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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50056319'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50056319
PNG
(CHEMBL3322458)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCNC(=O)c1cccc(c1)C(=O)NCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C58H60Cl6N8O4/c1-37-51(69-71(49-28-26-45(61)35-47(49)63)53(37)39-18-22-43(59)23-19-39)57(75)67-32-13-9-5-3-7-11-30-65-55(73)41-16-15-17-42(34-41)56(74)66-31-12-8-4-6-10-14-33-68-58(76)52-38(2)54(40-20-24-44(60)25-21-40)72(70-52)50-29-27-46(62)36-48(50)64/h15-29,34-36H,3-14,30-33H2,1-2H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 1.35E+4n/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))
BDBM50056319
PNG
(CHEMBL3322458)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCNC(=O)c1cccc(c1)C(=O)NCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C58H60Cl6N8O4/c1-37-51(69-71(49-28-26-45(61)35-47(49)63)53(37)39-18-22-43(59)23-19-39)57(75)67-32-13-9-5-3-7-11-30-65-55(73)41-16-15-17-42(34-41)56(74)66-31-12-8-4-6-10-14-33-68-58(76)52-38(2)54(40-20-24-44(60)25-21-40)72(70-52)50-29-27-46(62)36-48(50)64/h15-29,34-36H,3-14,30-33H2,1-2H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.35E+4n/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