BDBM50305282 CHEMBL594895::[(1R,2R,6R,10S,11R,13S,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-(prop-1-en-2-yl)-12,14,18-trioxapentacyclo[11.4.1.0^{1,10}.0^{2,6}.0^{11,15}]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-3-methoxyphenyl)propanoate

SMILES: COc1cc(ccc1O)C(C)C(=O)OCC1=C[C@H]2[C@H]3O[C@]4(Cc5ccccc5)O[C@]3(C[C@@H](C)[C@]2(O4)[C@@H]2C=C(C)C(=O)[C@@]2(O)C1)C(C)=C

InChI Key: InChIKey=QKSRTJSCISHWOH-YTUQFEGYSA-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 = 50305282   

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
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50305282 (CHEMBL594895 | [(1R,2R,6R,10S,11R,13S,15R,17R)-13-...) Show SMILES COc1cc(ccc1O)C(C)C(=O)OCC1=C[C@H]2[C@H]3O[C@]4(Cc5ccccc5)O[C@]3(C[C@@H](C)[C@]2(O4)[C@@H]2C=C(C)C(=O)[C@@]2(O)C1)C(C)=C |r,t:16,41,TLB:21:20:17:30.31.29,THB:28:20:17:30.31.29| Show InChI InChI=1S/C38H42O9/c1-21(2)36-17-23(4)38-28(33(36)45-37(46-36,47-38)19-25-10-8-7-9-11-25)15-26(18-35(42)31(38)14-22(3)32(35)40)20-44-34(41)24(5)27-12-13-29(39)30(16-27)43-6/h7-16,23-24,28,31,33,39,42H,1,17-20H2,2-6H3/t23-,24?,28+,31-,33-,35-,36-,37-,38-/m1/s1	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	980	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Agonist activity at human TRPV1 expressed in HEK293 cells assessed as increase in intracellular calcium level				Bioorg Med Chem Lett 20: 97-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.035 BindingDB Entry DOI: 10.7270/Q2W37X84
					More data for this Ligand-Target Pair