BDBM50041935 5,6,7,8,9,10-Hexahydro-11-thia-1,3-diaza-cycloocta[a]indene-2,4-diamine::CHEMBL108006
SMILES: Nc1nc(N)c2c3CCCCCCc3sc2n1
InChI Key: InChIKey=NZUZCIKDNIBNIL-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 (Rattus norvegicus (rat)) | BDBM50041935![]() (5,6,7,8,9,10-Hexahydro-11-thia-1,3-diaza-cycloocta...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of rat liver dihydrofolate reductase. | J Med Chem 36: 3103-12 (1993) BindingDB Entry DOI: 10.7270/Q23X85PX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Lactobacillus casei) | BDBM50041935![]() (5,6,7,8,9,10-Hexahydro-11-thia-1,3-diaza-cycloocta...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.50E+4 | 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) BindingDB Entry DOI: 10.7270/Q23X85PX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase (DHFR) (Escherichia coli) | BDBM50041935![]() (5,6,7,8,9,10-Hexahydro-11-thia-1,3-diaza-cycloocta...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6.50E+3 | 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) BindingDB Entry DOI: 10.7270/Q23X85PX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Lactobacillus casei) | BDBM50041935![]() (5,6,7,8,9,10-Hexahydro-11-thia-1,3-diaza-cycloocta...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Tested for inhibitory activity against dihydrofolate reductase in Beef liver | J Med Chem 36: 3103-12 (1993) BindingDB Entry DOI: 10.7270/Q23X85PX | |||||||||||
More data for this Ligand-Target Pair |