BDBM50054214 2-{4-[(2-Amino-4-hydroxy-pteridin-6-ylmethyl)-amino]-benzoylamino}-3-(1H-imidazol-4-yl)-propionic acid::CHEMBL137370

SMILES: Nc1nc2ncc(CNc3ccc(cc3)C(=O)NC(Cc3cnc[nH]3)C(O)=O)nc2c(=O)[nH]1

InChI Key: InChIKey=FKVRTWTUJJKJFM-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 = 50054214   

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))	BDBM50054214 (2-{4-[(2-Amino-4-hydroxy-pteridin-6-ylmethyl)-amin...) Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)NC(Cc3cnc[nH]3)C(O)=O)nc2c(=O)[nH]1 Show InChI InChI=1S/C20H19N9O4/c21-20-28-16-15(18(31)29-20)26-13(8-24-16)7-23-11-3-1-10(2-4-11)17(30)27-14(19(32)33)5-12-6-22-9-25-12/h1-4,6,8-9,14,23H,5,7H2,(H,22,25)(H,27,30)(H,32,33)(H3,21,24,28,29,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against Folyl-polyglutamate synthase from CCRF-CEM human leukemia cells.				J Med Chem 39: 4340-4 (1996) Article DOI: 10.1021/jm960250j BindingDB Entry DOI: 10.7270/Q2JH3K8H
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50054214 (2-{4-[(2-Amino-4-hydroxy-pteridin-6-ylmethyl)-amin...) Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)NC(Cc3cnc[nH]3)C(O)=O)nc2c(=O)[nH]1 Show InChI InChI=1S/C20H19N9O4/c21-20-28-16-15(18(31)29-20)26-13(8-24-16)7-23-11-3-1-10(2-4-11)17(30)27-14(19(32)33)5-12-6-22-9-25-12/h1-4,6,8-9,14,23H,5,7H2,(H,22,25)(H,27,30)(H,32,33)(H3,21,24,28,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description compound was evaluated for the inhibitory activity against Dihydrofolate reductase in permeabilised L1210 cells.				J Med Chem 39: 4340-4 (1996) Article DOI: 10.1021/jm960250j BindingDB Entry DOI: 10.7270/Q2JH3K8H
					More data for this Ligand-Target Pair