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BDBM50016408 2,6,8,12-tetrahydroxy-10-isopropyl-3,7,11-trimethyl-14-oxo-(2R,3S,6S,7S,8S,9R,12R)-13-oxatetracyclo[5.5.3.01,6.08,12]pentadec-10-en-9-yl 1H-2-pyrrolecarboxylate(anhydroryanodine)::CHEMBL164257

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

InChI Key: InChIKey=PFPMKZBSCJNBMC-KGSHZRFRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50016408   
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


(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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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