BDBM50249954 CHEMBL491298::N-{4-[6-(2-Amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)-hexyl]benzoyl}-L-glutamic Acid

SMILES: Nc1nc2sc(CCCCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1

InChI Key: InChIKey=SDRLYZWSSWDGRX-SFHVURJKSA-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 = 50249954   

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
Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human))	BDBM50249954 (CHEMBL491298 | N-{4-[6-(2-Amino-4-oxo-3,4-dihydrot...) Show SMILES Nc1nc2sc(CCCCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C24H28N4O6S/c25-24-27-21(32)17-13-16(35-22(17)28-24)6-4-2-1-3-5-14-7-9-15(10-8-14)20(31)26-18(23(33)34)11-12-19(29)30/h7-10,13,18H,1-6,11-12H2,(H,26,31)(H,29,30)(H,33,34)(H3,25,27,28,32)/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University School of Medicine Curated by ChEMBL					Assay Description Inhibition of GARFTase in human KB cells assessed as inhibition of incorporation of [14C]glycine into [14C]formyl GAR after 30 mins in presence of az...				J Med Chem 52: 2940-51 (2009) Article DOI: 10.1021/jm8011323 BindingDB Entry DOI: 10.7270/Q2NG4QH8
					More data for this Ligand-Target Pair
GAR transformylase (Mus musculus)	BDBM50249954 (CHEMBL491298 | N-{4-[6-(2-Amino-4-oxo-3,4-dihydrot...) Show SMILES Nc1nc2sc(CCCCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C24H28N4O6S/c25-24-27-21(32)17-13-16(35-22(17)28-24)6-4-2-1-3-5-14-7-9-15(10-8-14)20(31)26-18(23(33)34)11-12-19(29)30/h7-10,13,18H,1-6,11-12H2,(H,26,31)(H,29,30)(H,33,34)(H3,25,27,28,32)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse recombinant GARFTase				J Med Chem 52: 2940-51 (2009) Article DOI: 10.1021/jm8011323 BindingDB Entry DOI: 10.7270/Q2NG4QH8
					More data for this Ligand-Target Pair