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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 = 'BDBM50298935'   
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))
BDBM50298935
PNG
(CHEMBL575382 | N-(Adamant-1-yl)1-(3,4-dichlorophen...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:23:24:27:31.30.29,THB:23:24:27.26.31:29,25:26:29:33.24.32,25:24:27.26.31:29,32:24:27:31.30.29,32:30:27:33.25.24,(1.92,-40.22,;2.36,-38.57,;3.89,-38.49,;4.29,-36.99,;3,-36.16,;2.91,-34.62,;1.8,-37.13,;.31,-36.74,;-.25,-35.29,;.6,-34,;-1.79,-35.38,;-2.19,-36.87,;-.89,-37.71,;-.8,-39.25,;-2.1,-40.09,;-2.01,-41.63,;-.64,-42.33,;-.55,-43.87,;.65,-41.48,;2.03,-42.18,;.57,-39.95,;-2.76,-34.18,;-2.21,-32.74,;-4.28,-34.43,;-5.25,-33.23,;-6.2,-34.42,;-7.52,-33.9,;-8.92,-34.29,;-7.8,-33.1,;-7.81,-31.71,;-6.55,-31.26,;-7.52,-32.42,;-5.24,-31.8,;-6.56,-33.55,)|
Show InChI InChI=1S/C27H30Cl2N4O/c1-15-4-5-16(2)32(15)26-17(3)24(31-33(26)21-6-7-22(28)23(29)11-21)25(34)30-27-12-18-8-19(13-27)10-20(9-18)14-27/h4-7,11,18-20H,8-10,12-14H2,1-3H3,(H,30,34)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.60n/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