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BDBM50097555 CHEMBL3586095

SMILES: [H][C@@]12C[C@@H](OC)C=C3[C@@H](OC(=O)CCC)O[C@@H](OC(C)=O)[C@@]13[C@@H](O)[C@H](OC(=O)CCC)[C@@H](C)[C@@]2(C)C\C=C(/C)C=C

InChI Key: InChIKey=BMGRMMKTFFEGTJ-UHFFFAOYSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50097555   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)		BDBM50097555
PNG
(CHEMBL3586095)
Show SMILES [H][C@@]12C[C@@H](OC)C=C3[C@@H](OC(=O)CCC)O[C@@H](OC(C)=O)[C@@]13[C@@H](O)[C@H](OC(=O)CCC)[C@@H](C)[C@@]2(C)C\C=C(/C)C=C |r,t:6|
Show InChI InChI=1S/C22H19N3O2/c1-24-20-19(13-18(14-23-20)12-16-8-4-2-5-9-16)21(26)25(22(24)27)15-17-10-6-3-7-11-17/h2-11,13-14H,12,15H2,1H3
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KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 1.01E+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