BDBM50241985 (E,Z)bastadin-19::Bastadin-19::CHEMBL506286::CHEMBL508830

SMILES: Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(O)c(Oc4c(Br)cc(CC(N=O)C(=O)NCCc5ccc(Oc1c2)c(Br)c5)cc4Br)c3)N=O

InChI Key: InChIKey=IQOBTGDUNDPTER-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50241985   

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 (Homo sapiens (Human))	BDBM50241985 ((E,Z)bastadin-19 | Bastadin-19 | CHEMBL506286 | CH...) Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(O)c(Oc4c(Br)cc(CC(N=O)C(=O)NCCc5ccc(Oc1c2)c(Br)c5)cc4Br)c3)N=O Show InChI InChI=1S/C34H27Br5N4O8/c35-20-7-16-1-2-27(20)50-28-14-17(8-21(36)30(28)44)4-6-41-34(47)26(43-49)13-19-9-22(37)31(45)29(15-19)51-32-23(38)10-18(11-24(32)39)12-25(42-48)33(46)40-5-3-16/h1-2,7-11,14-15,25-26,44-45H,3-6,12-13H2,(H,40,46)(H,41,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]ryanodine from RyR1 calcium channel in sarcoplasmic reticulum assessed as calcium mobilization				J Nat Prod 66: 112-4 (2003) Article DOI: 10.1021/np020382h BindingDB Entry DOI: 10.7270/Q2HM587T
					More data for this Ligand-Target Pair
Ryanodine receptor 1 (Homo sapiens (Human))	BDBM50241985 ((E,Z)bastadin-19 | Bastadin-19 | CHEMBL506286 | CH...) Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(O)c(Oc4c(Br)cc(CC(N=O)C(=O)NCCc5ccc(Oc1c2)c(Br)c5)cc4Br)c3)N=O Show InChI InChI=1S/C34H27Br5N4O8/c35-20-7-16-1-2-27(20)50-28-14-17(8-21(36)30(28)44)4-6-41-34(47)26(43-49)13-19-9-22(37)31(45)29(15-19)51-32-23(38)10-18(11-24(32)39)12-25(42-48)33(46)40-5-3-16/h1-2,7-11,14-15,25-26,44-45H,3-6,12-13H2,(H,40,46)(H,41,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Polish Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity to RYR1 channels by calcium mobilization assay				Bioorg Med Chem Lett 18: 5734-7 (2009) Article DOI: 10.1016/j.bmcl.2008.09.080 BindingDB Entry DOI: 10.7270/Q2NV9K5T
					More data for this Ligand-Target Pair
Ryanodine receptor 1 (Oryctolagus cuniculus)	BDBM50241985 ((E,Z)bastadin-19 | Bastadin-19 | CHEMBL506286 | CH...) Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(O)c(Oc4c(Br)cc(CC(N=O)C(=O)NCCc5ccc(Oc1c2)c(Br)c5)cc4Br)c3)N=O Show InChI InChI=1S/C34H27Br5N4O8/c35-20-7-16-1-2-27(20)50-28-14-17(8-21(36)30(28)44)4-6-41-34(47)26(43-49)13-19-9-22(37)31(45)29(15-19)51-32-23(38)10-18(11-24(32)39)12-25(42-48)33(46)40-5-3-16/h1-2,7-11,14-15,25-26,44-45H,3-6,12-13H2,(H,40,46)(H,41,47)	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	>1.00E+5	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