BDBM50172380 CHEMBL370148::Truncated brevetoxin B

SMILES: CC1=CC(=O)O[C@H]2C[C@H]3O[C@@]4(C)C\C=C/[C@H]5O[C@H]6C[C@H]7O[C@H](CC(=C)C=O)C[C@H](O)[C@]7(C)O[C@@H]6C[C@@H]5O[C@@H]4C[C@]3(C)O[C@]12C

InChI Key: InChIKey=AUTFJWOBWUVINB-BXILJZQKSA-N

Data: 2 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 2 hits for monomerid = 50172380   

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
Sodium channel protein type I I alpha subunit (Homo sapiens (Human))	BDBM50172380 (CHEMBL370148 | Truncated brevetoxin B) Show SMILES CC1=CC(=O)O[C@H]2C[C@H]3O[C@@]4(C)C\C=C/[C@H]5O[C@H]6C[C@H]7O[C@H](CC(=C)C=O)C[C@H](O)[C@]7(C)O[C@@H]6C[C@@H]5O[C@@H]4C[C@]3(C)O[C@]12C |c:13,t:1| Show InChI InChI=1S/C34H46O10/c1-18(17-35)10-20-12-25(36)34(6)27(38-20)14-23-24(42-34)13-22-21(39-23)8-7-9-31(3)29(40-22)16-32(4)26(43-31)15-28-33(5,44-32)19(2)11-30(37)41-28/h7-8,11,17,20-29,36H,1,9-10,12-16H2,2-6H3/b8-7-/t20-,21-,22+,23+,24-,25+,26-,27-,28+,29-,31+,32+,33-,34+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against synaptosomes using [3H]PbTx-3				J Med Chem 48: 5613-38 (2005) Article DOI: 10.1021/jm050524f BindingDB Entry DOI: 10.7270/Q2V988V1
					More data for this Ligand-Target Pair
Sodium channel protein type I I alpha subunit (Homo sapiens (Human))	BDBM50172380 (CHEMBL370148 | Truncated brevetoxin B) Show SMILES CC1=CC(=O)O[C@H]2C[C@H]3O[C@@]4(C)C\C=C/[C@H]5O[C@H]6C[C@H]7O[C@H](CC(=C)C=O)C[C@H](O)[C@]7(C)O[C@@H]6C[C@@H]5O[C@@H]4C[C@]3(C)O[C@]12C |c:13,t:1| Show InChI InChI=1S/C34H46O10/c1-18(17-35)10-20-12-25(36)34(6)27(38-20)14-23-24(42-34)13-22-21(39-23)8-7-9-31(3)29(40-22)16-32(4)26(43-31)15-28-33(5,44-32)19(2)11-30(37)41-28/h7-8,11,17,20-29,36H,1,9-10,12-16H2,2-6H3/b8-7-/t20-,21-,22+,23+,24-,25+,26-,27-,28+,29-,31+,32+,33-,34+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against synaptosome using [3H]PbTx-3				J Med Chem 48: 5613-38 (2005) Article DOI: 10.1021/jm050524f BindingDB Entry DOI: 10.7270/Q2V988V1
					More data for this Ligand-Target Pair