Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50036485'   

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 (Homo sapiens (Human))	BDBM50036485 (5-[(3,4,5-Trimethoxy-phenylamino)-methyl]-quinazol...) Show SMILES COc1cc(NCc2cccc3nc(N)nc(N)c23)cc(OC)c1OC Show InChI InChI=1S/C18H21N5O3/c1-24-13-7-11(8-14(25-2)16(13)26-3)21-9-10-5-4-6-12-15(10)17(19)23-18(20)22-12/h4-8,21H,9H2,1-3H3,(H4,19,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Leu22-Phe mutant human Dihydrofolate reductase				J Med Chem 38: 745-52 (1995) BindingDB Entry DOI: 10.7270/Q2JQ11PK
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50036485 (5-[(3,4,5-Trimethoxy-phenylamino)-methyl]-quinazol...) Show SMILES COc1cc(NCc2cccc3nc(N)nc(N)c23)cc(OC)c1OC Show InChI InChI=1S/C18H21N5O3/c1-24-13-7-11(8-14(25-2)16(13)26-3)21-9-10-5-4-6-12-15(10)17(19)23-18(20)22-12/h4-8,21H,9H2,1-3H3,(H4,19,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory compound against Wild-type human DHFR.				J Med Chem 38: 745-52 (1995) BindingDB Entry DOI: 10.7270/Q2JQ11PK
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50036485 (5-[(3,4,5-Trimethoxy-phenylamino)-methyl]-quinazol...) Show SMILES COc1cc(NCc2cccc3nc(N)nc(N)c23)cc(OC)c1OC Show InChI InChI=1S/C18H21N5O3/c1-24-13-7-11(8-14(25-2)16(13)26-3)21-9-10-5-4-6-12-15(10)17(19)23-18(20)22-12/h4-8,21H,9H2,1-3H3,(H4,19,20,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Pneumocystis carinii Dihydrofolate reductase				J Med Chem 38: 745-52 (1995) BindingDB Entry DOI: 10.7270/Q2JQ11PK
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50036485 (5-[(3,4,5-Trimethoxy-phenylamino)-methyl]-quinazol...) Show SMILES COc1cc(NCc2cccc3nc(N)nc(N)c23)cc(OC)c1OC Show InChI InChI=1S/C18H21N5O3/c1-24-13-7-11(8-14(25-2)16(13)26-3)21-9-10-5-4-6-12-15(10)17(19)23-18(20)22-12/h4-8,21H,9H2,1-3H3,(H4,19,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against rat liver Dihydrofolate reductase				J Med Chem 38: 745-52 (1995) BindingDB Entry DOI: 10.7270/Q2JQ11PK
					More data for this Ligand-Target Pair