BDBM50292368 CHEMBL498932::bastadin 20

SMILES: Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(O)c(Oc4ccc(CC(N=O)C(=O)NCCc5ccc(Oc1c2)c(Br)c5)cc4Br)c3)N=O

InChI Key: InChIKey=GGIPRGKQFNSELS-UHFFFAOYSA-N

Data: 1 EC50

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 = 50292368   

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)	BDBM50292368 (CHEMBL498932 | bastadin 20) Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(O)c(Oc4ccc(CC(N=O)C(=O)NCCc5ccc(Oc1c2)c(Br)c5)cc4Br)c3)N=O Show InChI InChI=1S/C34H28Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-34(46)26(42-48)14-20-12-24(38)32(44)30(16-20)50-28-4-2-18(10-22(28)36)13-25(41-47)33(45)39-7-5-17/h1-4,9-12,15-16,25-26,43-44H,5-8,13-14H2,(H,39,45)(H,40,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.06E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]ryanodine from Ry1R/FKBP12 receptor complex in rabbit sarcoplasmic reticulum				J Nat Prod 59: 1121-7 (1997) Article DOI: 10.1021/np960507g BindingDB Entry DOI: 10.7270/Q2VM4D59
					More data for this Ligand-Target Pair