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BDBM50431171 CHEMBL2332104

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

InChI Key: InChIKey=GMIIFQPLBPYVHM-WZVYUBMSSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50431171   
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)		BDBM50431171
PNG
(CHEMBL2332104)
Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(OC(C)=O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |r,t:20|
Show InChI InChI=1S/C36H52O13/c1-10-13-14-15-16-18-26(40)45-30-28-27(21(5)29(30)46-32(41)20(4)12-3)31-36(49-23(7)38,35(9,43)33(42)47-31)24(44-25(39)17-11-2)19-34(28,8)48-22(6)37/h12,24,28-31,43H,10-11,13-19H2,1-9H3/b20-12-/t24-,28+,29-,30-,31-,34-,35+,36+/m0/s1
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 2.60n/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