Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM33403'   

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 (Mus musculus (Mouse))	BDBM33403 (2,4-diaminofuro[2,3-d]pyrimidine, 9) Show SMILES COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C(C)C Show InChI InChI=1S/C18H22N4O2/c1-10(2)13(12-6-4-5-7-14(12)23-3)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h4-7,9-10,13H,8H2,1-3H3,(H4,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...				Bioorg Med Chem 17: 7324-36 (2009) Article DOI: 10.1016/j.bmc.2009.08.044 BindingDB Entry DOI: 10.7270/Q2ZC8167
					More data for this Ligand-Target Pair				3D Structure (docked)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM33403 (2,4-diaminofuro[2,3-d]pyrimidine, 9) Show SMILES COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C(C)C Show InChI InChI=1S/C18H22N4O2/c1-10(2)13(12-6-4-5-7-14(12)23-3)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h4-7,9-10,13H,8H2,1-3H3,(H4,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	5.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...				Bioorg Med Chem 17: 7324-36 (2009) Article DOI: 10.1016/j.bmc.2009.08.044 BindingDB Entry DOI: 10.7270/Q2ZC8167
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM33403 (2,4-diaminofuro[2,3-d]pyrimidine, 9) Show SMILES COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C(C)C Show InChI InChI=1S/C18H22N4O2/c1-10(2)13(12-6-4-5-7-14(12)23-3)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h4-7,9-10,13H,8H2,1-3H3,(H4,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...				Bioorg Med Chem 17: 7324-36 (2009) Article DOI: 10.1016/j.bmc.2009.08.044 BindingDB Entry DOI: 10.7270/Q2ZC8167
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM33403 (2,4-diaminofuro[2,3-d]pyrimidine, 9) Show SMILES COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C(C)C Show InChI InChI=1S/C18H22N4O2/c1-10(2)13(12-6-4-5-7-14(12)23-3)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h4-7,9-10,13H,8H2,1-3H3,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...				Bioorg Med Chem 17: 7324-36 (2009) Article DOI: 10.1016/j.bmc.2009.08.044 BindingDB Entry DOI: 10.7270/Q2ZC8167
					More data for this Ligand-Target Pair