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Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50035668   
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
Ryanodine receptor 1


(Oryctolagus cuniculus)		BDBM50044994
PNG
(2,6,9,11,13,14-hexahydroxy-11-isopropyl-3,7,10-tri...)
Show SMILES CC(C)[C@@]1(O)[C@@H](OC(=O)c2cc[nH]c2)[C@@]2(O)[C@]3(C)C[C@@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C |r,TLB:28:29:31.33:21,34:33:21:29.16.18,THB:14:16:31.33:21,14:31:21:29.16.18,3:33:21:29.16.18,33:19:29:31.14,32:31:21:29.16.18|
Show InChI InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-9-26-10-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)6-8-20(18,24)29/h7,9-10,12-13,15,17,26-27,29-33H,6,8,11H2,1-5H3/t13-,15+,17+,18+,19-,20-,21+,22+,23+,24+,25+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cuniculus (rabbit) skeletal muscle sarcoplasmic reticulum after 80 min by c...

J Med Chem 30: 710-6 (1987)


BindingDB Entry DOI: 10.7270/Q26M37D3
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Oryctolagus cuniculus)		BDBM50016403
PNG
(2,6,9,11,13,14-hexahydroxy-11-isopropyl-7,10-dimet...)
Show SMILES CC(C)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)C(=C)CC[C@]35O)[C@@]2(O)[C@]14C |r,THB:33:19:29:31.14,20:19:29:31.14|
Show InChI InChI=1S/C25H33NO9/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/h6-7,10,12,15,17,26-27,29-33H,3,8-9,11H2,1-2,4-5H3/t15-,17-,18+,19-,20+,21+,22-,23-,24-,25-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cuniculus (rabbit) skeletal muscle sarcoplasmic reticulum after 80 min by c...

J Med Chem 30: 710-6 (1987)


BindingDB Entry DOI: 10.7270/Q26M37D3
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Oryctolagus cuniculus)		BDBM50016410
PNG
(2,6,9,11,13,14-hexahydroxy-11-(2-hydroxy-1-methyle...)
Show SMILES CC(C)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@H](C)CC[C@]35O)[C@@]2(O)[C@]14C |r,THB:33:19:29:31.14,20:19:29:31.14|
Show InChI InChI=1S/C25H35NO10/c1-12-7-8-20(30)18(3)11-21(31)19(4)22(32,13(2)10-27)17(35-16(29)14-6-5-9-26-14)23(18,33)25(19,34)24(20,36-21)15(12)28/h5-6,9,12-13,15,17,26-28,30-34H,7-8,10-11H2,1-4H3/t12-,13?,15+,17+,18-,19+,20-,21-,22+,23+,24+,25+/m0/s1
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n/an/a 41n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cuniculus (rabbit) skeletal muscle sarcoplasmic reticulum after 80 min by c...

J Med Chem 30: 710-6 (1987)


BindingDB Entry DOI: 10.7270/Q26M37D3
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Oryctolagus cuniculus)		BDBM50016413
PNG
(18-HYDROXYRYANODINE | 2,6,9,11,13,14-hexahydroxy-1...)
Show SMILES CC(CO)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C |r,THB:34:20:30:32.15,21:20:30:32.15|
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/t13-,15-,17-,18+,19-,20+,21+,22-,23-,24-,25-/m1/s1
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n/an/a 88n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cuniculus (rabbit) skeletal muscle sarcoplasmic reticulum after 80 min by c...

J Med Chem 30: 710-6 (1987)


BindingDB Entry DOI: 10.7270/Q26M37D3
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Oryctolagus cuniculus)		BDBM50016418
PNG
(10-KETORYANODINE | 6,9,11,13,14-pentahydroxy-11-is...)
Show SMILES CC(C)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5(C(=O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C |r,THB:33:19:29:31.14,20:19:29:31.14|
Show InChI InChI=1S/C25H33NO9/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/h6-7,10,12-13,17,26,29-33H,8-9,11H2,1-5H3/t13-,17+,18-,19+,20-,21-,22+,23+,24+,25+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cuniculus (rabbit) skeletal muscle sarcoplasmic reticulum after 80 min by c...

J Med Chem 30: 710-6 (1987)


BindingDB Entry DOI: 10.7270/Q26M37D3
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Oryctolagus cuniculus)		BDBM50016416
PNG
(10-ACETYLRYANODINE | 6,9,11,13,14-pentahydroxy-11-...)
Show SMILES CC(C)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](OC(C)=O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C |r,THB:36:19:32:34.14,20:19:32:34.14|
Show InChI InChI=1S/C27H37NO10/c1-13(2)24(33)19(37-18(30)16-8-7-11-28-16)25(34)20(5)12-23(32)21(24,6)27(25,35)26(38-23)17(36-15(4)29)14(3)9-10-22(20,26)31/h7-8,11,13-14,17,19,28,31-35H,9-10,12H2,1-6H3/t14-,17+,19+,20-,21+,22-,23-,24+,25+,26+,27+/m0/s1
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cuniculus (rabbit) skeletal muscle sarcoplasmic reticulum after 80 min by c...

J Med Chem 30: 710-6 (1987)


BindingDB Entry DOI: 10.7270/Q26M37D3
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Oryctolagus cuniculus)		BDBM50016411
PNG
(2',6',9',11',13',14'-hexahydroxy-11'-isopropyl-7',...)
Show SMILES CC(C)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)C6(CO6)CC[C@]35O)[C@@]2(O)[C@]14C |r,THB:34:19:30:32.14,20:19:30:32.14|
Show InChI InChI=1S/C25H33NO10/c1-12(2)22(31)16(35-14(27)13-6-5-9-26-13)23(32)17(3)10-21(30)18(22,4)25(23,33)24(36-21)15(28)19(11-34-19)7-8-20(17,24)29/h5-6,9,12,15-16,26,28-33H,7-8,10-11H2,1-4H3/t15-,16-,17+,18-,19?,20+,21+,22-,23-,24-,25-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cuniculus (rabbit) skeletal muscle sarcoplasmic reticulum after 80 min by c...

J Med Chem 30: 710-6 (1987)


BindingDB Entry DOI: 10.7270/Q26M37D3
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Oryctolagus cuniculus)		BDBM50016406
PNG
(2,6,11,13,14-pentahydroxy-11-isopropyl-9-methoxy-3...)
Show SMILES CO[C@@]12C[C@@]3(C)[C@@]4(O)CC[C@H](C)[C@@H](O)[C@]4(O1)[C@]1(O)[C@@]3(O)[C@H](OC(=O)c3cccn3C)[C@](O)(C(C)C)[C@]21C |r,THB:35:2:6:16.18,1:2:6:16.18|
Show InChI InChI=1S/C27H39NO9/c1-14(2)24(32)19(36-18(30)16-9-8-12-28(16)6)25(33)20(4)13-23(35-7)21(24,5)27(25,34)26(37-23)17(29)15(3)10-11-22(20,26)31/h8-9,12,14-15,17,19,29,31-34H,10-11,13H2,1-7H3/t15-,17+,19+,20-,21+,22-,23-,24+,25+,26+,27+/m0/s1
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n/an/a 280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cuniculus (rabbit) skeletal muscle sarcoplasmic reticulum after 80 min by c...

J Med Chem 30: 710-6 (1987)


BindingDB Entry DOI: 10.7270/Q26M37D3
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Oryctolagus cuniculus)		BDBM50016417
PNG
(2,6,9,11,13,14-hexahydroxy-11-isopropyl-3,7,10-tri...)
Show SMILES CC(C)[C@@]1(O)[C@@H](OC(=O)c2cccn2Cc2ccccc2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C |r,THB:40:26:36:38.21,27:26:36:38.21|
Show InChI InChI=1S/C32H41NO9/c1-18(2)29(38)24(41-23(35)21-12-9-15-33(21)16-20-10-7-6-8-11-20)30(39)25(4)17-28(37)26(29,5)32(30,40)31(42-28)22(34)19(3)13-14-27(25,31)36/h6-12,15,18-19,22,24,34,36-40H,13-14,16-17H2,1-5H3/t19-,22+,24+,25-,26+,27-,28-,29+,30+,31+,32+/m0/s1
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n/an/a 310n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cuniculus (rabbit) skeletal muscle sarcoplasmic reticulum after 80 min by c...

J Med Chem 30: 710-6 (1987)


BindingDB Entry DOI: 10.7270/Q26M37D3
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Oryctolagus cuniculus)		BDBM50016405
PNG
(2,6,9,11,13,14-hexahydroxy-11-isopropyl-3,7,10-tri...)
Show SMILES CCCCn1cccc1C(=O)O[C@@H]1[C@](O)(C(C)C)[C@]2(C)[C@]3(O)C[C@@]4(C)[C@@]5(O)CC[C@H](C)[C@@H](O)[C@]5(O3)[C@]2(O)[C@@]14O |r,THB:18:20:25:35.37,21:20:25:35.37|
Show InChI InChI=1S/C29H43NO9/c1-7-8-13-30-14-9-10-18(30)20(32)38-21-26(35,16(2)3)23(6)25(34)15-22(5)24(33)12-11-17(4)19(31)28(24,39-25)29(23,37)27(21,22)36/h9-10,14,16-17,19,21,31,33-37H,7-8,11-13,15H2,1-6H3/t17-,19+,21+,22-,23+,24-,25-,26+,27+,28+,29+/m0/s1
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n/an/a 860n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cuniculus (rabbit) skeletal muscle sarcoplasmic reticulum after 80 min by c...

J Med Chem 30: 710-6 (1987)


BindingDB Entry DOI: 10.7270/Q26M37D3
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Oryctolagus cuniculus)		BDBM50016412
PNG
(2,11,13,14-tetrahydroxy-11-isopropyl-6,9-dimethoxy...)
Show SMILES CO[C@@]12C[C@@]3(C)[C@]4(CC[C@H](C)[C@@H](O)[C@]4(O1)[C@]1(O)[C@@]3(O)[C@H](OC(=O)c3cccn3C)[C@](O)(C(C)C)[C@]21C)OC |r,THB:34:2:6:15.17,1:2:6:15.17|
Show InChI InChI=1S/C28H41NO9/c1-15(2)25(32)20(37-19(31)17-10-9-13-29(17)6)26(33)21(4)14-24(36-8)22(25,5)28(26,34)27(38-24)18(30)16(3)11-12-23(21,27)35-7/h9-10,13,15-16,18,20,30,32-34H,11-12,14H2,1-8H3/t16-,18+,20+,21-,22+,23-,24-,25+,26+,27+,28+/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cuniculus (rabbit) skeletal muscle sarcoplasmic reticulum after 80 min by c...

J Med Chem 30: 710-6 (1987)


BindingDB Entry DOI: 10.7270/Q26M37D3
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Oryctolagus cuniculus)		BDBM50016409
PNG
(2,6,11,14-tetrahydroxy-11-isopropyl-9,13-dimethoxy...)
Show SMILES CO[C@@]12C[C@@]3(C)[C@@]4(O)CC[C@H](C)[C@@H](O)[C@]4(O1)[C@@]1(O)[C@]2(C)[C@@](O)(C(C)C)[C@@H](OC(=O)c2cccn2C)[C@@]31OC |r,THB:18:2:6:16.35,1:2:6:16.35|
Show InChI InChI=1S/C28H41NO9/c1-15(2)25(33)20(37-19(31)17-10-9-13-29(17)6)27(36-8)21(4)14-24(35-7)22(25,5)28(27,34)26(38-24)18(30)16(3)11-12-23(21,26)32/h9-10,13,15-16,18,20,30,32-34H,11-12,14H2,1-8H3/t16-,18+,20+,21-,22+,23-,24-,25+,26+,27+,28-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cuniculus (rabbit) skeletal muscle sarcoplasmic reticulum after 80 min by c...

J Med Chem 30: 710-6 (1987)


BindingDB Entry DOI: 10.7270/Q26M37D3
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Oryctolagus cuniculus)		BDBM50016404
PNG
(2,3,6,9,11,13,14-heptahydroxy-3-hydroxymethyl-11-i...)
Show SMILES CC(C)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@](O)(CO)CC[C@]35O)[C@@]2(O)[C@]14C |r,THB:35:19:31:33.14,20:19:31:33.14|
Show InChI InChI=1S/C25H35NO11/c1-12(2)22(33)16(36-14(28)13-6-5-9-26-13)23(34)17(3)10-21(32)18(22,4)25(23,35)24(37-21)15(29)19(30,11-27)7-8-20(17,24)31/h5-6,9,12,15-16,26-27,29-35H,7-8,10-11H2,1-4H3/t15-,16-,17+,18-,19-,20+,21+,22-,23-,24-,25-/m1/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cuniculus (rabbit) skeletal muscle sarcoplasmic reticulum after 80 min by c...

J Med Chem 30: 710-6 (1987)


BindingDB Entry DOI: 10.7270/Q26M37D3
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Oryctolagus cuniculus)		BDBM50016414
PNG
(6,9,11,13,14-pentahydroxy-11-isopropyl-3,7,10-trim...)
Show SMILES CC(C)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5(C(=O)C(C)=CC[C@]35O)[C@@]2(O)[C@]14C |r,c:27,THB:33:19:29:31.14,20:19:29:31.14|
Show InChI InChI=1S/C25H31NO9/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/h6-8,10,12,17,26,29-33H,9,11H2,1-5H3/t17-,18+,19-,20+,21+,22-,23-,24-,25-/m1/s1
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n/an/a 7.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cuniculus (rabbit) skeletal muscle sarcoplasmic reticulum after 80 min by c...

J Med Chem 30: 710-6 (1987)


BindingDB Entry DOI: 10.7270/Q26M37D3
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Oryctolagus cuniculus)		BDBM50016402
PNG
(11-isopropyl-7,10-dimethyl-3-methylene-(1R,2R,6S,7...)
Show SMILES CC(C)[C@@]1(O)[C@@H](O)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)C(=C)CC[C@]35O)[C@@]2(O)[C@]14C |r,THB:13:12:22:24.7,26:12:22:24.7|
Show InChI InChI=1S/C20H30O8/c1-9(2)17(25)12(22)18(26)13(4)8-16(24)14(17,5)20(18,27)19(28-16)11(21)10(3)6-7-15(13,19)23/h9,11-12,21-27H,3,6-8H2,1-2,4-5H3/t11-,12-,13+,14-,15+,16+,17-,18-,19-,20-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cuniculus (rabbit) skeletal muscle sarcoplasmic reticulum after 80 min by c...

J Med Chem 30: 710-6 (1987)


BindingDB Entry DOI: 10.7270/Q26M37D3
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Oryctolagus cuniculus)		BDBM50016420
PNG
(2,6,9,11,13,14-hexahydroxy-11-isopropyl-3,7,10-tri...)
Show SMILES CC(C)[C@@]1(O)[C@@H](OC(=O)c2[nH]c(Br)c(Br)c2Br)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C |r,THB:36:22:32:34.17,23:22:32:34.17|
Show InChI InChI=1S/C25H32Br3NO9/c1-9(2)22(34)17(37-16(31)13-11(26)12(27)15(28)29-13)23(35)18(4)8-21(33)19(22,5)25(23,36)24(38-21)14(30)10(3)6-7-20(18,24)32/h9-10,14,17,29-30,32-36H,6-8H2,1-5H3/t10-,14+,17+,18-,19+,20-,21-,22+,23+,24+,25+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cuniculus (rabbit) skeletal muscle sarcoplasmic reticulum after 80 min by c...

J Med Chem 30: 710-6 (1987)


BindingDB Entry DOI: 10.7270/Q26M37D3
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Oryctolagus cuniculus)		BDBM50016408
PNG
(2,6,8,12-tetrahydroxy-10-isopropyl-3,7,11-trimethy...)
Show SMILES CC(C)C1=C(C)[C@@]2(O)[C@@](O)([C@@H]1OC(=O)c1ccc[nH]1)[C@@]1(C)CC(=O)O[C@@]22[C@H](O)[C@@H](C)CC[C@]12O |c:3,TLB:23:22:6.8:32|
Show InChI InChI=1S/C25H33NO8/c1-12(2)17-14(4)23(31)24(32,19(17)33-20(29)15-7-6-10-26-15)21(5)11-16(27)34-25(23)18(28)13(3)8-9-22(21,25)30/h6-7,10,12-13,18-19,26,28,30-32H,8-9,11H2,1-5H3/t13-,18+,19+,21-,22-,23+,24+,25+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cuniculus (rabbit) skeletal muscle sarcoplasmic reticulum after 80 min by c...

J Med Chem 30: 710-6 (1987)


BindingDB Entry DOI: 10.7270/Q26M37D3
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Oryctolagus cuniculus)		BDBM50016407
PNG
(6,11,14-trihydroxy-11-isopropyl-2,9,13-trimethoxy-...)
Show SMILES CO[C@@H]1[C@@H](C)CC[C@]2(O)[C@]3(C)C[C@]4(OC)O[C@]12[C@@]1(O)[C@]4(C)[C@@](O)(C(C)C)[C@@H](OC(=O)c2cccn2C)[C@@]31OC |r,THB:19:12:7:17.36,13:12:7:17.36|
Show InChI InChI=1S/C29H43NO9/c1-16(2)26(33)21(38-20(31)18-11-10-14-30(18)6)28(37-9)22(4)15-25(36-8)23(26,5)29(28,34)27(39-25)19(35-7)17(3)12-13-24(22,27)32/h10-11,14,16-17,19,21,32-34H,12-13,15H2,1-9H3/t17-,19+,21+,22-,23+,24-,25-,26+,27+,28+,29-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cuniculus (rabbit) skeletal muscle sarcoplasmic reticulum after 80 min by c...

J Med Chem 30: 710-6 (1987)


BindingDB Entry DOI: 10.7270/Q26M37D3
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Oryctolagus cuniculus)		BDBM50016415
PNG
(11-isopropyl-3,7,10-trimethyl-(1R,2R,3S,6S,7S,9S,1...)
Show SMILES CC(C)[C@@]1(O)[C@@H](O)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C |r,THB:26:12:22:7.24,13:12:22:7.24|
Show InChI InChI=1S/C20H32O8/c1-9(2)17(25)12(22)18(26)13(4)8-16(24)14(17,5)20(18,27)19(28-16)11(21)10(3)6-7-15(13,19)23/h9-12,21-27H,6-8H2,1-5H3/t10-,11+,12+,13-,14+,15-,16-,17+,18+,19+,20+/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cuniculus (rabbit) skeletal muscle sarcoplasmic reticulum after 80 min by c...

J Med Chem 30: 710-6 (1987)


BindingDB Entry DOI: 10.7270/Q26M37D3
More data for this
Ligand-Target Pair