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BDBM50377700 CHEMBL255681

SMILES: CC1CCCC(C)C1NC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCOCC1

InChI Key: InChIKey=DLOPBVUKEBCWFJ-UHFFFAOYSA-N

Data: 2 KI  2 EC50

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 = 50377700   
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))
BDBM50377700
PNG
(CHEMBL255681)
Show SMILES CC1CCCC(C)C1NC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCOCC1 |w:7.8,1.0,5.5|
Show InChI InChI=1S/C20H30N2O4S/c1-14-7-8-17(20(23)21-19-15(2)5-4-6-16(19)3)13-18(14)27(24,25)22-9-11-26-12-10-22/h7-8,13,15-16,19H,4-6,9-12H2,1-3H3,(H,21,23)
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PubMed
92n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human cloned CB2 receptor


Bioorg Med Chem Lett 18: 2830-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.006
BindingDB Entry DOI: 10.7270/Q2P2701M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50377700
PNG
(CHEMBL255681)
Show SMILES CC1CCCC(C)C1NC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCOCC1 |w:7.8,1.0,5.5|
Show InChI InChI=1S/C20H30N2O4S/c1-14-7-8-17(20(23)21-19-15(2)5-4-6-16(19)3)13-18(14)27(24,25)22-9-11-26-12-10-22/h7-8,13,15-16,19H,4-6,9-12H2,1-3H3,(H,21,23)
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470n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human cloned CB1 receptor


Bioorg Med Chem Lett 18: 2830-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.006
BindingDB Entry DOI: 10.7270/Q2P2701M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50377700
PNG
(CHEMBL255681)
Show SMILES CC1CCCC(C)C1NC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCOCC1 |w:7.8,1.0,5.5|
Show InChI InChI=1S/C20H30N2O4S/c1-14-7-8-17(20(23)21-19-15(2)5-4-6-16(19)3)13-18(14)27(24,25)22-9-11-26-12-10-22/h7-8,13,15-16,19H,4-6,9-12H2,1-3H3,(H,21,23)
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n/an/an/an/a 540n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 2830-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.006
BindingDB Entry DOI: 10.7270/Q2P2701M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50377700
PNG
(CHEMBL255681)
Show SMILES CC1CCCC(C)C1NC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCOCC1 |w:7.8,1.0,5.5|
Show InChI InChI=1S/C20H30N2O4S/c1-14-7-8-17(20(23)21-19-15(2)5-4-6-16(19)3)13-18(14)27(24,25)22-9-11-26-12-10-22/h7-8,13,15-16,19H,4-6,9-12H2,1-3H3,(H,21,23)
PDB

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PC sid
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PubMed
n/an/an/an/a 44n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor by [35S]GTP-gamma-S binding assay


Bioorg Med Chem Lett 18: 2830-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.006
BindingDB Entry DOI: 10.7270/Q2P2701M
More data for this
Ligand-Target Pair