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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50298922'   
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))
BDBM50298922
PNG
(CHEMBL574499 | N-(4-Chlorobenzyl)1-(2,4-difluoroph...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NCc1ccc(Cl)cc1 |(9.22,-.5,;8.9,-2.01,;7.49,-2.63,;7.65,-4.17,;9.16,-4.49,;9.79,-5.89,;9.92,-3.15,;11.46,-2.99,;12.49,-4.14,;12.18,-5.64,;13.9,-3.52,;13.74,-1.98,;12.24,-1.65,;11.6,-.24,;10.07,-.08,;9.44,1.33,;10.35,2.57,;9.73,3.97,;11.89,2.41,;12.51,1,;14.05,.84,;15.24,-4.28,;15.24,-5.82,;16.58,-3.52,;17.91,-4.28,;19.24,-3.52,;19.24,-1.97,;20.58,-1.2,;21.91,-1.97,;23.25,-1.2,;21.91,-3.52,;20.58,-4.28,)|
Show InChI InChI=1S/C24H21ClF2N4O/c1-14-4-5-15(2)30(14)24-16(3)22(23(32)28-13-17-6-8-18(25)9-7-17)29-31(24)21-11-10-19(26)12-20(21)27/h4-12H,13H2,1-3H3,(H,28,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
56n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair