BDBM18257 5-ethyl-6-(phenylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine::Pyrrolo[2, 3-d]pyrimidine analogue, 15
SMILES: CCc1c(Sc2ccccc2)[nH]c2nc(N)nc(N)c12
InChI Key: InChIKey=RXOBRUQVLQRTDA-UHFFFAOYSA-N
Data: 7 IC50
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) (Escherichia coli) | BDBM18257 (5-ethyl-6-(phenylsulfanyl)-7H-pyrrolo[2,3-d]pyrimi...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 170 | n/a | n/a | n/a | n/a | 7.4 | 30 |
Duquesne University | Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer. | J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM18257 (5-ethyl-6-(phenylsulfanyl)-7H-pyrrolo[2,3-d]pyrimi...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University | Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer. | J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii) | BDBM18257 (5-ethyl-6-(phenylsulfanyl)-7H-pyrrolo[2,3-d]pyrimi...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University | Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer. | J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Rattus norvegicus (rat)) | BDBM18257 (5-ethyl-6-(phenylsulfanyl)-7H-pyrrolo[2,3-d]pyrimi...) | 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 | 5.60E+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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Mycobacterium avium) | BDBM18257 (5-ethyl-6-(phenylsulfanyl)-7H-pyrrolo[2,3-d]pyrimi...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University | Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer. | J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Rattus norvegicus (rat)) | BDBM18257 (5-ethyl-6-(phenylsulfanyl)-7H-pyrrolo[2,3-d]pyrimi...) | 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 | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University | Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer. | J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (DHFR) (Toxoplasma gondii) | BDBM18257 (5-ethyl-6-(phenylsulfanyl)-7H-pyrrolo[2,3-d]pyrimi...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University | Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer. | J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5 | |||||||||||
More data for this Ligand-Target Pair |