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BDBM50377704 CHEMBL255096

SMILES: Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N[C@H]1CC2CC[C@@]1(C)C2(C)C

InChI Key: InChIKey=SAJLLMGPNQDUBM-BRPLTFKJSA-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 = 50377704   
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))
BDBM50377704
PNG
(CHEMBL255096)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N[C@H]1CC2CC[C@@]1(C)C2(C)C |w:21.23,TLB:18:19:23.22:26|
Show InChI InChI=1S/C22H32N2O4S/c1-15-5-6-16(13-18(15)29(26,27)24-9-11-28-12-10-24)20(25)23-19-14-17-7-8-22(19,4)21(17,2)3/h5-6,13,17,19H,7-12,14H2,1-4H3,(H,23,25)/t17?,19-,22+/m0/s1
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8.10n/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))
BDBM50377704
PNG
(CHEMBL255096)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N[C@H]1CC2CC[C@@]1(C)C2(C)C |w:21.23,TLB:18:19:23.22:26|
Show InChI InChI=1S/C22H32N2O4S/c1-15-5-6-16(13-18(15)29(26,27)24-9-11-28-12-10-24)20(25)23-19-14-17-7-8-22(19,4)21(17,2)3/h5-6,13,17,19H,7-12,14H2,1-4H3,(H,23,25)/t17?,19-,22+/m0/s1
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50n/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 2


(Homo sapiens (Human))
BDBM50377704
PNG
(CHEMBL255096)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N[C@H]1CC2CC[C@@]1(C)C2(C)C |w:21.23,TLB:18:19:23.22:26|
Show InChI InChI=1S/C22H32N2O4S/c1-15-5-6-16(13-18(15)29(26,27)24-9-11-28-12-10-24)20(25)23-19-14-17-7-8-22(19,4)21(17,2)3/h5-6,13,17,19H,7-12,14H2,1-4H3,(H,23,25)/t17?,19-,22+/m0/s1
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n/an/an/an/a 14n/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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50377704
PNG
(CHEMBL255096)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N[C@H]1CC2CC[C@@]1(C)C2(C)C |w:21.23,TLB:18:19:23.22:26|
Show InChI InChI=1S/C22H32N2O4S/c1-15-5-6-16(13-18(15)29(26,27)24-9-11-28-12-10-24)20(25)23-19-14-17-7-8-22(19,4)21(17,2)3/h5-6,13,17,19H,7-12,14H2,1-4H3,(H,23,25)/t17?,19-,22+/m0/s1
PDB

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Reactome pathway
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PC sid
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Article
PubMed
n/an/an/an/a 210n/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