BDBM50010929 2-{4-[2-(2,4-Diamino-pteridin-6-yl)-ethyl]-benzoylamino}-4-methylene-pentanedioic acid::CHEMBL307486

SMILES: Nc1nc(N)c2nc(CCc3ccc(cc3)C(=O)NC(CC(=C)C(O)=O)C(O)=O)cnc2n1

InChI Key: InChIKey=QCLDSHDOWCMFBV-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 = 50010929   

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))	BDBM50010929 (2-{4-[2-(2,4-Diamino-pteridin-6-yl)-ethyl]-benzoyl...) Show SMILES Nc1nc(N)c2nc(CCc3ccc(cc3)C(=O)NC(CC(=C)C(O)=O)C(O)=O)cnc2n1 Show InChI InChI=1S/C21H21N7O5/c1-10(19(30)31)8-14(20(32)33)26-18(29)12-5-2-11(3-6-12)4-7-13-9-24-17-15(25-13)16(22)27-21(23)28-17/h2-3,5-6,9,14H,1,4,7-8H2,(H,26,29)(H,30,31)(H,32,33)(H4,22,23,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.80	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))	BDBM50010929 (2-{4-[2-(2,4-Diamino-pteridin-6-yl)-ethyl]-benzoyl...) Show SMILES Nc1nc(N)c2nc(CCc3ccc(cc3)C(=O)NC(CC(=C)C(O)=O)C(O)=O)cnc2n1 Show InChI InChI=1S/C21H21N7O5/c1-10(19(30)31)8-14(20(32)33)26-18(29)12-5-2-11(3-6-12)4-7-13-9-24-17-15(25-13)16(22)27-21(23)28-17/h2-3,5-6,9,14H,1,4,7-8H2,(H,26,29)(H,30,31)(H,32,33)(H4,22,23,24,27,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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