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Compile Data Set for Download or QSAR

Found 5 hits of ec50 for UniProtKB: Q8TA74   
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
Ryanodine receptor


(Hemicentrotus pulcherrimus)
BDBM50238525
PNG
(CHEMBL4106291)
Show SMILES [H][C@]12COP(O)(=O)OP([O-])(=O)OC[C@@]3([H])S[C@]([H])([C@H](O)[C@@H]3O)[n+]3cnc4n(cnc4c3N)[C@]([H])(O1)[C@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C15H21N5O12P2S/c16-12-7-13-18-4-19(12)15-11(24)9(22)6(35-15)2-30-34(27,28)32-33(25,26)29-1-5-8(21)10(23)14(31-5)20(13)3-17-7/h3-6,8-11,14-16,21-24H,1-2H2,(H2,25,26,27,28)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 39n/an/an/an/a



Juntendo University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at ryanodine receptor in Hemicentrotus pulcherrimus egg homogenate assessed as increase in intracellular calcium mobilization by Flu...


J Med Chem 60: 5868-5875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00540
BindingDB Entry DOI: 10.7270/Q2NK3H9R
More data for this
Ligand-Target Pair
Ryanodine receptor


(Hemicentrotus pulcherrimus)
BDBM50238529
PNG
(CHEMBL3350989)
Show SMILES [H][C@]12COP(O)(=O)OP([O-])(=O)OC[C@@]3([H])O[C@]([H])([C@H](O)[C@@H]3O)[n+]3cnc4n(cnc4c3N)[C@]([H])(O1)[C@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C15H21N5O13P2/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(31-14)1-29-34(25,26)33-35(27,28)30-2-6-9(22)11(24)15(32-6)20(13)3-17-7/h3-6,8-11,14-16,21-24H,1-2H2,(H2,25,26,27,28)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 210n/an/an/an/a



Juntendo University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at ryanodine receptor in Hemicentrotus pulcherrimus egg homogenate assessed as increase in intracellular calcium mobilization by Flu...


J Med Chem 60: 5868-5875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00540
BindingDB Entry DOI: 10.7270/Q2NK3H9R
More data for this
Ligand-Target Pair
Ryanodine receptor


(Hemicentrotus pulcherrimus)
BDBM50238526
PNG
(CHEMBL4106293)
Show SMILES [H][C@]12COP(O)(=O)OP([O-])(=O)OC[C@@]3([H])S[C@]([H])([C@H](O)[C@@H]3O)[n+]3cnc4n(c(N)nc4c3N)[C@]([H])(O1)[C@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C15H22N6O12P2S/c16-11-6-12-18-3-20(11)14-10(25)8(23)5(36-14)2-31-35(28,29)33-34(26,27)30-1-4-7(22)9(24)13(32-4)21(12)15(17)19-6/h3-5,7-10,13-14,16,22-25H,1-2H2,(H4,17,19,26,27,28,29)/t4-,5-,7-,8-,9-,10-,13-,14-/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 870n/an/an/an/a



Juntendo University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human kidney renin


J Med Chem 60: 5868-5875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00540
BindingDB Entry DOI: 10.7270/Q2NK3H9R
More data for this
Ligand-Target Pair
Ryanodine receptor


(Hemicentrotus pulcherrimus)
BDBM50238528
PNG
(CHEMBL4106294)
Show SMILES [H][C@]12COP(O)(=O)OP([O-])(=O)OC[C@@]3([H])S[C@]([H])([C@H](O)[C@@H]3O)[n+]3cnc4n(c(Cl)nc4c3N)[C@]([H])(O1)[C@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C15H20ClN5O12P2S/c16-15-19-6-11(17)20-3-18-12(6)21(15)13-9(24)7(22)4(32-13)1-30-34(26,27)33-35(28,29)31-2-5-8(23)10(25)14(20)36-5/h3-5,7-10,13-14,17,22-25H,1-2H2,(H2,26,27,28,29)/t4-,5-,7-,8-,9-,10-,13-,14-/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.20E+4n/an/an/an/a



Juntendo University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at ryanodine receptor in Hemicentrotus pulcherrimus egg homogenate assessed as increase in intracellular calcium mobilization by Flu...


J Med Chem 60: 5868-5875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00540
BindingDB Entry DOI: 10.7270/Q2NK3H9R
More data for this
Ligand-Target Pair
Ryanodine receptor


(Hemicentrotus pulcherrimus)
BDBM50238527
PNG
(CHEMBL4106292)
Show SMILES [H][C@]12COP(O)(=O)OP([O-])(=O)OC[C@@]3([H])S[C@]([H])([C@H](O)[C@@H]3O)[n+]3cnc4n(c(N=[N+]=[N-])nc4c3N)[C@]([H])(O1)[C@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C15H20N8O12P2S/c16-11-6-12-18-3-22(11)14-10(27)8(25)5(38-14)2-33-37(30,31)35-36(28,29)32-1-4-7(24)9(26)13(34-4)23(12)15(19-6)20-21-17/h3-5,7-10,13-14,16,24-27H,1-2H2,(H2,28,29,30,31)/t4-,5-,7-,8-,9-,10-,13-,14-/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.70E+4n/an/an/an/a



Juntendo University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at ryanodine receptor in Hemicentrotus pulcherrimus egg homogenate assessed as increase in intracellular calcium mobilization by Flu...


J Med Chem 60: 5868-5875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00540
BindingDB Entry DOI: 10.7270/Q2NK3H9R
More data for this
Ligand-Target Pair