BDBM77567 5-(4-Butoxy-benzyl)-pyrimidine-2,4-diamine::5-[(4-butoxyphenyl)methyl]pyrimidine-2,4-diamine::MLS001049199::SMR000427733::[2-amino-5-(4-butoxybenzyl)pyrimidin-4-yl]amine::cid_623352
SMILES: CCCCOc1ccc(Cc2cnc(N)nc2N)cc1
InChI Key: InChIKey=OHYPUALOABANKC-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 |
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Dihydrofolate reductase (Escherichia coli) | BDBM77567![]() (5-(4-Butoxy-benzyl)-pyrimidine-2,4-diamine | 5-[(4...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PubMed | 128 | 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 (Escherichia coli) | BDBM77567![]() (5-(4-Butoxy-benzyl)-pyrimidine-2,4-diamine | 5-[(4...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PubMed | 129 | 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 (Salmonella enterica subsp. enterica serovar Typhi) | BDBM77567![]() (5-(4-Butoxy-benzyl)-pyrimidine-2,4-diamine | 5-[(4...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PubMed | 129 | 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) | BDBM77567![]() (5-(4-Butoxy-benzyl)-pyrimidine-2,4-diamine | 5-[(4...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PubMed | 129 | 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) | BDBM77567![]() (5-(4-Butoxy-benzyl)-pyrimidine-2,4-diamine | 5-[(4...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PubMed | 129 | 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 (Lactobacillus casei) | BDBM77567![]() (5-(4-Butoxy-benzyl)-pyrimidine-2,4-diamine | 5-[(4...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PubMed | 427 | 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) | BDBM77567![]() (5-(4-Butoxy-benzyl)-pyrimidine-2,4-diamine | 5-[(4...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PubMed | 427 | 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 (Bos taurus (Cattle)) | BDBM77567![]() (5-(4-Butoxy-benzyl)-pyrimidine-2,4-diamine | 5-[(4...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PubMed | 1.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.2 | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells | 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)) | BDBM77567![]() (5-(4-Butoxy-benzyl)-pyrimidine-2,4-diamine | 5-[(4...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PubMed | 1.82E+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 (Bos taurus (Cattle)) | BDBM77567![]() (5-(4-Butoxy-benzyl)-pyrimidine-2,4-diamine | 5-[(4...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PubMed | 1.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.2 | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells | 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)) | BDBM77567![]() (5-(4-Butoxy-benzyl)-pyrimidine-2,4-diamine | 5-[(4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PubMed | 2.14E+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 (Gallus gallus (Chicken)) | BDBM77567![]() (5-(4-Butoxy-benzyl)-pyrimidine-2,4-diamine | 5-[(4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PubMed | 2.14E+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)) | BDBM77567![]() (5-(4-Butoxy-benzyl)-pyrimidine-2,4-diamine | 5-[(4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PubMed | 2.14E+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 | |||||||||||||
exonuclease V (RecBCD complex), alpha chain (Escherichia coli str. K-12 substr. MG1655) | BDBM77567![]() (5-(4-Butoxy-benzyl)-pyrimidine-2,4-diamine | 5-[(4...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.14E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2TB15CW | |||||||||||
More data for this Ligand-Target Pair |