BindingDB PrimarySearch

BDBM18268 5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}quinazoline-2,4-diamine::CHEMBL119::TMQ::Trimetrexate::US11111252, Compound TMQ

SMILES: COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC

InChI Key: InChIKey=NOYPYLRCIDNJJB-UHFFFAOYSA-N

Data: 8 KI 128 IC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 136 hits for monomerid = 18268
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	47	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 Pneumocystis carinii Dihydrofolate reductase by 50% was determined; Range : 34-66				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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.5	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; Range : 1.3-1.7				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
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8	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 rat liver Dihydrofolate reductase by 50% was determined; Range : 7.0-9.2				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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	16	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 Toxoplasma gondii Dihydrofolate reductase by 50% was determined; Range : 8-30				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
Bifunctional dihydrofolate reductase-thymidylate synthase (Trypanosoma cruzi)	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	20.2	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
University of Alabama Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	80.9	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama Curated by ChEMBL					Assay Description Inhibition of human DHFR by spectrophotometric assay				Bioorg Med Chem 18: 4056-66 (2010) Article DOI: 10.1016/j.bmc.2010.04.020 BindingDB Entry DOI: 10.7270/Q26110GG
University of Alabama Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Tested for inhibitory concentration against human dihydrofolate reductase(DHFR)				J Med Chem 37: 2167-74 (1994) Article DOI: 10.1021/jm00040a008 BindingDB Entry DOI: 10.7270/Q2Q240W0
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Pneumocystis carinii Dihydrofolate reductase				J Med Chem 38: 745-52 (1995) Article DOI: 10.1021/jm00005a002 BindingDB Entry DOI: 10.7270/Q2JQ11PK
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against rat liver Dihydrofolate reductase				J Med Chem 38: 745-52 (1995) Article DOI: 10.1021/jm00005a002 BindingDB Entry DOI: 10.7270/Q2JQ11PK
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Toxoplasma gondii Dihydrofolate reductase				J Med Chem 38: 745-52 (1995) Article DOI: 10.1021/jm00005a002 BindingDB Entry DOI: 10.7270/Q2JQ11PK
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Toxoplasma gondii				J Med Chem 37: 4522-8 (1995) Article DOI: 10.1021/jm00052a011 BindingDB Entry DOI: 10.7270/Q2DF6RVD
Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Pneumocystis carinii				J Med Chem 37: 4522-8 (1995) Article DOI: 10.1021/jm00052a011 BindingDB Entry DOI: 10.7270/Q2DF6RVD
Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase (DHFR) of in rat liver				J Med Chem 37: 4522-8 (1995) Article DOI: 10.1021/jm00052a011 BindingDB Entry DOI: 10.7270/Q2DF6RVD
Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against recombinant Escherichia coli dihydrofolate reductase				J Med Chem 44: 1993-2003 (2001) Article DOI: 10.1021/jm0100382 BindingDB Entry DOI: 10.7270/Q2CJ8F6N
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Toxoplasma gondii dihydrofolate reductase				J Med Chem 44: 1993-2003 (2001) Article DOI: 10.1021/jm0100382 BindingDB Entry DOI: 10.7270/Q2CJ8F6N
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against human dihydrofolate reductase				J Med Chem 44: 1993-2003 (2001) Article DOI: 10.1021/jm0100382 BindingDB Entry DOI: 10.7270/Q2CJ8F6N
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Dihydrofolate reductase				J Med Chem 45: 5173-81 (2002) Article DOI: 10.1021/jm0202369 BindingDB Entry DOI: 10.7270/Q2805398
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Toxoplasma gondii (tg) Dihydrofolate reductase (DHFR)				J Med Chem 45: 5173-81 (2002) Article DOI: 10.1021/jm0202369 BindingDB Entry DOI: 10.7270/Q2805398
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli (ec) Dihydrofolate reductase				J Med Chem 45: 5173-81 (2002) Article DOI: 10.1021/jm0202369 BindingDB Entry DOI: 10.7270/Q2805398
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against pnuemocystis carinii Dihydrofolate reductase				J Med Chem 45: 5173-81 (2002) Article DOI: 10.1021/jm0202369 BindingDB Entry DOI: 10.7270/Q2805398
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human recombinant DHFR				J Med Chem 56: 4422-41 (2013) Article DOI: 10.1021/jm400086g BindingDB Entry DOI: 10.7270/Q2F47QH3
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium avium DHFR at 37 degC by spectrophotometry				Bioorg Med Chem 18: 953-61 (2010) Article DOI: 10.1016/j.bmc.2009.11.029 BindingDB Entry DOI: 10.7270/Q25B03FP
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii DHFR at 37 degC by spectrophotometry				Bioorg Med Chem 18: 953-61 (2010) Article DOI: 10.1016/j.bmc.2009.11.029 BindingDB Entry DOI: 10.7270/Q25B03FP
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of rat liver DHFR at 37 degC by spectrophotometry				Bioorg Med Chem 18: 953-61 (2010) Article DOI: 10.1016/j.bmc.2009.11.029 BindingDB Entry DOI: 10.7270/Q25B03FP
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii DHFR at 37 degC by spectrophotometry				Bioorg Med Chem 18: 953-61 (2010) Article DOI: 10.1016/j.bmc.2009.11.029 BindingDB Entry DOI: 10.7270/Q25B03FP
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii dihydrofolate reductase				J Med Chem 51: 6195-200 (2008) Article DOI: 10.1021/jm800694g BindingDB Entry DOI: 10.7270/Q2BP03PT
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of rat liver dihydrofolate reductase				J Med Chem 51: 6195-200 (2008) Article DOI: 10.1021/jm800694g BindingDB Entry DOI: 10.7270/Q2BP03PT
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii dihydrofolate reductase				J Med Chem 51: 6195-200 (2008) Article DOI: 10.1021/jm800694g BindingDB Entry DOI: 10.7270/Q2BP03PT
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of rat liver DHFR using dihydrofolic acid substrate and NADPH cofactor				J Med Chem 51: 4589-600 (2008) Article DOI: 10.1021/jm800244v BindingDB Entry DOI: 10.7270/Q2ZW1MTV
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Candida albicans)	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase in Candida albicans (in vitro).				J Med Chem 38: 3608-16 (1995) Article DOI: 10.1021/jm00018a021 BindingDB Entry DOI: 10.7270/Q2V69KS6
Burroughs Wellcome Company Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase in pneumocystis carinii.				J Med Chem 36: 3103-12 (1993) Article DOI: 10.1021/jm00073a009 BindingDB Entry DOI: 10.7270/Q23X85PX
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR assessed as reduction in consumption of NADPH using 18 uM DHFA as substrate				Bioorg Med Chem Lett 29: 1874-1880 (2019) Article DOI: 10.1016/j.bmcl.2019.06.004
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Vyera Pharmaceuticals, LLC Curated by ChEMBL					Assay Description Inhibition of human DHFR expressed in Escherichia coli BL21 competent cells using DHF as substrate preincubated for 15 mins followed by substrate and...				J Med Chem 62: 1562-1576 (2019) Article DOI: 10.1021/acs.jmedchem.8b01754
Vyera Pharmaceuticals, LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Vyera Pharmaceuticals, LLC Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii DHFR-TS expressed in Escherichia coli BL21 competent cells using DHF as substrate preincubated for 15 mins followed b...				J Med Chem 62: 1562-1576 (2019) Article DOI: 10.1021/acs.jmedchem.8b01754
Vyera Pharmaceuticals, LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis jirovecii)	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University of The Holy Spirit US Patent					Assay Description Table 7: The inhibitory activities of TMP and TMQ are listed for comparison. While the tested compounds displayed reduced potency against pjDHFR comp...				US Patent US11111252 (2021)
Duquesne University of The Holy Spirit US Patent					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University of The Holy Spirit US Patent					Assay Description Table 7: The inhibitory activities of TMP and TMQ are listed for comparison. While the tested compounds displayed reduced potency against pjDHFR comp...				US Patent US11111252 (2021)
Duquesne University of The Holy Spirit US Patent					More data for this Ligand-Target Pair

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