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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (960/993 = 97%)† (Homo sapiens (Human)) | BDBM50035612 (CHEMBL96926 | OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of SERCA1a (unknown origin) ATPase activity | Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.050 BindingDB Entry DOI: 10.7270/Q2KD21HX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (993/993 = 100%)† (Oryctolagus cuniculus) | BDBM50035612 (CHEMBL96926 | OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen Curated by ChEMBL | Assay Description Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay | Bioorg Med Chem 18: 5634-46 (2010) Article DOI: 10.1016/j.bmc.2010.06.032 BindingDB Entry DOI: 10.7270/Q2RB74VD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (993/993 = 100%)† (Oryctolagus cuniculus) | BDBM50035612 (CHEMBL96926 | OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen Curated by ChEMBL | Assay Description Binding affinity to SERCA1a in sarcoplasmic reticulum vesicles of rabbit skeletal muscle after 2.5 to 6 mins by spectrophotometric analysis | J Med Chem 56: 3609-19 (2013) Article DOI: 10.1021/jm4001083 BindingDB Entry DOI: 10.7270/Q20V8F4F | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (993/993 = 100%)† (Oryctolagus cuniculus) | BDBM50035612 (CHEMBL96926 | OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a |
Albert Ludwigs University Freiburg Curated by ChEMBL | Assay Description Binding affinity to rabbit skeletal muscle SERCA1a preincubated for 5 mins followed by Mg-ATP addition measured over 6 mins by spectrophotometric ana... | J Nat Prod 78: 1262-70 (2015) Article DOI: 10.1021/acs.jnatprod.5b00062 BindingDB Entry DOI: 10.7270/Q2833TR2 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |