BDBM18241 6-{[2-(benzyloxy)-5-methoxyphenyl]methyl}-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine::Piritrexim analogue,38

SMILES: COc1ccc(OCc2ccccc2)c(Cc2cnc3nc(N)nc(N)c3c2C)c1

InChI Key: InChIKey=DSEIBQNRLLYRRC-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 18241   

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
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii)	BDBM18241 (6-{[2-(benzyloxy)-5-methoxyphenyl]methyl}-5-methyl...) Show SMILES COc1ccc(OCc2ccccc2)c(Cc2cnc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C23H23N5O2/c1-14-17(12-26-22-20(14)21(24)27-23(25)28-22)10-16-11-18(29-2)8-9-19(16)30-13-15-6-4-3-5-7-15/h3-9,11-12H,10,13H2,1-2H3,(H4,24,25,26,27,28)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	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
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18241 (6-{[2-(benzyloxy)-5-methoxyphenyl]methyl}-5-methyl...) Show SMILES COc1ccc(OCc2ccccc2)c(Cc2cnc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C23H23N5O2/c1-14-17(12-26-22-20(14)21(24)27-23(25)28-22)10-16-11-18(29-2)8-9-19(16)30-13-15-6-4-3-5-7-15/h3-9,11-12H,10,13H2,1-2H3,(H4,24,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	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
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM18241 (6-{[2-(benzyloxy)-5-methoxyphenyl]methyl}-5-methyl...) Show SMILES COc1ccc(OCc2ccccc2)c(Cc2cnc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C23H23N5O2/c1-14-17(12-26-22-20(14)21(24)27-23(25)28-22)10-16-11-18(29-2)8-9-19(16)30-13-15-6-4-3-5-7-15/h3-9,11-12H,10,13H2,1-2H3,(H4,24,25,26,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	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
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM18241 (6-{[2-(benzyloxy)-5-methoxyphenyl]methyl}-5-methyl...) Show SMILES COc1ccc(OCc2ccccc2)c(Cc2cnc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C23H23N5O2/c1-14-17(12-26-22-20(14)21(24)27-23(25)28-22)10-16-11-18(29-2)8-9-19(16)30-13-15-6-4-3-5-7-15/h3-9,11-12H,10,13H2,1-2H3,(H4,24,25,26,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	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
					More data for this Ligand-Target Pair