BindingDB PrimarySearch

BDBM24692 2-({4-[4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)butyl]phenyl}formamido)pentanedioic acid::DDACTHF

SMILES: Nc1nc(N)c(CCCCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1

InChI Key: InChIKey=LNUHUIPUTGDPDG-UHFFFAOYSA-N

Data: 4 KI

PDB links: 5 PDB IDs contain this monomer as substructures. 5 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 24692
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human))	BDBM24692 (2-({4-[4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	-7.89	n/a	n/a	n/a	n/a	n/a	7.5	26
The Scripps Research Institute					Assay Description Assays were initiated by the addition of GAR to the reaction mixture containing GAR Tfase, test compounds, and cofactor. The assay monitors the defor...				J Med Chem 51: 5441-8 (2008) Article DOI: 10.1021/jm800555h BindingDB Entry DOI: 10.7270/Q2WD3XVB
The Scripps Research Institute					More data for this Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human))	BDBM24692 (2-({4-[4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description Enzyme activity assays of recombinant hGAR Tfase and recombinant hAICAR Tfase were performed as previously described. Kinetics of the enzyme reaction...				Biochemistry 52: 5133-44 (2013) Article DOI: 10.1021/bi4005182 BindingDB Entry DOI: 10.7270/Q2K93669
The Scripps Research Institute					More data for this Ligand-Target Pair
AICAR transformylase (Homo sapiens (Human))	BDBM24692 (2-({4-[4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description Enzyme activity assays of recombinant hGAR Tfase and recombinant hAICAR Tfase were performed as previously described. Kinetics of the enzyme reaction...				Biochemistry 52: 5133-44 (2013) Article DOI: 10.1021/bi4005182 BindingDB Entry DOI: 10.7270/Q2K93669
The Scripps Research Institute					More data for this Ligand-Target Pair
AICAR Tfase (Homo sapiens (Human))	BDBM24692 (2-({4-[4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	-6.43	n/a	n/a	n/a	n/a	n/a	7.4	26
The Scripps Research Institute					Assay Description Recombinant human AICAR Tfase was used in the inhibition assay. The reaction was monitored at 298 nm by measuring the increase in absorbance correspo...				J Med Chem 51: 5441-8 (2008) Article DOI: 10.1021/jm800555h BindingDB Entry DOI: 10.7270/Q2WD3XVB
The Scripps Research Institute					More data for this Ligand-Target Pair