMILES Cc1c(Sc2ccc(Cl)c(Cl)c2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C13H11Cl2N5S/c1-5-9-10(16)18-13(17)20-11(9)19-12(5)21-6-2-3-7(14)8(15)4-6/h2-4H,1H3,(H5,16,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair