Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase' and Ligand = 'BDBM50531793'   

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 (Trypanosoma cruzi)	BDBM50531793 (CHEMBL4525462 | US11530198, Example 8) Show SMILES Cc1ccc(cc1)N1CCN(CC1)c1cnc(N)nc1N Show InChI InChI=1S/C15H20N6/c1-11-2-4-12(5-3-11)20-6-8-21(9-7-20)13-10-18-15(17)19-14(13)16/h2-5,10H,6-9H2,1H3,(H4,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.2	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)	BDBM50531793 (CHEMBL4525462 | US11530198, Example 8) Show SMILES Cc1ccc(cc1)N1CCN(CC1)c1cnc(N)nc1N Show InChI InChI=1S/C15H20N6/c1-11-2-4-12(5-3-11)20-6-8-21(9-7-20)13-10-18-15(17)19-14(13)16/h2-5,10H,6-9H2,1H3,(H4,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	181	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