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BDBM50222841 (Z)-3-bromo-N-(5-tert-butyl-3-(cyclopropylmethyl)-4-methylthiazol-2(3H)-ylidene)benzamide::CHEMBL247996

SMILES: Cc1c(s\c(=N/C(=O)c2cccc(Br)c2)n1CC1CC1)C(C)(C)C

InChI Key: InChIKey=NGBMQCUWIZPJCG-UZYVYHOESA-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 = 50222841   
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))
BDBM50222841
PNG
((Z)-3-bromo-N-(5-tert-butyl-3-(cyclopropylmethyl)-...)
Show SMILES Cc1c(s\c(=N/C(=O)c2cccc(Br)c2)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C19H23BrN2OS/c1-12-16(19(2,3)4)24-18(22(12)11-13-8-9-13)21-17(23)14-6-5-7-15(20)10-14/h5-7,10,13H,8-9,11H2,1-4H3/b21-18-
PDB

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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
BindingDB Entry DOI: 10.7270/Q2PG1SJQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222841
PNG
((Z)-3-bromo-N-(5-tert-butyl-3-(cyclopropylmethyl)-...)
Show SMILES Cc1c(s\c(=N/C(=O)c2cccc(Br)c2)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C19H23BrN2OS/c1-12-16(19(2,3)4)24-18(22(12)11-13-8-9-13)21-17(23)14-6-5-7-15(20)10-14/h5-7,10,13H,8-9,11H2,1-4H3/b21-18-
PDB

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Article
PubMed
n/an/an/an/a 0.300n/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))
BDBM50222841
PNG
((Z)-3-bromo-N-(5-tert-butyl-3-(cyclopropylmethyl)-...)
Show SMILES Cc1c(s\c(=N/C(=O)c2cccc(Br)c2)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C19H23BrN2OS/c1-12-16(19(2,3)4)24-18(22(12)11-13-8-9-13)21-17(23)14-6-5-7-15(20)10-14/h5-7,10,13H,8-9,11H2,1-4H3/b21-18-
PDB

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PC sid
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Patents


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Article
PubMed
n/an/a 53n/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