BindingDB PrimarySearch

BDBM18238 2,4-diamino-5-deazapteridine, 7::Piritrexim analogue,30::ethyl 4-[3-({2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl}methyl)-4-methoxyphenoxy]butanoate

SMILES: CCOC(=O)CCCOc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1

InChI Key: InChIKey=OJXNTDHQQMJPKJ-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 18238
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
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii)	BDBM18238 (2,4-diamino-5-deazapteridine, 7 \| Piritrexim analo...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	7.4	37
Harvard Medical School					Assay Description Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...				J Med Chem 48: 4420-31 (2005) Article DOI: 10.1021/jm0581718 BindingDB Entry DOI: 10.7270/Q2W0946F
Harvard Medical School					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM18238 (2,4-diamino-5-deazapteridine, 7 \| Piritrexim analo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...				J Med Chem 48: 4420-31 (2005) Article DOI: 10.1021/jm0581718 BindingDB Entry DOI: 10.7270/Q2W0946F
Harvard Medical School					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Bacillus cereus (ATCC 14579))	BDBM18238 (2,4-diamino-5-deazapteridine, 7 \| Piritrexim analo...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	7.0	25
University of Connecticut at Storrs					Assay Description Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...				Antimicrob Agents Chemother 50: 3435-43 (2006) Article DOI: 10.1128/AAC.00386-06 BindingDB Entry DOI: 10.7270/Q2FQ9TVF
University of Connecticut at Storrs					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18238 (2,4-diamino-5-deazapteridine, 7 \| Piritrexim analo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...				J Med Chem 48: 4420-31 (2005) Article DOI: 10.1021/jm0581718 BindingDB Entry DOI: 10.7270/Q2W0946F
Harvard Medical School					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM18238 (2,4-diamino-5-deazapteridine, 7 \| Piritrexim analo...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...				J Med Chem 48: 4420-31 (2005) Article DOI: 10.1021/jm0581718 BindingDB Entry DOI: 10.7270/Q2W0946F
Harvard Medical School					More data for this Ligand-Target Pair