BDBM50016658 2-{4-[3-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pteridin-6-yl)-propyl]-benzoylamino}-pentanedioic acid::CHEMBL279302

SMILES: Nc1nc2NCC(CCCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1

InChI Key: InChIKey=SWTBYGDYFNKVAR-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50016658   

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
GAR transformylase (Mus musculus)	BDBM50016658 (2-{4-[3-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pteri...) Show SMILES Nc1nc2NCC(CCCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1 Show InChI InChI=1S/C21H26N6O6/c22-21-26-17-16(19(31)27-21)24-13(10-23-17)3-1-2-11-4-6-12(7-5-11)18(30)25-14(20(32)33)8-9-15(28)29/h4-7,13-14,24H,1-3,8-10H2,(H,25,30)(H,28,29)(H,32,33)(H4,22,23,26,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of South Alabama Curated by ChEMBL					Assay Description Inhibition of the GAR transformylase in L1210				J Med Chem 32: 1277-83 (1989) BindingDB Entry DOI: 10.7270/Q20K27J9
					More data for this Ligand-Target Pair
Thymidylate synthase/GAR transformylase/AICAR transformylase (Homo sapiens (Human))	BDBM50016658 (2-{4-[3-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pteri...) Show SMILES Nc1nc2NCC(CCCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1 Show InChI InChI=1S/C21H26N6O6/c22-21-26-17-16(19(31)27-21)24-13(10-23-17)3-1-2-11-4-6-12(7-5-11)18(30)25-14(20(32)33)8-9-15(28)29/h4-7,13-14,24H,1-3,8-10H2,(H,25,30)(H,28,29)(H,32,33)(H4,22,23,26,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of South Alabama Curated by ChEMBL					Assay Description Inhibition of the GAR transformylase in lactobacillus casei				J Med Chem 32: 1277-83 (1989) BindingDB Entry DOI: 10.7270/Q20K27J9
					More data for this Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human))	BDBM50016658 (2-{4-[3-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pteri...) Show SMILES Nc1nc2NCC(CCCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1 Show InChI InChI=1S/C21H26N6O6/c22-21-26-17-16(19(31)27-21)24-13(10-23-17)3-1-2-11-4-6-12(7-5-11)18(30)25-14(20(32)33)8-9-15(28)29/h4-7,13-14,24H,1-3,8-10H2,(H,25,30)(H,28,29)(H,32,33)(H4,22,23,26,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of South Alabama Curated by ChEMBL					Assay Description Inhibition of the GAR transformylase in MOLT-4 human leukemia cells				J Med Chem 32: 1277-83 (1989) BindingDB Entry DOI: 10.7270/Q20K27J9
					More data for this Ligand-Target Pair