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BDBM50431167 CHEMBL2332553

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

InChI Key: InChIKey=USQZBMKYUHMTCG-PMWCPBRVSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50431167   
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)		BDBM50431167
PNG
(CHEMBL2332553)
Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3O[C@H]4N=C(CCOCC)O[C@@]4(C)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |r,t:20,25|
Show InChI InChI=1S/C39H59NO12/c1-10-14-15-16-17-19-29(43)48-33-31-30(24(6)32(33)49-35(44)23(5)12-3)34-39(45,38(9)36(50-34)40-27(52-38)20-21-46-13-4)26(47-28(42)18-11-2)22-37(31,8)51-25(7)41/h12,26,31-34,36,45H,10-11,13-22H2,1-9H3/b23-12-/t26-,31+,32-,33-,34-,36+,37-,38+,39+/m0/s1
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 79n/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