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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'Ryanodine receptor 1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Ryanodine receptor 1


(Homo sapiens)
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
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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PubMed
1.80n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding to ryanodine receptor in canine cardiac membranes.


Citation and Details
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Homo sapiens)
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
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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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


Citation and Details
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Homo sapiens)
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
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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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


Citation and Details
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Homo sapiens)
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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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


Citation and Details
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Homo sapiens)
BDBM50191278
PNG
((+/-)-5,17-dibromo-4-hydroxy-2-oxa-10-aza-tricyclo...)
Show SMILES Oc1c(Br)cc2CCNC(=O)CCc3ccc(Oc1c2)c(Br)c3
Show InChI InChI=1S/C17H15Br2NO3/c18-12-7-10-1-3-14(12)23-15-9-11(8-13(19)17(15)22)5-6-20-16(21)4-2-10/h1,3,7-9,22H,2,4-6H2,(H,20,21)
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PubMed
n/an/an/an/a 1.10E+4n/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to RYR1 channels by calcium mobilization assay


Citation and Details
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Homo sapiens)
BDBM50150778
PNG
(Bastadin-7 | Bastadins 7 | CHEMBL360190 | bastadin...)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O
Show InChI InChI=1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,25-26,43-44H,6,8,13-14H2,(H,39,46)(H,40,45)
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PubMed
n/an/an/an/a 6.30E+3n/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to RYR1 channels by calcium mobilization assay


Citation and Details
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Homo sapiens)
BDBM50241985
PNG
((E,Z)bastadin-19 | Bastadin-19 | CHEMBL506286 | CH...)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(O)c(Oc4c(Br)cc(CC(N=O)C(=O)NCCc5ccc(Oc1c2)c(Br)c5)cc4Br)c3)N=O
Show InChI InChI=1S/C34H27Br5N4O8/c35-20-7-16-1-2-27(20)50-28-14-17(8-21(36)30(28)44)4-6-41-34(47)26(43-49)13-19-9-22(37)31(45)29(15-19)51-32-23(38)10-18(11-24(32)39)12-25(42-48)33(46)40-5-3-16/h1-2,7-11,14-15,25-26,44-45H,3-6,12-13H2,(H,40,46)(H,41,47)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to RYR1 channels by calcium mobilization assay


Citation and Details
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Homo sapiens)
BDBM50241985
PNG
((E,Z)bastadin-19 | Bastadin-19 | CHEMBL506286 | CH...)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(O)c(Oc4c(Br)cc(CC(N=O)C(=O)NCCc5ccc(Oc1c2)c(Br)c5)cc4Br)c3)N=O
Show InChI InChI=1S/C34H27Br5N4O8/c35-20-7-16-1-2-27(20)50-28-14-17(8-21(36)30(28)44)4-6-41-34(47)26(43-49)13-19-9-22(37)31(45)29(15-19)51-32-23(38)10-18(11-24(32)39)12-25(42-48)33(46)40-5-3-16/h1-2,7-11,14-15,25-26,44-45H,3-6,12-13H2,(H,40,46)(H,41,47)
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]ryanodine from RyR1 calcium channel in sarcoplasmic reticulum assessed as calcium mobilization


Citation and Details
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Homo sapiens)
BDBM50241986
PNG
(Bastadin-10 | CHEMBL504851)
Show SMILES O[C@@H]1CNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CC(N=O)C(=O)NCCc4cc(Br)c(O)c(Oc5ccc1cc5Br)c4)cc3Br)c2)N=O
Show InChI InChI=1S/C34H28Br4N4O9/c35-20-7-16-1-3-27(20)50-30-13-18(9-23(38)32(30)45)11-25(42-49)34(47)40-15-26(43)19-2-4-28(21(36)14-19)51-29-12-17(8-22(37)31(29)44)5-6-39-33(46)24(10-16)41-48/h1-4,7-9,12-14,24-26,43-45H,5-6,10-11,15H2,(H,39,46)(H,40,47)/t24?,25?,26-/m1/s1
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PubMed
n/an/an/an/a 5.80E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]ryanodine from RyR1 calcium channel in sarcoplasmic reticulum assessed as calcium mobilization


Citation and Details
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Homo sapiens)
BDBM50241984
PNG
(BASTADIN 6 | CHEMBL505907 | bastadin-6)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(Oc4cc(CC(N=O)C(=O)NCCc5cc(Br)c(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O
Show InChI InChI=1S/C34H26Br6N4O8/c35-19-5-16-2-4-42-33(47)25(43-49)11-17-9-23(39)32(24(40)10-17)52-28-14-18(8-20(36)30(28)46)12-26(44-50)34(48)41-3-1-15-6-21(37)31(22(38)7-15)51-27(13-16)29(19)45/h5-10,13-14,25-26,45-46H,1-4,11-12H2,(H,41,48)(H,42,47)
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n/an/an/an/a 2.60E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]ryanodine from RyR1 calcium channel in sarcoplasmic reticulum assessed as calcium mobilization


Citation and Details
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Homo sapiens)
BDBM50241983
PNG
(BASTADIN 4 | Bastadin 4 | Bastadin-4 | CHEMBL45314...)
Show SMILES O\N=C1/Cc2cc(Br)c(Oc3cc(C\C(=N/O)C(=O)N\C=C\c4ccc(Oc5cc(CCNC1=O)cc(Br)c5O)c(Br)c4)cc(Br)c3O)c(Br)c2
Show InChI InChI=1S/C34H25Br5N4O8/c35-20-7-16-1-2-27(20)50-28-14-17(8-21(36)30(28)44)4-6-41-33(46)25(42-48)12-18-10-23(38)32(24(39)11-18)51-29-15-19(9-22(37)31(29)45)13-26(43-49)34(47)40-5-3-16/h1-3,5,7-11,14-15,25-26,44-45H,4,6,12-13H2,(H,40,47)(H,41,46)
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PubMed
n/an/an/an/a 1.47E+4n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]ryanodine from RyR1 calcium channel in sarcoplasmic reticulum assessed as calcium mobilization


Citation and Details
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Homo sapiens)
BDBM50191286
PNG
(Bastadin-5 | CHEMBL439151 | bastadin 5)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(Oc4cc(CC(N=O)C(=O)NCCc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O
Show InChI InChI=1S/C34H27Br5N4O8/c35-20-7-16-1-2-27(20)50-28-14-17(8-21(36)30(28)44)4-6-41-33(46)25(42-48)12-18-10-23(38)32(24(39)11-18)51-29-15-19(9-22(37)31(29)45)13-26(43-49)34(47)40-5-3-16/h1-2,7-11,14-15,25-26,44-45H,3-6,12-13H2,(H,40,47)(H,41,46)
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PubMed
n/an/an/an/a 2.20E+3n/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to RYR1 channels by calcium mobilization assay


Citation and Details
More data for this
Ligand-Target Pair