Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50461738'   

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 (Pneumocystis jirovecii)	BDBM50461738 (CHEMBL4228228) Show SMILES CCCn1c(Sc2cccc(OC)c2)c(C)c2c(N)nc(N)nc12 Show InChI InChI=1S/C17H21N5OS/c1-4-8-22-15-13(14(18)20-17(19)21-15)10(2)16(22)24-12-7-5-6-11(9-12)23-3/h5-7,9H,4,8H2,1-3H3,(H4,18,19,20,21)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Pneumocystis jirovecii recombinant DHFR expressed in Escherichia coli Rosetta Gami B (DE3) competent cells using DHFA as substrate and ...				Bioorg Med Chem 26: 2640-2650 (2018) Article DOI: 10.1016/j.bmc.2018.04.032 BindingDB Entry DOI: 10.7270/Q2QJ7KXF
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50461738 (CHEMBL4228228) Show SMILES CCCn1c(Sc2cccc(OC)c2)c(C)c2c(N)nc(N)nc12 Show InChI InChI=1S/C17H21N5OS/c1-4-8-22-15-13(14(18)20-17(19)21-15)10(2)16(22)24-12-7-5-6-11(9-12)23-3/h5-7,9H,4,8H2,1-3H3,(H4,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human recombinant DHFR expressed in Escherichia coli Rosetta Gami B (DE3) competent cells using DHFA as substrate and NADPH				Bioorg Med Chem 26: 2640-2650 (2018) Article DOI: 10.1016/j.bmc.2018.04.032 BindingDB Entry DOI: 10.7270/Q2QJ7KXF
					More data for this Ligand-Target Pair