Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 377.2 BDBM50042353

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

Found 6 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)	BDBM50042353 (CHEMBL116614 | N-(2,4-Diamino-5-methyl-pyrido[2,3-...) Show SMILES Cc1c(CN(C=O)c2ccc(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12 Show InChI InChI=1S/C16H14Cl2N6O/c1-8-9(5-21-15-13(8)14(19)22-16(20)23-15)6-24(7-25)10-2-3-11(17)12(18)4-10/h2-5,7H,6H2,1H3,(H4,19,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii dihydrofolate reductase				J Med Chem 36: 3437-43 (1993) BindingDB Entry DOI: 10.7270/Q2TH8KR5
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50042353 (CHEMBL116614 | N-(2,4-Diamino-5-methyl-pyrido[2,3-...) Show SMILES Cc1c(CN(C=O)c2ccc(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12 Show InChI InChI=1S/C16H14Cl2N6O/c1-8-9(5-21-15-13(8)14(19)22-16(20)23-15)6-24(7-25)10-2-3-11(17)12(18)4-10/h2-5,7H,6H2,1H3,(H4,19,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii dihydrofolate reductase				J Med Chem 48: 1448-69 (2005) Article DOI: 10.1021/jm040153n BindingDB Entry DOI: 10.7270/Q2V40TQ3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50042353 (CHEMBL116614 | N-(2,4-Diamino-5-methyl-pyrido[2,3-...) Show SMILES Cc1c(CN(C=O)c2ccc(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12 Show InChI InChI=1S/C16H14Cl2N6O/c1-8-9(5-21-15-13(8)14(19)22-16(20)23-15)6-24(7-25)10-2-3-11(17)12(18)4-10/h2-5,7H,6H2,1H3,(H4,19,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of rat liver dihydrofolate reductase				J Med Chem 48: 1448-69 (2005) Article DOI: 10.1021/jm040153n BindingDB Entry DOI: 10.7270/Q2V40TQ3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50042353 (CHEMBL116614 | N-(2,4-Diamino-5-methyl-pyrido[2,3-...) Show SMILES Cc1c(CN(C=O)c2ccc(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12 Show InChI InChI=1S/C16H14Cl2N6O/c1-8-9(5-21-15-13(8)14(19)22-16(20)23-15)6-24(7-25)10-2-3-11(17)12(18)4-10/h2-5,7H,6H2,1H3,(H4,19,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against rat liver dihydrofolate reductases				J Med Chem 36: 3437-43 (1993) BindingDB Entry DOI: 10.7270/Q2TH8KR5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50042353 (CHEMBL116614 | N-(2,4-Diamino-5-methyl-pyrido[2,3-...) Show SMILES Cc1c(CN(C=O)c2ccc(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12 Show InChI InChI=1S/C16H14Cl2N6O/c1-8-9(5-21-15-13(8)14(19)22-16(20)23-15)6-24(7-25)10-2-3-11(17)12(18)4-10/h2-5,7H,6H2,1H3,(H4,19,20,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii dihydrofolate reductase				J Med Chem 48: 1448-69 (2005) Article DOI: 10.1021/jm040153n BindingDB Entry DOI: 10.7270/Q2V40TQ3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50042353 (CHEMBL116614 | N-(2,4-Diamino-5-methyl-pyrido[2,3-...) Show SMILES Cc1c(CN(C=O)c2ccc(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12 Show InChI InChI=1S/C16H14Cl2N6O/c1-8-9(5-21-15-13(8)14(19)22-16(20)23-15)6-24(7-25)10-2-3-11(17)12(18)4-10/h2-5,7H,6H2,1H3,(H4,19,20,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii dihydrofolate reductase				J Med Chem 36: 3437-43 (1993) BindingDB Entry DOI: 10.7270/Q2TH8KR5
					More data for this Ligand-Target Pair