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BDBM50382751 CHEMBL2023047

SMILES: OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O

InChI Key: InChIKey=RZPQNQHLKGKIQH-DEOSSOPVSA-N

Data: 2 KI  2 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 = 50382751   
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))
BDBM50382751
PNG
(CHEMBL2023047)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O |r|
Show InChI InChI=1S/C28H36N2O4/c31-26(29-24(28(33)34)17-20-11-5-3-6-12-20)23-18-22-15-9-1-2-10-16-25(22)30(27(23)32)19-21-13-7-4-8-14-21/h3,5-6,11-12,18,21,24H,1-2,4,7-10,13-17,19H2,(H,29,31)(H,33,34)/t24-/m0/s1
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Article
PubMed
33n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor membrane fractions


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50382751
PNG
(CHEMBL2023047)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O |r|
Show InChI InChI=1S/C28H36N2O4/c31-26(29-24(28(33)34)17-20-11-5-3-6-12-20)23-18-22-15-9-1-2-10-16-25(22)30(27(23)32)19-21-13-7-4-8-14-21/h3,5-6,11-12,18,21,24H,1-2,4,7-10,13-17,19H2,(H,29,31)(H,33,34)/t24-/m0/s1
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PubMed
738n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor membrane fractions


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50382751
PNG
(CHEMBL2023047)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O |r|
Show InChI InChI=1S/C28H36N2O4/c31-26(29-24(28(33)34)17-20-11-5-3-6-12-20)23-18-22-15-9-1-2-10-16-25(22)30(27(23)32)19-21-13-7-4-8-14-21/h3,5-6,11-12,18,21,24H,1-2,4,7-10,13-17,19H2,(H,29,31)(H,33,34)/t24-/m0/s1
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Article
PubMed
n/an/a 126n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as increase in forskolin-induced cAMP levels after 20 mins


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50382751
PNG
(CHEMBL2023047)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O |r|
Show InChI InChI=1S/C28H36N2O4/c31-26(29-24(28(33)34)17-20-11-5-3-6-12-20)23-18-22-15-9-1-2-10-16-25(22)30(27(23)32)19-21-13-7-4-8-14-21/h3,5-6,11-12,18,21,24H,1-2,4,7-10,13-17,19H2,(H,29,31)(H,33,34)/t24-/m0/s1
PDB

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Reactome pathway
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PC sid
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Article
PubMed
n/an/a 297n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells assessed as increase in forskolin-induced cAMP levels after 20 mins


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair