null

SMILES: COc1ccc(OC)c(c1)C#Cc1cccc2nc(N)nc(N)c12

InChI Key: InChIKey=ZWXNKEWDCSTSQI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50036489   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50036489 (5-(2,5-Dimethoxy-phenylethynyl)-quinazoline-2,4-di...) Show SMILES COc1ccc(OC)c(c1)C#Cc1cccc2nc(N)nc(N)c12 Show InChI InChI=1S/C18H16N4O2/c1-23-13-8-9-15(24-2)12(10-13)7-6-11-4-3-5-14-16(11)17(19)22-18(20)21-14/h3-5,8-10H,1-2H3,(H4,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	140	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))	BDBM50036489 (5-(2,5-Dimethoxy-phenylethynyl)-quinazoline-2,4-di...) Show SMILES COc1ccc(OC)c(c1)C#Cc1cccc2nc(N)nc(N)c12 Show InChI InChI=1S/C18H16N4O2/c1-23-13-8-9-15(24-2)12(10-13)7-6-11-4-3-5-14-16(11)17(19)22-18(20)21-14/h3-5,8-10H,1-2H3,(H4,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50036489 (5-(2,5-Dimethoxy-phenylethynyl)-quinazoline-2,4-di...) Show SMILES COc1ccc(OC)c(c1)C#Cc1cccc2nc(N)nc(N)c12 Show InChI InChI=1S/C18H16N4O2/c1-23-13-8-9-15(24-2)12(10-13)7-6-11-4-3-5-14-16(11)17(19)22-18(20)21-14/h3-5,8-10H,1-2H3,(H4,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Toxoplasma gondii 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))	BDBM50036489 (5-(2,5-Dimethoxy-phenylethynyl)-quinazoline-2,4-di...) Show SMILES COc1ccc(OC)c(c1)C#Cc1cccc2nc(N)nc(N)c12 Show InChI InChI=1S/C18H16N4O2/c1-23-13-8-9-15(24-2)12(10-13)7-6-11-4-3-5-14-16(11)17(19)22-18(20)21-14/h3-5,8-10H,1-2H3,(H4,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.80E+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
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50036489 (5-(2,5-Dimethoxy-phenylethynyl)-quinazoline-2,4-di...) Show SMILES COc1ccc(OC)c(c1)C#Cc1cccc2nc(N)nc(N)c12 Show InChI InChI=1S/C18H16N4O2/c1-23-13-8-9-15(24-2)12(10-13)7-6-11-4-3-5-14-16(11)17(19)22-18(20)21-14/h3-5,8-10H,1-2H3,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.80E+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