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BDBM50341919 ((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2H)-yl)(1H-indazol-4-yl)methanone::((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2H)-yl)(pyridin-2-yl)methanone::CHEMBL1765278

SMILES: OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cccc2[nH]ncc12)c1ccccc1

InChI Key: InChIKey=WHNNOHLGTSGBMC-SZUFIYSYSA-N

Data: 4 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 4 hits for monomerid = 50341919   
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))
BDBM50341919
PNG
(((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...)
Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cccc2[nH]ncc12)c1ccccc1 |r|
Show InChI InChI=1S/C23H25N3O2/c27-22(17-9-6-11-20-18(17)15-24-25-20)26-14-13-23(28,16-7-2-1-3-8-16)19-10-4-5-12-21(19)26/h1-3,6-9,11,15,19,21,28H,4-5,10,12-14H2,(H,24,25)/t19-,21+,23?/m1/s1
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PC sid
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Article
PubMed
n/an/a 4.90n/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)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50341919
PNG
(((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...)
Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cccc2[nH]ncc12)c1ccccc1 |r|
Show InChI InChI=1S/C23H25N3O2/c27-22(17-9-6-11-20-18(17)15-24-25-20)26-14-13-23(28,16-7-2-1-3-8-16)19-10-4-5-12-21(19)26/h1-3,6-9,11,15,19,21,28H,4-5,10,12-14H2,(H,24,25)/t19-,21+,23?/m1/s1
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n/an/a>1.70E+4n/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)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50341919
PNG
(((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...)
Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cccc2[nH]ncc12)c1ccccc1 |r|
Show InChI InChI=1S/C23H25N3O2/c27-22(17-9-6-11-20-18(17)15-24-25-20)26-14-13-23(28,16-7-2-1-3-8-16)19-10-4-5-12-21(19)26/h1-3,6-9,11,15,19,21,28H,4-5,10,12-14H2,(H,24,25)/t19-,21+,23?/m1/s1
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n/an/a 4.25E+3n/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)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341919
PNG
(((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...)
Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cccc2[nH]ncc12)c1ccccc1 |r|
Show InChI InChI=1S/C23H25N3O2/c27-22(17-9-6-11-20-18(17)15-24-25-20)26-14-13-23(28,16-7-2-1-3-8-16)19-10-4-5-12-21(19)26/h1-3,6-9,11,15,19,21,28H,4-5,10,12-14H2,(H,24,25)/t19-,21+,23?/m1/s1
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Article
PubMed
n/an/a 1.60n/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)


Article DOI: 10.1016/j.bmcl.2011.02.078
BindingDB Entry DOI: 10.7270/Q2M90901
More data for this
Ligand-Target Pair