BDBM50074725 6-tert-Butyl-5,6,7,8-tetrahydro-quinazoline-2,4-diamine::6-tert-butyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine::CHEMBL7571

SMILES: CC(C)(C)C1CCc2nc(N)nc(N)c2C1

InChI Key: InChIKey=ZNQWFSHAFZBMJV-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 = 50074725   

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
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50074725 (6-tert-Butyl-5,6,7,8-tetrahydro-quinazoline-2,4-di...) Show SMILES CC(C)(C)C1CCc2nc(N)nc(N)c2C1 Show InChI InChI=1S/C12H20N4/c1-12(2,3)7-4-5-9-8(6-7)10(13)16-11(14)15-9/h7H,4-6H2,1-3H3,(H4,13,14,15,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	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)	BDBM50074725 (6-tert-Butyl-5,6,7,8-tetrahydro-quinazoline-2,4-di...) Show SMILES CC(C)(C)C1CCc2nc(N)nc(N)c2C1 Show InChI InChI=1S/C12H20N4/c1-12(2,3)7-4-5-9-8(6-7)10(13)16-11(14)15-9/h7H,4-6H2,1-3H3,(H4,13,14,15,16)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	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
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50074725 (6-tert-Butyl-5,6,7,8-tetrahydro-quinazoline-2,4-di...) Show SMILES CC(C)(C)C1CCc2nc(N)nc(N)c2C1 Show InChI InChI=1S/C12H20N4/c1-12(2,3)7-4-5-9-8(6-7)10(13)16-11(14)15-9/h7H,4-6H2,1-3H3,(H4,13,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	65	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