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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 = 'BDBM50097551'   
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)		BDBM50097551
PNG
(CHEMBL3125420)
Show SMILES [H][C@@]12C[C@@H](O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]13[C@H](C[C@@H](C)[C@@]2(C)CCC(=C)C=C)OC(=O)\C=C\c1ccccc1 |r,t:5|
Show InChI InChI=1S/C23H21N3O3/c1-3-29-19-11-9-17(10-12-19)18-13-20-21(24-14-18)25(2)23(28)26(22(20)27)15-16-7-5-4-6-8-16/h4-14H,3,15H2,1-2H3
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KEGG

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KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 4.81E+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