BDBM50016403 2,6,9,11,13,14-hexahydroxy-11-isopropyl-7,10-dimethyl-3-methylene-(1R,2R,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::CHEMBL350293::DEHYDRORYANODINE

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

InChI Key: InChIKey=BPFNBBLVUYSFRK-XNEQJHRHSA-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 = 50016403   

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)	BDBM50016403 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	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