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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sarcoplasmic/endoplasmic reticulum calcium ATPase 1' and Ligand = 'BDBM25524'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1


(Oryctolagus cuniculus)
BDBM25524
PNG
(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Show SMILES COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC
Show InChI InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1
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KEGG
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PC cid
PC sid
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Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



University of Chemistry and Technology Prague

Curated by ChEMBL


Assay Description
Inhibition of rabbit skeletal muscle microsomes SERCA1a incubated for 10 mins by enzyme-coupled method


J Med Chem 63: 1937-1963 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01509
BindingDB Entry DOI: 10.7270/Q29G5R8T
More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1


(Homo sapiens (Human))
BDBM25524
PNG
(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Show SMILES COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC
Show InChI InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1
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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



University of Chemistry and Technology Prague

Curated by ChEMBL


Assay Description
Inhibition of SERCA1a (unknown origin) incubated for 10 mins by enzyme-coupled method


J Med Chem 63: 1937-1963 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01509
BindingDB Entry DOI: 10.7270/Q29G5R8T
More data for this
Ligand-Target Pair