BDBM50496771 CHEMBL3220831
SMILES: Nc1ccn([C@@H]2O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
InChI Key: InChIKey=DDFQRTUJAASDBA-ZOQUXTDFSA-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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Ecto-5'-nucleotidase (e5'NT) (Rattus norvegicus (Rat)) | BDBM50496771 (CHEMBL3220831) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 898 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs... | J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase (IspF) (Escherichia coli (strain K12)) | BDBM50496771 (CHEMBL3220831) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.43E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine Curated by ChEMBL | Assay Description Inhibition of Escherichia coli IspF-MEP complex by HPLC based cAMP formation assay | Medchemcomm 4: 130-134 (2013) Article DOI: 10.1039/c2md20175e BindingDB Entry DOI: 10.7270/Q2WQ06R8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase (IspF) (Escherichia coli (strain K12)) | BDBM50496771 (CHEMBL3220831) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 7.97E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine Curated by ChEMBL | Assay Description Inhibition of Escherichia coli IspF by HPLC based cAMP formation assay | Medchemcomm 4: 130-134 (2013) Article DOI: 10.1039/c2md20175e BindingDB Entry DOI: 10.7270/Q2WQ06R8 | |||||||||||
More data for this Ligand-Target Pair |