BDBM50074736 6-(3,4-Dichloro-benzyl)-5,6,7,8-tetrahydro-quinazoline-2,4-diamine::6-(3,4-dichlorobenzyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine::CHEMBL6971

SMILES: Nc1nc(N)c2CC(Cc3ccc(Cl)c(Cl)c3)CCc2n1

InChI Key: InChIKey=AGHASEULGKEPPP-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 = 50074736   

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 (Pneumocystis carinii)	BDBM50074736 (6-(3,4-Dichloro-benzyl)-5,6,7,8-tetrahydro-quinazo...) Show SMILES Nc1nc(N)c2CC(Cc3ccc(Cl)c(Cl)c3)CCc2n1 Show InChI InChI=1S/C15H16Cl2N4/c16-11-3-1-9(7-12(11)17)5-8-2-4-13-10(6-8)14(18)21-15(19)20-13/h1,3,7-8H,2,4-6H2,(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	1.50E+4	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))	BDBM50074736 (6-(3,4-Dichloro-benzyl)-5,6,7,8-tetrahydro-quinazo...) Show SMILES Nc1nc(N)c2CC(Cc3ccc(Cl)c(Cl)c3)CCc2n1 Show InChI InChI=1S/C15H16Cl2N4/c16-11-3-1-9(7-12(11)17)5-8-2-4-13-10(6-8)14(18)21-15(19)20-13/h1,3,7-8H,2,4-6H2,(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	7.30E+3	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)	BDBM50074736 (6-(3,4-Dichloro-benzyl)-5,6,7,8-tetrahydro-quinazo...) Show SMILES Nc1nc(N)c2CC(Cc3ccc(Cl)c(Cl)c3)CCc2n1 Show InChI InChI=1S/C15H16Cl2N4/c16-11-3-1-9(7-12(11)17)5-8-2-4-13-10(6-8)14(18)21-15(19)20-13/h1,3,7-8H,2,4-6H2,(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	2.60E+3	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