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3 similar compounds to monomer 50073001

Compile data set for download or QSAR
Wt: 369.4
BDBM50073063
Wt: 383.4
BDBM50072998
Wt: 368.4
BDBM50073002

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50073063,50072998,50073002   
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))
BDBM50072998
PNG
(CHEMBL3410824)
Show SMILES CCCCCOc1c2C(=O)N(CCc3ccc(O)cc3)C(=O)c2ccc1OC
Show InChI InChI=1S/C22H25NO5/c1-3-4-5-14-28-20-18(27-2)11-10-17-19(20)22(26)23(21(17)25)13-12-15-6-8-16(24)9-7-15/h6-11,24H,3-5,12-14H2,1-2H3
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7.30n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50072998
PNG
(CHEMBL3410824)
Show SMILES CCCCCOc1c2C(=O)N(CCc3ccc(O)cc3)C(=O)c2ccc1OC
Show InChI InChI=1S/C22H25NO5/c1-3-4-5-14-28-20-18(27-2)11-10-17-19(20)22(26)23(21(17)25)13-12-15-6-8-16(24)9-7-15/h6-11,24H,3-5,12-14H2,1-2H3
PDB

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Article
PubMed
7.30n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50073063
PNG
(CHEMBL3410834)
Show SMILES CCCCCOc1c2CN(CCc3ccc(O)cc3)C(=O)c2ccc1OC
Show InChI InChI=1S/C22H27NO4/c1-3-4-5-14-27-21-19-15-23(13-12-16-6-8-17(24)9-7-16)22(25)18(19)10-11-20(21)26-2/h6-11,24H,3-5,12-15H2,1-2H3
PDB

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Article
PubMed
11n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50073063
PNG
(CHEMBL3410834)
Show SMILES CCCCCOc1c2CN(CCc3ccc(O)cc3)C(=O)c2ccc1OC
Show InChI InChI=1S/C22H27NO4/c1-3-4-5-14-27-21-19-15-23(13-12-16-6-8-17(24)9-7-16)22(25)18(19)10-11-20(21)26-2/h6-11,24H,3-5,12-15H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
CHEMBL
PC cid
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UniChem

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Article
PubMed
11n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50073002
PNG
(CHEMBL3410828)
Show SMILES CCCCCOc1c2CN(CCc3ccc(N)cc3)C(=O)c2ccc1OC
Show InChI InChI=1S/C22H28N2O3/c1-3-4-5-14-27-21-19-15-24(13-12-16-6-8-17(23)9-7-16)22(25)18(19)10-11-20(21)26-2/h6-11H,3-5,12-15,23H2,1-2H3
PDB

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Article
PubMed
14n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50073002
PNG
(CHEMBL3410828)
Show SMILES CCCCCOc1c2CN(CCc3ccc(N)cc3)C(=O)c2ccc1OC
Show InChI InChI=1S/C22H28N2O3/c1-3-4-5-14-27-21-19-15-24(13-12-16-6-8-17(23)9-7-16)22(25)18(19)10-11-20(21)26-2/h6-11H,3-5,12-15,23H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair