BindingDB logo
myBDB logout

BDBM50377705 CHEMBL442447

SMILES: CC(NC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=NMLQEDQDZYWDQL-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 = 50377705   
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))
BDBM50377705
PNG
(CHEMBL442447)
Show SMILES CC(NC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)C12CC3CC(CC(C3)C1)C2 |w:1.0,TLB:24:25:29:22.23.28,28:23:30:29.27.26,28:27:30:22.23.24,THB:24:23:29:30.25.26|
Show InChI InChI=1S/C24H34N2O4S/c1-16-3-4-21(12-22(16)31(28,29)26-5-7-30-8-6-26)23(27)25-17(2)24-13-18-9-19(14-24)11-20(10-18)15-24/h3-4,12,17-20H,5-11,13-15H2,1-2H3,(H,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.30n/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))
BDBM50377705
PNG
(CHEMBL442447)
Show SMILES CC(NC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)C12CC3CC(CC(C3)C1)C2 |w:1.0,TLB:24:25:29:22.23.28,28:23:30:29.27.26,28:27:30:22.23.24,THB:24:23:29:30.25.26|
Show InChI InChI=1S/C24H34N2O4S/c1-16-3-4-21(12-22(16)31(28,29)26-5-7-30-8-6-26)23(27)25-17(2)24-13-18-9-19(14-24)11-20(10-18)15-24/h3-4,12,17-20H,5-11,13-15H2,1-2H3,(H,25,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
77n/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))
BDBM50377705
PNG
(CHEMBL442447)
Show SMILES CC(NC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)C12CC3CC(CC(C3)C1)C2 |w:1.0,TLB:24:25:29:22.23.28,28:23:30:29.27.26,28:27:30:22.23.24,THB:24:23:29:30.25.26|
Show InChI InChI=1S/C24H34N2O4S/c1-16-3-4-21(12-22(16)31(28,29)26-5-7-30-8-6-26)23(27)25-17(2)24-13-18-9-19(14-24)11-20(10-18)15-24/h3-4,12,17-20H,5-11,13-15H2,1-2H3,(H,25,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 290n/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))
BDBM50377705
PNG
(CHEMBL442447)
Show SMILES CC(NC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)C12CC3CC(CC(C3)C1)C2 |w:1.0,TLB:24:25:29:22.23.28,28:23:30:29.27.26,28:27:30:22.23.24,THB:24:23:29:30.25.26|
Show InChI InChI=1S/C24H34N2O4S/c1-16-3-4-21(12-22(16)31(28,29)26-5-7-30-8-6-26)23(27)25-17(2)24-13-18-9-19(14-24)11-20(10-18)15-24/h3-4,12,17-20H,5-11,13-15H2,1-2H3,(H,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 9.30n/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