BDBM50019387 4-Amino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-butyric acid::CHEMBL158970

SMILES: CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCN)C(O)=O

InChI Key: InChIKey=BSHCXJKJVUPICI-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 = 50019387   

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 (Mus musculus (Mouse))	BDBM50019387 (4-Amino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-me...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCN)C(O)=O Show InChI InChI=1S/C19H23N9O3/c1-28(9-11-8-23-16-14(24-11)15(21)26-19(22)27-16)12-4-2-10(3-5-12)17(29)25-13(6-7-20)18(30)31/h2-5,8,13H,6-7,9,20H2,1H3,(H,25,29)(H,30,31)(H4,21,22,23,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit purified dihydrofolate reductase(DHFR) from L1210/R81 cells				J Med Chem 29: 655-60 (1986) BindingDB Entry DOI: 10.7270/Q2RR1ZTR
					More data for this Ligand-Target Pair