BDBM50023710 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-4-sulfo-butyric acid::CHEMBL281936

SMILES: Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCS(O)(=O)=O)C(O)=O)cnc2n1

InChI Key: InChIKey=ZLLDSRTXPHYVLX-UHFFFAOYSA-N

Data: 2 KI

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 = 50023710   

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))	BDBM50023710 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-ben...) Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCS(O)(=O)=O)C(O)=O)cnc2n1 Show InChI InChI=1S/C18H20N8O6S/c19-14-13-15(26-18(20)25-14)22-8-11(23-13)7-21-10-3-1-9(2-4-10)16(27)24-12(17(28)29)5-6-33(30,31)32/h1-4,8,12,21H,5-7H2,(H,24,27)(H,28,29)(H,30,31,32)(H4,19,20,22,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Folyl-polyglutamate synthase from mouse liver				J Med Chem 31: 1326-31 (1988) BindingDB Entry DOI: 10.7270/Q21N8049
					More data for this Ligand-Target Pair
Folylpoly-gamma-glutamate synthetase (Homo sapiens (Human))	BDBM50023710 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-ben...) Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCS(O)(=O)=O)C(O)=O)cnc2n1 Show InChI InChI=1S/C18H20N8O6S/c19-14-13-15(26-18(20)25-14)22-8-11(23-13)7-21-10-3-1-9(2-4-10)16(27)24-12(17(28)29)5-6-33(30,31)32/h1-4,8,12,21H,5-7H2,(H,24,27)(H,28,29)(H,30,31,32)(H4,19,20,22,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity to mouse liver folyl polyglutamate synthetase.				J Med Chem 27: 600-4 (1984) BindingDB Entry DOI: 10.7270/Q2PR7V0D
					More data for this Ligand-Target Pair