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BDBM50222835 CHEMBL248387::N-(5-tert-butyl-3-(cyclopropylmethyl)-4-methylthiazol-2(3H)-ylidene)-2-(dimethylamino)-5-(trifluoromethyl)benzamide

SMILES: CN(C)c1ccc(cc1C(=O)\N=c1/sc(c(C)n1CC1CC1)C(C)(C)C)C(F)(F)F

InChI Key: InChIKey=BLBIJEGJALRLOC-QOMWVZHYSA-N

Data: 2 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50222835   
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))
BDBM50222835
PNG
(CHEMBL248387 | N-(5-tert-butyl-3-(cyclopropylmethy...)
Show SMILES CN(C)c1ccc(cc1C(=O)\N=c1/sc(c(C)n1CC1CC1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C22H28F3N3OS/c1-13-18(21(2,3)4)30-20(28(13)12-14-7-8-14)26-19(29)16-11-15(22(23,24)25)9-10-17(16)27(5)6/h9-11,14H,7-8,12H2,1-6H3/b26-20-
PDB

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Article
PubMed
n/an/a 9.40n/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 2


(Homo sapiens (Human))
BDBM50222835
PNG
(CHEMBL248387 | N-(5-tert-butyl-3-(cyclopropylmethy...)
Show SMILES CN(C)c1ccc(cc1C(=O)\N=c1/sc(c(C)n1CC1CC1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C22H28F3N3OS/c1-13-18(21(2,3)4)30-20(28(13)12-14-7-8-14)26-19(29)16-11-15(22(23,24)25)9-10-17(16)27(5)6/h9-11,14H,7-8,12H2,1-6H3/b26-20-
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Article
PubMed
n/an/an/an/a 7.30n/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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222835
PNG
(CHEMBL248387 | N-(5-tert-butyl-3-(cyclopropylmethy...)
Show SMILES CN(C)c1ccc(cc1C(=O)\N=c1/sc(c(C)n1CC1CC1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C22H28F3N3OS/c1-13-18(21(2,3)4)30-20(28(13)12-14-7-8-14)26-19(29)16-11-15(22(23,24)25)9-10-17(16)27(5)6/h9-11,14H,7-8,12H2,1-6H3/b26-20-
PDB

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Article
PubMed
n/an/a>1.00E+4n/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