BDBM50049154 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-3,3-difluoro-pentanedioic acid::CHEMBL160699

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

InChI Key: InChIKey=SMZNAVFRUJEECO-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 = 50049154   

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))	BDBM50049154 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(C(O)=O)C(F)(F)CC(O)=O Show InChI InChI=1S/C20H20F2N8O5/c1-30(8-10-7-25-16-13(26-10)15(23)28-19(24)29-16)11-4-2-9(3-5-11)17(33)27-14(18(34)35)20(21,22)6-12(31)32/h2-5,7,14H,6,8H2,1H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase (DHFR) isolated from CCRF-CEM human leukemia cells in experiment 2				J Med Chem 39: 56-65 (1996) Article DOI: 10.1021/jm950515e BindingDB Entry DOI: 10.7270/Q2Q81DR3
					More data for this Ligand-Target Pair