BDBM50016411 2',6',9',11',13',14'-hexahydroxy-11'-isopropyl-7',10'-dimethyl-(1'R,2'R,6'S,7'S,9'S,10'R,11'S,12'R,13'S,14'R)-spiro[dihydrooxirane-2,3'-(15'-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecane)]-12-yl 1H-2-pyrroleca::9,21-EPOXYRYANODINE::CHEMBL349362

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

InChI Key: InChIKey=BLFWHBSHUQXUKD-SJDYKOIUSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50016411   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Ryanodine receptor 1 (Oryctolagus cuniculus)	BDBM50016411 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/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