Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase' and Ligand = 'BDBM50034932'   

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)	BDBM50034932 (6-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-5...) Show SMILES COc1ccc(OC)c(c1)N(C)Cc1cnc2nc(N)nc(N)c2c1C Show InChI InChI=1S/C18H22N6O2/c1-10-11(8-21-17-15(10)16(19)22-18(20)23-17)9-24(2)13-7-12(25-3)5-6-14(13)26-4/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	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
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50034932 (6-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-5...) Show SMILES COc1ccc(OC)c(c1)N(C)Cc1cnc2nc(N)nc(N)c2c1C Show InChI InChI=1S/C18H22N6O2/c1-10-11(8-21-17-15(10)16(19)22-18(20)23-17)9-24(2)13-7-12(25-3)5-6-14(13)26-4/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii				J Med Chem 38: 1778-85 (1995) BindingDB Entry DOI: 10.7270/Q2FB520T
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50034932 (6-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-5...) Show SMILES COc1ccc(OC)c(c1)N(C)Cc1cnc2nc(N)nc(N)c2c1C Show InChI InChI=1S/C18H22N6O2/c1-10-11(8-21-17-15(10)16(19)22-18(20)23-17)9-24(2)13-7-12(25-3)5-6-14(13)26-4/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30.1	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
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50034932 (6-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-5...) Show SMILES COc1ccc(OC)c(c1)N(C)Cc1cnc2nc(N)nc(N)c2c1C Show InChI InChI=1S/C18H22N6O2/c1-10-11(8-21-17-15(10)16(19)22-18(20)23-17)9-24(2)13-7-12(25-3)5-6-14(13)26-4/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30.1	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase (DHFR) from Toxoplasma gondii(tg)				J Med Chem 42: 2447-55 (1999) Article DOI: 10.1021/jm990079m BindingDB Entry DOI: 10.7270/Q2833R62
					More data for this Ligand-Target Pair