BDBM50051746 5-Amino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-4,4-difluoro-pentanoic acid::CHEMBL83644

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

InChI Key: InChIKey=AVMOJIXENQBMTQ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50051746   

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
Folylpoly-gamma-glutamate synthetase (Homo sapiens (Human))	BDBM50051746 (5-Amino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-me...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CC(F)(F)CN)C(O)=O Show InChI InChI=1S/C20H23F2N9O3/c1-31(8-11-7-26-16-14(27-11)15(24)29-19(25)30-16)12-4-2-10(3-5-12)17(32)28-13(18(33)34)6-20(21,22)9-23/h2-5,7,13H,6,8-9,23H2,1H3,(H,28,32)(H,33,34)(H4,24,25,26,29,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory concentration against human Folyl-polyglutamate synthase isolated from CCRF-CEM human leukemia cells.				J Med Chem 39: 2536-40 (1996) Article DOI: 10.1021/jm960046w BindingDB Entry DOI: 10.7270/Q2000158
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50051746 (5-Amino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-me...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CC(F)(F)CN)C(O)=O Show InChI InChI=1S/C20H23F2N9O3/c1-31(8-11-7-26-16-14(27-11)15(24)29-19(25)30-16)12-4-2-10(3-5-12)17(32)28-13(18(33)34)6-20(21,22)9-23/h2-5,7,13H,6,8-9,23H2,1H3,(H,28,32)(H,33,34)(H4,24,25,26,29,30)	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 concentration against dihydrofolate reductase enzyme (DHFR) enzyme isolated from CCRF-CEM human leukemia cells.				J Med Chem 39: 2536-40 (1996) Article DOI: 10.1021/jm960046w BindingDB Entry DOI: 10.7270/Q2000158
					More data for this Ligand-Target Pair