BindingDB PrimarySearch

BDBM18510 5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenoxy}pentanoic acid::CHEMBL37520::Diaminopyrimidine, 22

SMILES: COc1ccc(OCCCCC(O)=O)cc1Cc1cnc(N)nc1N

InChI Key: InChIKey=ALDCXILJAYAUTH-UHFFFAOYSA-N

Data: 13 IC50

PDB links: 5 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 18510
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) (Bacillus cereus (ATCC 14579))	BDBM18510 (5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy...) Show SMILES COc1ccc(OCCCCC(O)=O)cc1Cc1cnc(N)nc1N Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.37E+4	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))	BDBM18510 (5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy...) Show SMILES COc1ccc(OCCCCC(O)=O)cc1Cc1cnc(N)nc1N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of partially purified dihydrofolate reductase (DHFR) from rat liver				J Med Chem 45: 233-41 (2001) BindingDB Entry DOI: 10.7270/Q2SX6CJ2
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Toxoplasma gondii)	BDBM18510 (5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy...) Show SMILES COc1ccc(OCCCCC(O)=O)cc1Cc1cnc(N)nc1N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of partially purified dihydrofolate reductase (DHFR) from Toxoplasma gondii (Tg)				J Med Chem 45: 233-41 (2001) BindingDB Entry DOI: 10.7270/Q2SX6CJ2
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18510 (5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy...) Show SMILES COc1ccc(OCCCCC(O)=O)cc1Cc1cnc(N)nc1N Show InChI	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description In vitro inhibition of Pneumocystis carinii (Pc) dihydrofolate reductase.				J Med Chem 45: 233-41 (2001) BindingDB Entry DOI: 10.7270/Q2SX6CJ2
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM18510 (5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy...) Show SMILES COc1ccc(OCCCCC(O)=O)cc1Cc1cnc(N)nc1N Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of partially purified dihydrofolate reductase (DHFR) from Mycobacterium avium (Ma)				J Med Chem 45: 233-41 (2001) BindingDB Entry DOI: 10.7270/Q2SX6CJ2
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM18510 (5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy...) Show SMILES COc1ccc(OCCCCC(O)=O)cc1Cc1cnc(N)nc1N Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrohydrofolate reductase(DHFR) of Toxoplasma gondii				J Med Chem 46: 1726-36 (2003) Article DOI: 10.1021/jm020466n BindingDB Entry DOI: 10.7270/Q2CR5SRW
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18510 (5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy...) Show SMILES COc1ccc(OCCCCC(O)=O)cc1Cc1cnc(N)nc1N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Concentration required to inhibit the Mycobacterium avium Dihydrofolate reductase by 50% was determined				J Med Chem 47: 2475-85 (2004) Article DOI: 10.1021/jm030599o BindingDB Entry DOI: 10.7270/Q2K64HHD
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mycobacterium avium)	BDBM18510 (5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy...) Show SMILES COc1ccc(OCCCCC(O)=O)cc1Cc1cnc(N)nc1N Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Dihydrohydrofolate reductase(DHFR) of Mycobacterium avium				J Med Chem 46: 1726-36 (2003) Article DOI: 10.1021/jm020466n BindingDB Entry DOI: 10.7270/Q2CR5SRW
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18510 (5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy...) Show SMILES COc1ccc(OCCCCC(O)=O)cc1Cc1cnc(N)nc1N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition Dihydrohydrofolate reductase(DHFR) of rat liver				J Med Chem 46: 1726-36 (2003) Article DOI: 10.1021/jm020466n BindingDB Entry DOI: 10.7270/Q2CR5SRW
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18510 (5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy...) Show SMILES COc1ccc(OCCCCC(O)=O)cc1Cc1cnc(N)nc1N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory concentration against dihdrofolate reductace enzyme of Cryptosporidium parvum of bovine origin				J Med Chem 47: 1475-86 (2004) Article DOI: 10.1021/jm030438k BindingDB Entry DOI: 10.7270/Q2SJ1K14
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18510 (5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy...) Show SMILES COc1ccc(OCCCCC(O)=O)cc1Cc1cnc(N)nc1N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory concentration against dihdrofolate reductace enzyme of humans				J Med Chem 47: 1475-86 (2004) Article DOI: 10.1021/jm030438k BindingDB Entry DOI: 10.7270/Q2SJ1K14
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18510 (5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy...) Show SMILES COc1ccc(OCCCCC(O)=O)cc1Cc1cnc(N)nc1N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory concentration against dihdrofolate reductace enzyme of Cryptosporidium parvum of human origin				J Med Chem 47: 1475-86 (2004) Article DOI: 10.1021/jm030438k BindingDB Entry DOI: 10.7270/Q2SJ1K14
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii)	BDBM18510 (5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy...) Show SMILES COc1ccc(OCCCCC(O)=O)cc1Cc1cnc(N)nc1N Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Dihydrohydrofolate reductase(DHFR) of Pneumocystis carinii				J Med Chem 46: 1726-36 (2003) Article DOI: 10.1021/jm020466n BindingDB Entry DOI: 10.7270/Q2CR5SRW
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)