BDBM50044989 (O10eq)-beta-guanidinopropionylryanodine::CHEMBL27669

SMILES: CC(C)C1(O)[C@@H](OC(=O)c2ccc[nH]2)C2(O)[C@@]3(C)CC4(O)OC5([C@H](OC(=O)CCNC(N)=N)C(C)CCC35O)C2(O)C14C

InChI Key: InChIKey=ZCZPMYVYWWNDNA-IYRTUPHRSA-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 = 50044989   

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)	BDBM50044989 ((O10eq)-beta-guanidinopropionylryanodine | CHEMBL2...) Show SMILES CC(C)C1(O)[C@@H](OC(=O)c2ccc[nH]2)C2(O)[C@@]3(C)CC4(O)OC5([C@H](OC(=O)CCNC(N)=N)C(C)CCC35O)C2(O)C14C |TLB:37:16:41:22.21,15:14:22.37:41.19.18,15:14:41:22.21,40:39:3.5:16.19.18,3:41:22.21:14.16.18,20:19:39:3.5,6:5:39:16.19.18,THB:22:39:3.5:16.19.18,42:41:22.21:14.16.18,37:22:41:14.16.18,37:16:39:3.5,5:14:22.37:41.19.18,5:14:41:22.21,21:19:39:3.5,23:22:41:14.16.18,4:3:39:16.19.18| Show InChI InChI=1S/C29H42N4O10/c1-14(2)26(38)20(42-19(35)16-7-6-11-32-16)27(39)22(4)13-25(37)23(26,5)29(27,40)28(43-25)18(15(3)8-10-24(22,28)36)41-17(34)9-12-33-21(30)31/h6-7,11,14-15,18,20,32,36-40H,8-10,12-13H2,1-5H3,(H4,30,31,33)/t15?,18-,20-,22+,23?,24?,25?,26?,27?,28?,29?/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Affinity for sarcoplasmic reticular calcium release channel (SR CRC) of rabbit skeletal membrane vesicles				J Med Chem 36: 1319-23 (1993) BindingDB Entry DOI: 10.7270/Q2PN968V
					More data for this Ligand-Target Pair