Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM497329'   

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)	BDBM497329 (US11001595, Compound 3 | US11111252, Compound 2) Show SMILES COc1cccc(Sc2sc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C14H14N4OS2/c1-7-10-11(15)17-14(16)18-12(10)21-13(7)20-9-5-3-4-8(6-9)19-2/h3-6H,1-2H3,(H4,15,16,17,18)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	177	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 7: The inhibitory activities of TMP and TMQ are listed for comparison. While the tested compounds displayed reduced potency against pjDHFR comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q21G0QF8
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human pneumocystis pneumonia agent)	BDBM497329 (US11001595, Compound 3 | US11111252, Compound 2) Show SMILES COc1cccc(Sc2sc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C14H14N4OS2/c1-7-10-11(15)17-14(16)18-12(10)21-13(7)20-9-5-3-4-8(6-9)19-2/h3-6H,1-2H3,(H4,15,16,17,18)	MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	213	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University of The Holy Spirit US Patent					Assay Description TBD				US Patent US11001595 (2021) BindingDB Entry DOI: 10.7270/Q25M68TQ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis jirovecii)	BDBM497329 (US11001595, Compound 3 | US11111252, Compound 2) Show SMILES COc1cccc(Sc2sc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C14H14N4OS2/c1-7-10-11(15)17-14(16)18-12(10)21-13(7)20-9-5-3-4-8(6-9)19-2/h3-6H,1-2H3,(H4,15,16,17,18)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	252	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 7: The inhibitory activities of TMP and TMQ are listed for comparison. While the tested compounds displayed reduced potency against pjDHFR comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q21G0QF8
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM497329 (US11001595, Compound 3 | US11111252, Compound 2) Show SMILES COc1cccc(Sc2sc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C14H14N4OS2/c1-7-10-11(15)17-14(16)18-12(10)21-13(7)20-9-5-3-4-8(6-9)19-2/h3-6H,1-2H3,(H4,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	624	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 7: The inhibitory activities of TMP and TMQ are listed for comparison. While the tested compounds displayed reduced potency against pjDHFR comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q21G0QF8
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM497329 (US11001595, Compound 3 | US11111252, Compound 2) Show SMILES COc1cccc(Sc2sc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C14H14N4OS2/c1-7-10-11(15)17-14(16)18-12(10)21-13(7)20-9-5-3-4-8(6-9)19-2/h3-6H,1-2H3,(H4,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University of The Holy Spirit US Patent					Assay Description TBD				US Patent US11001595 (2021) BindingDB Entry DOI: 10.7270/Q25M68TQ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM497329 (US11001595, Compound 3 | US11111252, Compound 2) Show SMILES COc1cccc(Sc2sc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C14H14N4OS2/c1-7-10-11(15)17-14(16)18-12(10)21-13(7)20-9-5-3-4-8(6-9)19-2/h3-6H,1-2H3,(H4,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 7: The inhibitory activities of TMP and TMQ are listed for comparison. While the tested compounds displayed reduced potency against pjDHFR comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q21G0QF8
					More data for this Ligand-Target Pair