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Compile Data Set for Download or QSAR

Found 4 hits of ki for UniProtKB: P16615   
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 ATPase 2


(Homo sapiens)
BDBM50527071
PNG
(CHEMBL4514624)
Show SMILES [H][C@@]12C[C@H](C)\C=C(C)\[C@H](C\C=C\[C@]([H])(CC(=O)O[C@@H](\C=C(\C)C\C=C\C)[C@]([H])(OO1)C=C2)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]1O)OC |r,c:5,31,t:10|
Show InChI InChI=1S/C33H50O11/c1-7-8-10-20(2)17-27-26-14-13-24(43-44-26)16-21(3)15-22(4)25(38-5)12-9-11-23(18-29(35)41-27)40-33-31(37)32(39-6)30(36)28(19-34)42-33/h7-9,11,13-15,17,21,23-28,30-34,36-37H,10,12,16,18-19H2,1-6H3/b8-7+,11-9+,20-17-,22-15+/t21-,23-,24-,25+,26-,27+,28-,30-,31-,32+,33-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



University of Chemistry and Technology Prague

Curated by ChEMBL


Assay Description
Inhibition of SERCA2a (unknown origin)


J Med Chem 63: 1937-1963 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01509
BindingDB Entry DOI: 10.7270/Q29G5R8T
More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2


(Homo sapiens)
BDBM50453611
PNG
(CHEMBL4207081)
Show SMILES [H][C@@]1(O[C@H]2CC(=O)O[C@H](C\C=C\C=C\C[C@H](C)\C=C(C)\[C@H](C\C=C\2)OC)\C=C(\C)C\C=C\C)O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]1O |r,c:17,t:10,12,22|
Show InChI InChI=1S/C34H52O9/c1-7-8-14-24(3)20-26-16-12-10-9-11-15-23(2)19-25(4)28(39-5)18-13-17-27(21-30(36)41-26)42-34-32(38)33(40-6)31(37)29(22-35)43-34/h7-13,17,19-20,23,26-29,31-35,37-38H,14-16,18,21-22H2,1-6H3/b8-7+,11-9+,12-10+,17-13+,24-20-,25-19+/t23-,26+,27+,28-,29+,31+,32+,33-,34+/m0/s1
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11n/an/an/an/an/an/an/an/a



University of Chemistry and Technology Prague

Curated by ChEMBL


Assay Description
Inhibition of SERCA2a (unknown origin)


J Med Chem 63: 1937-1963 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01509
BindingDB Entry DOI: 10.7270/Q29G5R8T
More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2


(Homo sapiens)
BDBM50453612
PNG
(CHEMBL4216774)
Show SMILES CO[C@H]1C\C=C\[C@@H](O)CC(=O)O[C@H](C\C=C\C=C\C[C@H](C)\C=C1/C)\C=C(\C)C\C=C\C |r,t:4,14,16,21|
Show InChI InChI=1S/C27H40O4/c1-6-7-13-22(3)19-25-16-11-9-8-10-14-21(2)18-23(4)26(30-5)17-12-15-24(28)20-27(29)31-25/h6-12,15,18-19,21,24-26,28H,13-14,16-17,20H2,1-5H3/b7-6+,10-8+,11-9+,15-12+,22-19-,23-18+/t21-,24+,25+,26-/m0/s1
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27n/an/an/an/an/an/an/an/a



University of Chemistry and Technology Prague

Curated by ChEMBL


Assay Description
Inhibition of SERCA2a (unknown origin)


J Med Chem 63: 1937-1963 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01509
BindingDB Entry DOI: 10.7270/Q29G5R8T
More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2


(Homo sapiens)
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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Patents


Similars

Article
PubMed
5.30E+4n/an/an/an/an/an/an/an/a



University of Chemistry and Technology Prague

Curated by ChEMBL


Assay Description
Inhibition of human SERCA2b expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 m...


J Med Chem 63: 1937-1963 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01509
BindingDB Entry DOI: 10.7270/Q29G5R8T
More data for this
Ligand-Target Pair