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BDBM50222830 CHEMBL248014::N-(5-tert-butyl-3-(2-methoxyethyl)-4-methylthiazol-2(3H)-ylidene)-3-(trifluoromethyl)benzamide

SMILES: COCCn1c(C)c(s\c1=N/C(=O)c1cccc(c1)C(F)(F)F)C(C)(C)C

InChI Key: InChIKey=WOOLJWGVJCDMEU-QJOMJCCJSA-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 = 50222830   
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))
BDBM50222830
PNG
(CHEMBL248014 | N-(5-tert-butyl-3-(2-methoxyethyl)-...)
Show SMILES COCCn1c(C)c(s\c1=N/C(=O)c1cccc(c1)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C19H23F3N2O2S/c1-12-15(18(2,3)4)27-17(24(12)9-10-26-5)23-16(25)13-7-6-8-14(11-13)19(20,21)22/h6-8,11H,9-10H2,1-5H3/b23-17-
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Article
PubMed
n/an/a 10n/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
BindingDB Entry DOI: 10.7270/Q2PG1SJQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222830
PNG
(CHEMBL248014 | N-(5-tert-butyl-3-(2-methoxyethyl)-...)
Show SMILES COCCn1c(C)c(s\c1=N/C(=O)c1cccc(c1)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C19H23F3N2O2S/c1-12-15(18(2,3)4)27-17(24(12)9-10-26-5)23-16(25)13-7-6-8-14(11-13)19(20,21)22/h6-8,11H,9-10H2,1-5H3/b23-17-
PDB

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Article
PubMed
n/an/a 4.10E+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
BindingDB Entry DOI: 10.7270/Q2PG1SJQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222830
PNG
(CHEMBL248014 | N-(5-tert-butyl-3-(2-methoxyethyl)-...)
Show SMILES COCCn1c(C)c(s\c1=N/C(=O)c1cccc(c1)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C19H23F3N2O2S/c1-12-15(18(2,3)4)27-17(24(12)9-10-26-5)23-16(25)13-7-6-8-14(11-13)19(20,21)22/h6-8,11H,9-10H2,1-5H3/b23-17-
PDB

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Article
PubMed
n/an/an/an/a 5.60n/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
BindingDB Entry DOI: 10.7270/Q2PG1SJQ
More data for this
Ligand-Target Pair