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BDBM50431166 CHEMBL2332554

SMILES: CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@]4(C)O[C@]34[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC

InChI Key: InChIKey=ASFJLBLUGLMZKI-FSIHEZPISA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50431166   
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)		BDBM50431166
PNG
(CHEMBL2332554)
Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@]4(C)O[C@]34[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |r,t:20|
Show InChI InChI=1S/C34H48O11/c1-9-12-13-14-15-17-24(37)41-28-26-25(20(5)27(28)42-30(38)19(4)11-3)29-34(33(8,45-34)31(39)43-29)22(40-23(36)16-10-2)18-32(26,7)44-21(6)35/h11,22,26-29H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 13n/an/an/an/an/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