new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50042249   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50308537
PNG
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H28N2O4/c1-3-4-8-15-30-22-20(29-2)12-11-18-16-19(24(28)26-21(18)22)23(27)25-14-13-17-9-6-5-7-10-17/h5-7,9-12,16H,3-4,8,13-15H2,1-2H3,(H,25,27)(H,26,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.630n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50308539
PNG
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCCc3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C25H30N2O4/c1-3-4-8-16-31-23-21(30-2)14-13-19-17-20(25(29)27-22(19)23)24(28)26-15-9-12-18-10-6-5-7-11-18/h5-7,10-11,13-14,17H,3-4,8-9,12,15-16H2,1-2H3,(H,26,28)(H,27,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.790n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50422837
PNG
(CHEMBL382676)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(N)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H29N3O4/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)27-21(17)22)23(28)26-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14,25H2,1-2H3,(H,26,28)(H,27,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50308538
PNG
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(Cl)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H27ClN2O4/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)27-21(17)22)23(28)26-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,26,28)(H,27,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50422834
PNG
(CHEMBL204387)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(O)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H28N2O5/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)26-21(17)22)23(28)25-13-12-16-6-9-18(27)10-7-16/h6-11,15,27H,3-5,12-14H2,1-2H3,(H,25,28)(H,26,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50422836
PNG
(CHEMBL206492)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)Nc3ccccc3N)c(=O)[nH]c12
Show InChI InChI=1S/C22H25N3O4/c1-3-4-7-12-29-20-18(28-2)11-10-14-13-15(22(27)25-19(14)20)21(26)24-17-9-6-5-8-16(17)23/h5-6,8-11,13H,3-4,7,12,23H2,1-2H3,(H,24,26)(H,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50422831
PNG
(CHEMBL381313)
Show SMILES CCCCCOc1c(OC)ccc2cc(NC(=O)Cc3ccc4OCOc4c3)c(=O)[nH]c12
Show InChI InChI=1S/C24H26N2O6/c1-3-4-5-10-30-23-19(29-2)9-7-16-13-17(24(28)26-22(16)23)25-21(27)12-15-6-8-18-20(11-15)32-14-31-18/h6-9,11,13H,3-5,10,12,14H2,1-2H3,(H,25,27)(H,26,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM85739
PNG
(CHEMBL178372 | JTE-907 | N-(1,3-Benzodioxole-5-ylm...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)[nH]c12
Show InChI InChI=1S/C24H26N2O6/c1-3-4-5-10-30-22-19(29-2)9-7-16-12-17(24(28)26-21(16)22)23(27)25-13-15-6-8-18-20(11-15)32-14-31-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50422829
PNG
(CHEMBL381969)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3c[nH]c4ccccc34)c(=O)[nH]c12
Show InChI InChI=1S/C26H29N3O4/c1-3-4-7-14-33-24-22(32-2)11-10-17-15-20(26(31)29-23(17)24)25(30)27-13-12-18-16-28-21-9-6-5-8-19(18)21/h5-6,8-11,15-16,28H,3-4,7,12-14H2,1-2H3,(H,27,30)(H,29,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50422833
PNG
(CHEMBL202852)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C23H26N2O4/c1-3-4-8-13-29-21-19(28-2)12-11-17-14-18(23(27)25-20(17)21)22(26)24-15-16-9-6-5-7-10-16/h5-7,9-12,14H,3-4,8,13,15H2,1-2H3,(H,24,26)(H,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 63n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50422830
PNG
(CHEMBL201989)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(cc3)[N+]([O-])=O)c(=O)[nH]c12
Show InChI InChI=1S/C24H27N3O6/c1-3-4-5-14-33-22-20(32-2)11-8-17-15-19(24(29)26-21(17)22)23(28)25-13-12-16-6-9-18(10-7-16)27(30)31/h6-11,15H,3-5,12-14H2,1-2H3,(H,25,28)(H,26,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50422832
PNG
(CHEMBL203560)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(O)c(O)c3)c(=O)[nH]c12
Show InChI InChI=1S/C24H28N2O6/c1-3-4-5-12-32-22-20(31-2)9-7-16-14-17(24(30)26-21(16)22)23(29)25-11-10-15-6-8-18(27)19(28)13-15/h6-9,13-14,27-28H,3-5,10-12H2,1-2H3,(H,25,29)(H,26,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 398n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50422835
PNG
(CHEMBL204760)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc(O)c(O)c3)c(=O)[nH]c12
Show InChI InChI=1S/C23H26N2O6/c1-3-4-5-10-31-21-19(30-2)9-7-15-12-16(23(29)25-20(15)21)22(28)24-13-14-6-8-17(26)18(27)11-14/h6-9,11-12,26-27H,3-5,10,13H2,1-2H3,(H,24,28)(H,25,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.98E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
More data for this
Ligand-Target Pair