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BDBM50261331 20-Acetoxy-19-hydroxyspongia-13(16),14-diene::CHEMBL512825

InChI string: InChI=1S/C22H32O4/c1-15(24)26-14-22-9-4-8-20(2,13-23)18(22)7-10-21(3)17-12-25-11-16(17)5-6-19(21)22/h11-12,18-19,23H,4-10,13-14H2,1-3H3/t18-,19-,20+,21-,22+/m0/s1

SMILES: CC(=O)OC[C@]12CCC[C@](C)(CO)[C@@H]1CC[C@]1(C)[C@@H]2CCc2cocc12

InChI Key: InChIKey=SMXDQQCBDPYKBT-BIRZXAFVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50261331   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Thyrotropin-releasing hormone receptor 2


(Rattus norvegicus)
BDBM50261331
PNG
(20-Acetoxy-19-hydroxyspongia-13(16),14-diene | CHE...)
Show SMILES CC(=O)OC[C@]12CCC[C@](C)(CO)[C@@H]1CC[C@]1(C)[C@@H]2CCc2cocc12
Show InChI InChI=1S/C22H32O4/c1-15(24)26-14-22-9-4-8-20(2,13-23)18(22)7-10-21(3)17-12-25-11-16(17)5-6-19(21)22/h11-12,18-19,23H,4-10,13-14H2,1-3H3/t18-,19-,20+,21-,22+/m0/s1
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]3-methylhistidyl-TRH from rat recombinant TRHR2 expressed in HEK2935 cells


J Nat Prod 71: 884-6 (2008)

More data for this
Ligand-Target Pair