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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for UniProtKB: P21817   
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 1


(Homo sapiens (Human))
BDBM50051434
PNG
(10-epi-hydroxy-Ryanodine | CHEMBL308183 | Ryanodin...)
Show SMILES CC(C)C1(O)C(OC(=O)c2ccc[nH]2)C2(O)C3(C)CC4(O)OC5(C(O)C(C)CCC35O)C2(O)C14C |TLB:33:31:29:19.21.18,14:31:21:16.29.18,20:19:31.14:29,3:33:21:16.29.18,5:14:29:19.21.18,28:29:31.33:21,28:29:31.14:19.21.18,THB:32:31:21:16.29.18,32:31:29:19.21.18,33:19:31.14:29,15:14:29:19.21.18,14:16:31.33:21,30:29:31.33:21,30:29:31.14:19.21.18,34:33:21:16.29.18|
Show InChI InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3
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PC cid
PC sid
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Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against ryanodine receptor from mouse brain preparation


J Med Chem 39: 2331-8 (1996)


Article DOI: 10.1021/jm950711l
BindingDB Entry DOI: 10.7270/Q24Q7T31
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Homo sapiens (Human))
BDBM50051434
PNG
(10-epi-hydroxy-Ryanodine | CHEMBL308183 | Ryanodin...)
Show SMILES CC(C)C1(O)C(OC(=O)c2ccc[nH]2)C2(O)C3(C)CC4(O)OC5(C(O)C(C)CCC35O)C2(O)C14C |TLB:33:31:29:19.21.18,14:31:21:16.29.18,20:19:31.14:29,3:33:21:16.29.18,5:14:29:19.21.18,28:29:31.33:21,28:29:31.14:19.21.18,THB:32:31:21:16.29.18,32:31:29:19.21.18,33:19:31.14:29,15:14:29:19.21.18,14:16:31.33:21,30:29:31.33:21,30:29:31.14:19.21.18,34:33:21:16.29.18|
Show InChI InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3
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Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against ryanodine receptor from rabbit muscle preparation


J Med Chem 39: 2331-8 (1996)


Article DOI: 10.1021/jm950711l
BindingDB Entry DOI: 10.7270/Q24Q7T31
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Homo sapiens (Human))
BDBM50191280
PNG
(5,21-Dibromo-4-hydroxy-2-oxa-10,14-diaza-tricyclo[...)
Show SMILES Oc1c(Br)cc2CCNC(=O)CCNC(=O)CCc3ccc(Oc1c2)c(Br)c3
Show InChI InChI=1S/C20H20Br2N2O4/c21-14-9-12-1-3-16(14)28-17-11-13(10-15(22)20(17)27)5-7-23-19(26)6-8-24-18(25)4-2-12/h1,3,9-11,27H,2,4-8H2,(H,23,26)(H,24,25)
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Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to RYR1 channels by calcium mobilization assay


Bioorg Med Chem Lett 18: 5734-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.080
BindingDB Entry DOI: 10.7270/Q2NV9K5T
More data for this
Ligand-Target Pair