Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase' and Ligand = 'BDBM50531786'   

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)	BDBM50531786 (CHEMBL4573445 | US11530198, Example 74) Show SMILES Nc1ncc(N2CCN(CC2)c2cccc(c2)-c2cncnc2)c(N)n1 Show InChI InChI=1S/C18H20N8/c19-17-16(11-23-18(20)24-17)26-6-4-25(5-7-26)15-3-1-2-13(8-15)14-9-21-12-22-10-14/h1-3,8-12H,4-7H2,(H4,19,20,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.79	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TBD				Citation and Details BindingDB Entry DOI: 10.7270/Q2BR8X0H
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50531786 (CHEMBL4573445 | US11530198, Example 74) Show SMILES Nc1ncc(N2CCN(CC2)c2cccc(c2)-c2cncnc2)c(N)n1 Show InChI InChI=1S/C18H20N8/c19-17-16(11-23-18(20)24-17)26-6-4-25(5-7-26)15-3-1-2-13(8-15)14-9-21-12-22-10-14/h1-3,8-12H,4-7H2,(H4,19,20,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Vyera Pharmaceuticals, LLC Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii DHFR-TS expressed in Escherichia coli BL21 competent cells using DHF as substrate preincubated for 15 mins followed b...				J Med Chem 62: 1562-1576 (2019) Article DOI: 10.1021/acs.jmedchem.8b01754 BindingDB Entry DOI: 10.7270/Q2T43XJX
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Trypanosoma brucei brucei)	BDBM50531786 (CHEMBL4573445 | US11530198, Example 74) Show SMILES Nc1ncc(N2CCN(CC2)c2cccc(c2)-c2cncnc2)c(N)n1 Show InChI InChI=1S/C18H20N8/c19-17-16(11-23-18(20)24-17)26-6-4-25(5-7-26)15-3-1-2-13(8-15)14-9-21-12-22-10-14/h1-3,8-12H,4-7H2,(H4,19,20,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.62	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TBD				Citation and Details BindingDB Entry DOI: 10.7270/Q2BR8X0H
					More data for this Ligand-Target Pair