BindingDB logo
myBDB logout

BDBM50375382 CHEMBL410014

SMILES: Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CC1)C(C)(C)C

InChI Key: InChIKey=PABOWKPYVAFTRN-PCLIKHOPSA-N

Data: 3 IC50  1 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 = 50375382   
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))
BDBM50375382
PNG
(CHEMBL410014)
Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C20H23F4N3O/c1-19(2,3)15-10-16(27(26(15)4)11-12-8-9-12)25-18(28)13-6-5-7-14(17(13)21)20(22,23)24/h5-7,10,12H,8-9,11H2,1-4H3/b25-16+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.80n/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


Bioorg Med Chem 16: 1111-24 (2008)


Article DOI: 10.1016/j.bmc.2007.10.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375382
PNG
(CHEMBL410014)
Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C20H23F4N3O/c1-19(2,3)15-10-16(27(26(15)4)11-12-8-9-12)25-18(28)13-6-5-7-14(17(13)21)20(22,23)24/h5-7,10,12H,8-9,11H2,1-4H3/b25-16+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem 16: 1111-24 (2008)


Article DOI: 10.1016/j.bmc.2007.10.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50375382
PNG
(CHEMBL410014)
Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C20H23F4N3O/c1-19(2,3)15-10-16(27(26(15)4)11-12-8-9-12)25-18(28)13-6-5-7-14(17(13)21)20(22,23)24/h5-7,10,12H,8-9,11H2,1-4H3/b25-16+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem 16: 1111-24 (2008)


Article DOI: 10.1016/j.bmc.2007.10.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50375382
PNG
(CHEMBL410014)
Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C20H23F4N3O/c1-19(2,3)15-10-16(27(26(15)4)11-12-8-9-12)25-18(28)13-6-5-7-14(17(13)21)20(22,23)24/h5-7,10,12H,8-9,11H2,1-4H3/b25-16+
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat spleen membrane


Bioorg Med Chem 16: 1111-24 (2008)


Article DOI: 10.1016/j.bmc.2007.10.087
More data for this
Ligand-Target Pair