BDBM50128538 5-[7-Methoxy-4-(3-nitro-phenyl)-3,4-dihydro-1H-isoquinolin-2-ylmethyl]-pyrimidine-2,4-diamine::CHEMBL78104
SMILES: COc1ccc2C(CN(Cc3cnc(N)nc3N)Cc2c1)c1cccc(c1)[N+]([O-])=O
InChI Key: InChIKey=SZNFKQXJHREVCC-UHFFFAOYSA-N
Data: 4 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 (Homo sapiens (Human)) | BDBM50128538 (5-[7-Methoxy-4-(3-nitro-phenyl)-3,4-dihydro-1H-iso...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Inhibitory activity against TMP-susceptible Dihydrofolate reductase from Staphylococcus pneumoniae ATCC 49619 | J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50128538 (5-[7-Methoxy-4-(3-nitro-phenyl)-3,4-dihydro-1H-iso...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Antibacterial activity against TMP-Resistance Dihydrofolate reductase from Staphylococcus pneumoniae 1/1 | J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Staphylococcus aureus (strain MW2)) | BDBM50128538 (5-[7-Methoxy-4-(3-nitro-phenyl)-3,4-dihydro-1H-iso...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Inhibitory activity against TMP-Resistance Dihydrofolate reductase from Staphylococcus aureus 157/4696 | J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50128538 (5-[7-Methoxy-4-(3-nitro-phenyl)-3,4-dihydro-1H-iso...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Antibacterial activity of TMP-susceptible Dihydrofolate reductase against Staphylococcus pneumoniae ATCC 49619 | J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV | |||||||||||
More data for this Ligand-Target Pair |