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BDBM50341928 CHEMBL1765160::cis-(4-chlorophenyl)((4R,4aS,8aR)-4-hydroxy-4-phenyloctahydroquinolin-1(2H)-yl)methanone

SMILES: O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccc(Cl)cc1)c1ccccc1

InChI Key: InChIKey=OPLSUIUJWGFZEH-VWPQPMDRSA-N

Data: 2 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 2 hits for monomerid = 50341928   
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
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50341928
PNG
(CHEMBL1765160 | cis-(4-chlorophenyl)((4R,4aS,8aR)-...)
Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H24ClNO2/c23-18-12-10-16(11-13-18)21(25)24-15-14-22(26,17-6-2-1-3-7-17)19-8-4-5-9-20(19)24/h1-3,6-7,10-13,19-20,26H,4-5,8-9,14-15H2/t19-,20+,22-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50341928
PNG
(CHEMBL1765160 | cis-(4-chlorophenyl)((4R,4aS,8aR)-...)
Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H24ClNO2/c23-18-12-10-16(11-13-18)21(25)24-15-14-22(26,17-6-2-1-3-7-17)19-8-4-5-9-20(19)24/h1-3,6-7,10-13,19-20,26H,4-5,8-9,14-15H2/t19-,20+,22-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 312n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...


Bioorg Med Chem Lett 21: 2359-64 (2011)

More data for this
Ligand-Target Pair