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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sarcoplasmic/endoplasmic reticulum calcium ATPase 1' and Ligand = 'BDBM50097553'   
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)		BDBM50097553
PNG
(CHEMBL3586096)
Show SMILES [H][C@@]12C[C@@H](OC(=O)c3ccc(O)cc3)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]13[C@H](C[C@@H](C)[C@@]2(C)C\C=C(/C)C=C)OC(C)=O |r,t:15|
Show InChI InChI=1S/C22H19N3O3/c1-24-20-19(12-17(13-23-20)15-28-18-10-6-3-7-11-18)21(26)25(22(24)27)14-16-8-4-2-5-9-16/h2-13H,14-15H2,1H3
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KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 2.01E+4n/an/an/an/an/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