BDBM50052448 CHEMBL107248::Cyclohexanecarboxylic acid (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-acetoxy-4a,7b-dihydroxy-3-[2-(4-hydroxy-3-methoxy-phenyl)-acetoxymethyl]-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl ester

SMILES: COc1cc(CC(=O)OCC2=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(C)=O)[C@H](OC(=O)C4CCCCC4)[C@@H](C)[C@]3(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)ccc1O

InChI Key: InChIKey=WIGWNAROOZOITM-WANVRZSZSA-N

Data: 1 KI

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 = 50052448   

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
Vanilloid receptor (Rattus norvegicus (rat))	BDBM50052448 (CHEMBL107248 | Cyclohexanecarboxylic acid (1aR,1bS...) Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(C)=O)[C@H](OC(=O)C4CCCCC4)[C@@H](C)[C@]3(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)ccc1O |t:10,40| Show InChI InChI=1S/C38H48O11/c1-20-14-29-36(44,32(20)42)18-24(19-47-30(41)17-23-12-13-27(40)28(16-23)46-6)15-26-31-35(4,5)38(31,49-22(3)39)33(21(2)37(26,29)45)48-34(43)25-10-8-7-9-11-25/h12-16,21,25-26,29,31,33,40,44-45H,7-11,17-19H2,1-6H3/t21-,26+,29-,31-,33-,36-,37-,38-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Displacement of [3H]RTX from Vanilloid receptor in Rat spinal cord membranes				J Med Chem 39: 3123-31 (1996) Article DOI: 10.1021/jm960063l BindingDB Entry DOI: 10.7270/Q2VT1SRD
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