BindingDB logo
myBDB logout

BDBM50222834 CHEMBL398713::N-(5-tert-butyl-3-(cyclopropylmethyl)-4-methylthiazol-2(3H)-ylidene)-2-methoxy-5-(trifluoromethyl)benzamide

SMILES: COc1ccc(cc1C(=O)\N=c1/sc(c(C)n1CC1CC1)C(C)(C)C)C(F)(F)F

InChI Key: InChIKey=UBYJCLVXLMEREE-PLRJNAJWSA-N

Data: 2 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 3 hits for monomerid = 50222834   
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 1


(Homo sapiens (Human))
BDBM50222834
PNG
(CHEMBL398713 | N-(5-tert-butyl-3-(cyclopropylmethy...)
Show SMILES COc1ccc(cc1C(=O)\N=c1/sc(c(C)n1CC1CC1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C21H25F3N2O2S/c1-12-17(20(2,3)4)29-19(26(12)11-13-6-7-13)25-18(27)15-10-14(21(22,23)24)8-9-16(15)28-5/h8-10,13H,6-7,11H2,1-5H3/b25-19-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6299-304 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222834
PNG
(CHEMBL398713 | N-(5-tert-butyl-3-(cyclopropylmethy...)
Show SMILES COc1ccc(cc1C(=O)\N=c1/sc(c(C)n1CC1CC1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C21H25F3N2O2S/c1-12-17(20(2,3)4)29-19(26(12)11-13-6-7-13)25-18(27)15-10-14(21(22,23)24)8-9-16(15)28-5/h8-10,13H,6-7,11H2,1-5H3/b25-19-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6299-304 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.004
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222834
PNG
(CHEMBL398713 | N-(5-tert-butyl-3-(cyclopropylmethy...)
Show SMILES COc1ccc(cc1C(=O)\N=c1/sc(c(C)n1CC1CC1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C21H25F3N2O2S/c1-12-17(20(2,3)4)29-19(26(12)11-13-6-7-13)25-18(27)15-10-14(21(22,23)24)8-9-16(15)28-5/h8-10,13H,6-7,11H2,1-5H3/b25-19-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 0.620n/an/an/an/a



Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6299-304 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.004
More data for this
Ligand-Target Pair