BDBM50272231 (S)-2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)methyl)benzamido)pentanedioic acid::CHEMBL498800

SMILES: Nc1nc2[nH]c(Cc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1

InChI Key: InChIKey=LHMUZCZEUVKRGD-ZDUSSCGKSA-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 = 50272231   

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))	BDBM50272231 ((S)-2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,...) Show SMILES Nc1nc2[nH]c(Cc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C19H19N5O6/c20-19-23-15-12(17(28)24-19)8-11(21-15)7-9-1-3-10(4-2-9)16(27)22-13(18(29)30)5-6-14(25)26/h1-4,8,13H,5-7H2,(H,22,27)(H,25,26)(H,29,30)(H4,20,21,23,24,28)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	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 [14C]glycine incorporation into [14C]formylGAR in presence of azaserine				J Med Chem 51: 5052-63 (2008) Article DOI: 10.1021/jm8003366 BindingDB Entry DOI: 10.7270/Q24F1RNB
					More data for this Ligand-Target Pair
GAR transformylase (Mus musculus)	BDBM50272231 ((S)-2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,...) Show SMILES Nc1nc2[nH]c(Cc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C19H19N5O6/c20-19-23-15-12(17(28)24-19)8-11(21-15)7-9-1-3-10(4-2-9)16(27)22-13(18(29)30)5-6-14(25)26/h1-4,8,13H,5-7H2,(H,22,27)(H,25,26)(H,29,30)(H4,20,21,23,24,28)/t13-/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 51: 5052-63 (2008) Article DOI: 10.1021/jm8003366 BindingDB Entry DOI: 10.7270/Q24F1RNB
					More data for this Ligand-Target Pair