BDBM50074720 6-(2,5-Dimethoxy-benzyl)-5,6,7,8-tetrahydro-quinazoline-2,4-diamine::6-(2,5-dimethoxybenzyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine::CHEMBL7375

SMILES: COc1ccc(OC)c(CC2CCc3nc(N)nc(N)c3C2)c1

InChI Key: InChIKey=YGCBRLOKQASAIE-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50074720   

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 (Rattus norvegicus (rat))	BDBM50074720 (6-(2,5-Dimethoxy-benzyl)-5,6,7,8-tetrahydro-quinaz...) Show SMILES COc1ccc(OC)c(CC2CCc3nc(N)nc(N)c3C2)c1 Show InChI InChI=1S/C17H22N4O2/c1-22-12-4-6-15(23-2)11(9-12)7-10-3-5-14-13(8-10)16(18)21-17(19)20-14/h4,6,9-10H,3,5,7-8H2,1-2H3,(H4,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50074720 (6-(2,5-Dimethoxy-benzyl)-5,6,7,8-tetrahydro-quinaz...) Show SMILES COc1ccc(OC)c(CC2CCc3nc(N)nc(N)c3C2)c1 Show InChI InChI=1S/C17H22N4O2/c1-22-12-4-6-15(23-2)11(9-12)7-10-3-5-14-13(8-10)16(18)21-17(19)20-14/h4,6,9-10H,3,5,7-8H2,1-2H3,(H4,18,19,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50074720 (6-(2,5-Dimethoxy-benzyl)-5,6,7,8-tetrahydro-quinaz...) Show SMILES COc1ccc(OC)c(CC2CCc3nc(N)nc(N)c3C2)c1 Show InChI InChI=1S/C17H22N4O2/c1-22-12-4-6-15(23-2)11(9-12)7-10-3-5-14-13(8-10)16(18)21-17(19)20-14/h4,6,9-10H,3,5,7-8H2,1-2H3,(H4,18,19,20,21)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair