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BDBM50341018 CHEMBL1762288::N-(4-tert-butylphenyl)-4-(3,5-dichlorobenzoyl)-1,4-diazepane-1-carboxamide

SMILES: CC(C)(C)c1ccc(NC(=O)N2CCCN(CC2)C(=O)c2cc(Cl)cc(Cl)c2)cc1

InChI Key: InChIKey=HFOSMIYNMKJRQB-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50341018   
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))
BDBM50341018
PNG
(CHEMBL1762288 | N-(4-tert-butylphenyl)-4-(3,5-dich...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCCN(CC2)C(=O)c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C23H27Cl2N3O2/c1-23(2,3)17-5-7-20(8-6-17)26-22(30)28-10-4-9-27(11-12-28)21(29)16-13-18(24)15-19(25)14-16/h5-8,13-15H,4,9-12H2,1-3H3,(H,26,30)
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Article
PubMed
n/an/an/an/a 215n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production


Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50341018
PNG
(CHEMBL1762288 | N-(4-tert-butylphenyl)-4-(3,5-dich...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCCN(CC2)C(=O)c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C23H27Cl2N3O2/c1-23(2,3)17-5-7-20(8-6-17)26-22(30)28-10-4-9-27(11-12-28)21(29)16-13-18(24)15-19(25)14-16/h5-8,13-15H,4,9-12H2,1-3H3,(H,26,30)
PDB

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production


Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair