BDBM50081908 5-(3-Methoxy-benzyl)-pyrimidine-2,4-diamine::CHEMBL18967
SMILES: COc1cccc(Cc2cnc(N)nc2N)c1
InChI Key: InChIKey=VJSZGADWCZOKOK-UHFFFAOYSA-N
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 (Homo sapiens (Human)) | BDBM50081908 (5-(3-Methoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University Curated by ChEMBL | Assay Description Inhibition of recombinant Dihydrofolate reductase from humans. | J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Escherichia coli) | BDBM50081908 (5-(3-Methoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli (expressed as log 1/Kiapp) | J Med Chem 25: 777-84 (1982) BindingDB Entry DOI: 10.7270/Q2WH2S6T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Escherichia coli) | BDBM50081908 (5-(3-Methoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound is evaluated for the inhibition of dihydrofolate reductase from Escherichia coli | J Med Chem 24: 538-44 (1981) BindingDB Entry DOI: 10.7270/Q2GF0WQM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Salmonella enterica subsp. enterica serovar Typhi) | BDBM50081908 (5-(3-Methoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College Curated by ChEMBL | Assay Description Inhibitory activity against Escherichia coli dihydrofolate reductase | J Med Chem 34: 46-54 (1991) BindingDB Entry DOI: 10.7270/Q2X92CH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Escherichia coli) | BDBM50081908 (5-(3-Methoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Medical University Curated by ChEMBL | Assay Description Apparent inhibitory (log 1/Ki) activity against Escherichia coli dihydrofolate reductase | J Med Chem 31: 366-70 (1988) BindingDB Entry DOI: 10.7270/Q2BV7JTC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Escherichia coli) | BDBM50081908 (5-(3-Methoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uniroyal Chemical Co., Inc. Curated by ChEMBL | Assay Description Inhibition constant against binding of Escherichia coli dihydrofolate reductase | J Med Chem 31: 1396-406 (1988) BindingDB Entry DOI: 10.7270/Q2P55QQJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50081908 (5-(3-Methoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University Curated by ChEMBL | Assay Description Inhibition of recombinant Dihydrofolate reductase from Leishmania major. | J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50081908 (5-(3-Methoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University Curated by ChEMBL | Assay Description Inhibition of recombinant Dihydrofolate reductase from Trypanosoma cruzi. | J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Lactobacillus casei) | BDBM50081908 (5-(3-Methoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from Lactobacillus casei (expressed as log 1/Kiapp) | J Med Chem 25: 777-84 (1982) BindingDB Entry DOI: 10.7270/Q2WH2S6T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Lactobacillus casei) | BDBM50081908 (5-(3-Methoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College Curated by ChEMBL | Assay Description Inhibitory activity against Lactobacillus casei dihydrofolate reductase | J Med Chem 32: 1895-905 (1989) BindingDB Entry DOI: 10.7270/Q2QR4ZB9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50081908 (5-(3-Methoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University Curated by ChEMBL | Assay Description Inhibition of recombinant Dihydrofolate reductase from humans. | J Med Chem 42: 4300-12 (1999) BindingDB Entry DOI: 10.7270/Q21R6PQG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Bos taurus (Cattle)) | BDBM50081908 (5-(3-Methoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.2 | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against bovine liver dihydrofolate reductase at pH 7.2. | J Med Chem 25: 435-40 (1982) BindingDB Entry DOI: 10.7270/Q2DF6TDD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Bos taurus (Cattle)) | BDBM50081908 (5-(3-Methoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.2 | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against bovine liver dihydrofolate reductase at pH 7.2. | J Med Chem 25: 435-40 (1982) BindingDB Entry DOI: 10.7270/Q2DF6TDD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Bos taurus (Cattle)) | BDBM50081908 (5-(3-Methoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 9.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of dihydrofolate reductase from bovine liver | J Med Chem 24: 538-44 (1981) BindingDB Entry DOI: 10.7270/Q2GF0WQM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Gallus gallus (Chicken)) | BDBM50081908 (5-(3-Methoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 3.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.2 | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Wnt2/beta-catenin signaling in human A549 cells assessed as inhibition of cell proliferation after 48 hrs by MTT assay | J Med Chem 25: 435-40 (1982) BindingDB Entry DOI: 10.7270/Q2DF6TDD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Gallus gallus (Chicken)) | BDBM50081908 (5-(3-Methoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 3.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College Curated by ChEMBL | Assay Description Inhibitory activity against chicken liver dihydrofolate reductase | J Med Chem 32: 1895-905 (1989) BindingDB Entry DOI: 10.7270/Q2QR4ZB9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Gallus gallus (Chicken)) | BDBM50081908 (5-(3-Methoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 3.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.2 | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against chicken dihydrofolate reductase at pH 7.2. | J Med Chem 25: 435-40 (1982) BindingDB Entry DOI: 10.7270/Q2DF6TDD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Escherichia coli) | BDBM50081908 (5-(3-Methoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago 60612 Curated by ChEMBL | Assay Description Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase. | J Med Chem 39: 4825-32 (1996) Article DOI: 10.1021/jm960491r BindingDB Entry DOI: 10.7270/Q2668GXG | |||||||||||
More data for this Ligand-Target Pair |