BindingDB logo
myBDB logout

BDBM50261358 19,20-Dihydroxyspongia-13(16),14-diene::CHEMBL512451

InChI string: InChI=1S/C20H30O3/c1-18(12-21)7-3-8-20(13-22)16(18)6-9-19(2)15-11-23-10-14(15)4-5-17(19)20/h10-11,16-17,21-22H,3-9,12-13H2,1-2H3/t16-,17-,18+,19-,20+/m0/s1

SMILES: C[C@]1(CO)CCC[C@@]2(CO)[C@H]1CC[C@]1(C)[C@@H]2CCc2cocc12

InChI Key: InChIKey=HJTMHDSGDBNZJV-UHZRXMQZSA-N

Data: 1 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 1 hit for monomerid = 50261358   
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)
BDBM50261358
PNG
(19,20-Dihydroxyspongia-13(16),14-diene | CHEMBL512...)
Show SMILES C[C@]1(CO)CCC[C@@]2(CO)[C@H]1CC[C@]1(C)[C@@H]2CCc2cocc12
Show InChI InChI=1S/C20H30O3/c1-18(12-21)7-3-8-20(13-22)16(18)6-9-19(2)15-11-23-10-14(15)4-5-17(19)20/h10-11,16-17,21-22H,3-9,12-13H2,1-2H3/t16-,17-,18+,19-,20+/m0/s1
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 6.00E+5n/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