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BDBM50056341 CHEMBL3322479

SMILES: Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNCc1ccc(cc1)C(=O)NCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=MBTCFQKJCJYBPJ-UHFFFAOYSA-N

Data: 2 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50056341   
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))
BDBM50056341
PNG
(CHEMBL3322479)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNCc1ccc(cc1)C(=O)NCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C50H46Cl6N8O3/c1-30-44(61-63(42-21-19-38(53)27-40(42)55)46(30)33-11-15-36(51)16-12-33)49(66)59-25-4-3-23-57-29-32-7-9-35(10-8-32)48(65)58-24-5-6-26-60-50(67)45-31(2)47(34-13-17-37(52)18-14-34)64(62-45)43-22-20-39(54)28-41(43)56/h7-22,27-28,57H,3-6,23-26,29H2,1-2H3,(H,58,65)(H,59,66)(H,60,67)
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Similars

Article
PubMed
n/an/an/an/a 1.91E+3n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...


Bioorg Med Chem Lett 24: 4209-14 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.038
BindingDB Entry DOI: 10.7270/Q26M38HV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50056341
PNG
(CHEMBL3322479)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNCc1ccc(cc1)C(=O)NCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C50H46Cl6N8O3/c1-30-44(61-63(42-21-19-38(53)27-40(42)55)46(30)33-11-15-36(51)16-12-33)49(66)59-25-4-3-23-57-29-32-7-9-35(10-8-32)48(65)58-24-5-6-26-60-50(67)45-31(2)47(34-13-17-37(52)18-14-34)64(62-45)43-22-20-39(54)28-41(43)56/h7-22,27-28,57H,3-6,23-26,29H2,1-2H3,(H,58,65)(H,59,66)(H,60,67)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.91E+3n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...


Bioorg Med Chem Lett 24: 4209-14 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.038
BindingDB Entry DOI: 10.7270/Q26M38HV
More data for this
Ligand-Target Pair