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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'gengo' and Initial = 'pj'   
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
Cardiac ryanodine receptor 2


(Canis familiaris)
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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PC cid
PC sid
UniChem

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Article
PubMed
1.80n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity towards ryanodine receptor in canine ventrical preparation


J Med Chem 39: 2339-46 (1996)


Article DOI: 10.1021/jm950712d
BindingDB Entry DOI: 10.7270/Q2T15490
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
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.


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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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