BDBM50011891 5-Amino-2-{4-[(2-amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanoic acid::CHEMBL35807

SMILES: NCCCC(NC(=O)c1ccc(NCc2ccc3nc(N)[nH]c(=O)c3c2)cc1)C(O)=O

InChI Key: InChIKey=XXHSFOMKJAVUID-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50011891   

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))	BDBM50011891 (5-Amino-2-{4-[(2-amino-4-oxo-3,4-dihydro-quinazoli...) Show SMILES NCCCC(NC(=O)c1ccc(NCc2ccc3nc(N)[nH]c(=O)c3c2)cc1)C(O)=O Show InChI InChI=1S/C21H24N6O4/c22-9-1-2-17(20(30)31)25-18(28)13-4-6-14(7-5-13)24-11-12-3-8-16-15(10-12)19(29)27-21(23)26-16/h3-8,10,17,24H,1-2,9,11,22H2,(H,25,28)(H,30,31)(H3,23,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase(DHFR) enzyme from human leukemic lymphoblasts.				J Med Chem 34: 1447-54 (1991) BindingDB Entry DOI: 10.7270/Q26Q1W6J
					More data for this Ligand-Target Pair