BDBM50027422 1N-{4-[9-(3,4-dihydroxy-5-hydroxymethyltetrahydro-2-furanyl)-9H-6-purinyl(methyl)amino]butyl}-1N-methylacetamide 5'-Triphosphate::CHEMBL2367949
SMILES: CN(CCCCN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(C)=O
InChI Key: InChIKey=FKQARPLKTZKOJT-SCFUHWHPSA-N
Data: 2 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Adenylate kinase 3 alpha like 1 (Rattus norvegicus) | BDBM50027422 (1N-{4-[9-(3,4-dihydroxy-5-hydroxymethyltetrahydro-...) | PDB MMDB KEGG B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 9.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Competitive inhibition of adenylate kinase II in rat liver with respect to ATP | J Med Chem 25: 373-81 (1982) BindingDB Entry DOI: 10.7270/Q28P5ZH6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenylate kinase 2 (Rattus norvegicus) | BDBM50027422 (1N-{4-[9-(3,4-dihydroxy-5-hydroxymethyltetrahydro-...) | PDB KEGG DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 1.10E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Competitive inhibition of adenylate kinase III in rat liver with respect to ATP | J Med Chem 25: 373-81 (1982) BindingDB Entry DOI: 10.7270/Q28P5ZH6 | |||||||||||
More data for this Ligand-Target Pair |