BDBM50255111 CHEMBL4092961
SMILES: [H][C@@]12C[C@@H](C[C@@]3(O)CC[C@]4([H])[C@]([H])([C@@H](C[C@]5(C)[C@@H](CO)CC[C@]45OCOC)OCOC)[C@@]13COC(C)(C)O2)OCOC
InChI Key: InChIKey=ACNIYNHBRNZKRY-QCUZJPGCSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Na+/K+ ATPase alpha-2/beta-1 (Rattus norvegicus) | BDBM50255111 (CHEMBL4092961) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL | Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha2/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat... | J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
N+/K+ ATPase alpha-4/beta-1 (Rattus norvegicus) | BDBM50255111 (CHEMBL4092961) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL | Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat... | J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Na+/K+ ATPase alpha-1/beta-1 (RAT-Rattus norvegicus) | BDBM50255111 (CHEMBL4092961) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL | Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha1/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat... | J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Na+/K+ ATPase alpha-3/beta-1 (Rattus norvegicus) | BDBM50255111 (CHEMBL4092961) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL | Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha3/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat... | J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH | |||||||||||
More data for this Ligand-Target Pair |