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BDBM50016404 2,3,6,9,11,13,14-heptahydroxy-3-hydroxymethyl-11-isopropyl-7,10-dimethyl-(1R,2R,3S,6S,7S,9S,10R,11S,12R,13S,14R)-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadec-12-yl 1H-2-pyrrolecarboxylate::9,21-DIHYDROXYRYANODINE::CHEMBL354013

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

InChI Key: InChIKey=DHVVNSKDLZXOQU-RTZSGNFDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50016404   
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)		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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NCI pathway
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KEGG

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PC cid
PC sid
UniChem

Similars
PubMed
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