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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 = 'BDBM50097535'   
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)		BDBM50097535
PNG
(CHEMBL3125414)
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)C[C@@H](O)C(=C)C=C)OC(=O)CC(O)CCCCCCCCC |r,t:5|
Show InChI InChI=1S/C36H56O10/c1-8-10-11-12-13-14-15-16-26(39)20-32(42)45-31-17-23(4)35(7,21-29(41)22(3)9-2)30-19-27(40)18-28-33(43-24(5)37)46-34(36(28,30)31)44-25(6)38/h9,18,23,26-27,29-31,33-34,39-41H,2-3,8,10-17,19-21H2,1,4-7H3/t23-,26?,27+,29-,30+,31+,33+,34-,35-,36-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 3.15E+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