BDBM50320792 CHEMBL1165388::Ethyl4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amino-2-methoxyphenoxy)butanoate::ethyl 4-(5-{[(2,4-diaminoquinazolin-6-yl)methyl]amino}-2-methoxyphenoxy)butanoate

SMILES: CCOC(=O)CCCOc1cc(ccc1OC)NCc2ccc3c(c2)c(nc(n3)N)N

InChI Key: InChIKey=YUHXPHNBJFUHSN-UHFFFAOYSA-N

Data: 3 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

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 5 hits for monomerid = 50320792   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dihydrofolate reductase (Human)	BDBM50320792 (Ethyl4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	68.3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Trypanosoma cruzi)	BDBM50320792 (Ethyl4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	23.8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Trypanosoma cruzi)	BDBM50320792 (Ethyl4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amin...) Show SMILES Show InChI	GoogleScholar	UniChem		1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Trypanosoma cruzi)	BDBM50320792 (Ethyl4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amin...) Show SMILES Show InChI	GoogleScholar	UniChem		5.68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human)	BDBM50320792 (Ethyl4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amin...) Show SMILES Show InChI	GoogleScholar	UniChem		9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair