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BDBM50558426 CHEMBL4788348

SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O

InChI Key: InChIKey=BQMSKLCEWBSPPY-IKVTXIKFSA-N

Data: 4 EC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50558426   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50558426
PNG
(CHEMBL4788348)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-24,28-30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
KEGG
UniChem
PubMed
n/an/an/an/a 0.0320n/an/an/an/a



Janssen Research & Development, LLC

Curated by ChEMBL


Assay Description
Agonist activity at Go2-q-coupled human EBI2 expressed in COS7 cell membranes assessed as stimulation of [35S]GTPgammaS binding preincubated for 20 m...


Bioorg Med Chem Lett 26: 4888-4891 (2016)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50558426
PNG
(CHEMBL4788348)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-24,28-30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
KEGG
UniChem
PubMed
n/an/an/an/a 140n/an/an/an/a



Janssen Research & Development, LLC

Curated by ChEMBL


Assay Description
Agonist activity at Go2-q-coupled EBI2 (unknown origin) expressed in COS7 cell membranes assessed as stimulation of [35S]GTPgammaS binding preincubat...


Bioorg Med Chem Lett 26: 4888-4891 (2016)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Mus musculus)
BDBM50558426
PNG
(CHEMBL4788348)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-24,28-30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
KEGG
UniChem
PubMed
n/an/an/an/a 0.702n/an/an/an/a



Janssen Research & Development, LLC

Curated by ChEMBL


Assay Description
Agonist activity at Go2-q-coupled mouse EBI2 expressed in COS7 cell membranes assessed as stimulation of [35S]GTPgammaS binding preincubated for 20 m...


Bioorg Med Chem Lett 26: 4888-4891 (2016)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Rattus norvegicus)
BDBM50558426
PNG
(CHEMBL4788348)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-24,28-30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
KEGG
UniChem
PubMed
n/an/an/an/a 1.30n/an/an/an/a



Janssen Research & Development, LLC

Curated by ChEMBL


Assay Description
Agonist activity at Go2-q-coupled rat EBI2 expressed in COS7 cell membranes assessed as stimulation of [35S]GTPgammaS binding preincubated for 20 min...


Bioorg Med Chem Lett 26: 4888-4891 (2016)

More data for this
Ligand-Target Pair