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BDBM50448075 CHEMBL1258979

SMILES: CC(C)=C[C@H]1C[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@]32C)O1

InChI Key: InChIKey=WQLADPPAYVUSAB-VSUSBFIXSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50448075   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
N-arachidonyl glycine receptor


(Homo sapiens (Human))
BDBM50448075
PNG
(CHEMBL1258979)
Show SMILES CC(C)=C[C@H]1C[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@]32C)O1 |r,wU:11.11,6.6,8.33,13.14,wD:16.17,27.32,4.3,(32.2,-12.88,;30.67,-12.87,;29.92,-11.54,;29.89,-14.18,;28.36,-14.17,;27.46,-12.9,;25.97,-13.36,;25.95,-11.85,;25.95,-14.93,;24.6,-15.69,;23.27,-14.91,;23.28,-13.37,;23.27,-11.84,;24.63,-12.61,;24.63,-11.06,;23.29,-10.28,;21.95,-11.05,;20.48,-10.57,;19.59,-11.84,;20.48,-13.08,;19.57,-14.32,;18.11,-13.84,;16.79,-14.61,;15.46,-13.84,;15.46,-12.31,;16.78,-11.54,;18.11,-12.3,;21.95,-12.6,;21.94,-14.13,;27.43,-15.42,)|
Show InChI InChI=1S/C28H37NO/c1-17(2)14-19-16-26(3)23-11-10-18-15-21-20-8-6-7-9-22(20)29-25(21)28(18,5)27(23,4)13-12-24(26)30-19/h6-9,14,18-19,23-24,29H,10-13,15-16H2,1-5H3/t18-,19-,23-,24-,26-,27-,28+/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 9.91E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inverse agonist activity at human GPR18 expressed in CHO cells assessed as inhibition of 7.5 uM THC-mediated beta-arrestin recruitment after 90 mins ...


J Nat Prod 77: 673-7 (2014)


Article DOI: 10.1021/np400850g
BindingDB Entry DOI: 10.7270/Q2154JJZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM50448075
PNG
(CHEMBL1258979)
Show SMILES CC(C)=C[C@H]1C[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@]32C)O1 |r,wU:11.11,6.6,8.33,13.14,wD:16.17,27.32,4.3,(32.2,-12.88,;30.67,-12.87,;29.92,-11.54,;29.89,-14.18,;28.36,-14.17,;27.46,-12.9,;25.97,-13.36,;25.95,-11.85,;25.95,-14.93,;24.6,-15.69,;23.27,-14.91,;23.28,-13.37,;23.27,-11.84,;24.63,-12.61,;24.63,-11.06,;23.29,-10.28,;21.95,-11.05,;20.48,-10.57,;19.59,-11.84,;20.48,-13.08,;19.57,-14.32,;18.11,-13.84,;16.79,-14.61,;15.46,-13.84,;15.46,-12.31,;16.78,-11.54,;18.11,-12.3,;21.95,-12.6,;21.94,-14.13,;27.43,-15.42,)|
Show InChI InChI=1S/C28H37NO/c1-17(2)14-19-16-26(3)23-11-10-18-15-21-20-8-6-7-9-22(20)29-25(21)28(18,5)27(23,4)13-12-24(26)30-19/h6-9,14,18-19,23-24,29H,10-13,15-16H2,1-5H3/t18-,19-,23-,24-,26-,27-,28+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR55 expressed in CHO cells assessed as inhibition of LPI-mediated beta-arrestin recruitment after 90 mins by beta-gala...


J Nat Prod 77: 673-7 (2014)


Article DOI: 10.1021/np400850g
BindingDB Entry DOI: 10.7270/Q2154JJZ
More data for this
Ligand-Target Pair