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BDBM50320183 CHEMBL1086493::rac-N-(7'-(2-chlorophenyl)-6'-(4-chlorophenyl)-3',4'-dihydrospiro[cyclohexane-1,2'-pyrano[2,3-b]pyridine]-4'-yl)acetamide

SMILES: CC(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1

InChI Key: InChIKey=WNEJQZXNUUXBPY-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50320183   
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))
BDBM50320183
PNG
(CHEMBL1086493 | rac-N-(7'-(2-chlorophenyl)-6'-(4-c...)
Show SMILES CC(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H26Cl2N2O2/c1-17(32)30-24-16-27(13-5-2-6-14-27)33-26-22(24)15-21(18-9-11-19(28)12-10-18)25(31-26)20-7-3-4-8-23(20)29/h3-4,7-12,15,24H,2,5-6,13-14,16H2,1H3,(H,30,32)
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PC cid
PC sid
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Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320183
PNG
(CHEMBL1086493 | rac-N-(7'-(2-chlorophenyl)-6'-(4-c...)
Show SMILES CC(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H26Cl2N2O2/c1-17(32)30-24-16-27(13-5-2-6-14-27)33-26-22(24)15-21(18-9-11-19(28)12-10-18)25(31-26)20-7-3-4-8-23(20)29/h3-4,7-12,15,24H,2,5-6,13-14,16H2,1H3,(H,30,32)
PDB

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair