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BDBM50395149 CHEMBL2163572

SMILES: CCC1COc2c(ccc3c2n1cc(C(=O)NC12CC4CC(CC(C4)C1)C2)c3=O)N1CCN(C)CC1

InChI Key: InChIKey=ADTNRWZCOMTXFC-UHFFFAOYSA-N

Data: 4 KI  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 5 hits for monomerid = 50395149   
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))
BDBM50395149
PNG
(CHEMBL2163572)
Show SMILES CCC1COc2c(ccc3c2n1cc(C(=O)NC12CC4CC(CC(C4)C1)C2)c3=O)N1CCN(C)CC1
Show InChI InChI=1S/C29H38N4O3/c1-3-21-17-36-27-24(32-8-6-31(2)7-9-32)5-4-22-25(27)33(21)16-23(26(22)34)28(35)30-29-13-18-10-19(14-29)12-20(11-18)15-29/h4-5,16,18-21H,3,6-15,17H2,1-2H3,(H,30,35)
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42n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cell membranes incubated for 60 mins by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50395149
PNG
(CHEMBL2163572)
Show SMILES CCC1COc2c(ccc3c2n1cc(C(=O)NC12CC4CC(CC(C4)C1)C2)c3=O)N1CCN(C)CC1
Show InChI InChI=1S/C29H38N4O3/c1-3-21-17-36-27-24(32-8-6-31(2)7-9-32)5-4-22-25(27)33(21)16-23(26(22)34)28(35)30-29-13-18-10-19(14-29)12-20(11-18)15-29/h4-5,16,18-21H,3,6-15,17H2,1-2H3,(H,30,35)
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61n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in Sprague-Dawley rat spleen by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50395149
PNG
(CHEMBL2163572)
Show SMILES CCC1COc2c(ccc3c2n1cc(C(=O)NC12CC4CC(CC(C4)C1)C2)c3=O)N1CCN(C)CC1
Show InChI InChI=1S/C29H38N4O3/c1-3-21-17-36-27-24(32-8-6-31(2)7-9-32)5-4-22-25(27)33(21)16-23(26(22)34)28(35)30-29-13-18-10-19(14-29)12-20(11-18)15-29/h4-5,16,18-21H,3,6-15,17H2,1-2H3,(H,30,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50395149
PNG
(CHEMBL2163572)
Show SMILES CCC1COc2c(ccc3c2n1cc(C(=O)NC12CC4CC(CC(C4)C1)C2)c3=O)N1CCN(C)CC1
Show InChI InChI=1S/C29H38N4O3/c1-3-21-17-36-27-24(32-8-6-31(2)7-9-32)5-4-22-25(27)33(21)16-23(26(22)34)28(35)30-29-13-18-10-19(14-29)12-20(11-18)15-29/h4-5,16,18-21H,3,6-15,17H2,1-2H3,(H,30,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cell membranes incubated for 90 mins by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50395149
PNG
(CHEMBL2163572)
Show SMILES CCC1COc2c(ccc3c2n1cc(C(=O)NC12CC4CC(CC(C4)C1)C2)c3=O)N1CCN(C)CC1
Show InChI InChI=1S/C29H38N4O3/c1-3-21-17-36-27-24(32-8-6-31(2)7-9-32)5-4-22-25(27)33(21)16-23(26(22)34)28(35)30-29-13-18-10-19(14-29)12-20(11-18)15-29/h4-5,16,18-21H,3,6-15,17H2,1-2H3,(H,30,35)
PDB

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PC sid
UniChem

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Article
PubMed
n/an/a 196n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cell membranes assessed as inhibition of forskolin-induced cAMP accumulation


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair