BDBM50010930 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-3-hydroxy-pentanedioic acid::CHEMBL307820

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

InChI Key: InChIKey=BBXRHFBLWJWOCL-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 = 50010930   

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))	BDBM50010930 (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)CC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N8O6/c1-28(8-10-7-23-17-15(24-10)16(21)26-20(22)27-17)11-4-2-9(3-5-11)18(32)25-14(19(33)34)12(29)6-13(30)31/h2-5,7,12,14,29H,6,8H2,1H3,(H,25,32)(H,30,31)(H,33,34)(H4,21,22,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
University of South Alabama Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity on Recombinant Human Dihydrofolate Reductase.				J Med Chem 34: 222-7 (1991) BindingDB Entry DOI: 10.7270/Q2XD10N1
					More data for this Ligand-Target Pair
Folylpoly-gamma-glutamate synthetase (Homo sapiens (Human))	BDBM50010930 (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)CC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N8O6/c1-28(8-10-7-23-17-15(24-10)16(21)26-20(22)27-17)11-4-2-9(3-5-11)18(32)25-14(19(33)34)12(29)6-13(30)31/h2-5,7,12,14,29H,6,8H2,1H3,(H,25,32)(H,30,31)(H,33,34)(H4,21,22,23,26,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of South Alabama Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Folyl-polyglutamate synthase in CCRF-CEM Human leukemia cell.				J Med Chem 34: 222-7 (1991) BindingDB Entry DOI: 10.7270/Q2XD10N1
					More data for this Ligand-Target Pair