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BDBM50193282 CHEMBL3949933

SMILES: Clc1ccc(c(Cl)c1)-n1nc(C(=O)NC[C@H]2CCCO2)c2CCCc3cc(Cl)ccc3-c12

InChI Key: InChIKey=NTGWADKXHYZEKX-QGZVFWFLSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50193282   
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


(Mus musculus (Mouse))
BDBM50193282
PNG
(CHEMBL3949933)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NC[C@H]2CCCO2)c2CCCc3cc(Cl)ccc3-c12 |r|
Show InChI InChI=1S/C24H22Cl3N3O2/c25-15-6-8-18-14(11-15)3-1-5-19-22(24(31)28-13-17-4-2-10-32-17)29-30(23(18)19)21-9-7-16(26)12-20(21)27/h6-9,11-12,17H,1-5,10,13H2,(H,28,31)/t17-/m1/s1
PDB

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PC cid
PC sid
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Similars

Article
PubMed
25n/an/an/an/an/an/an/an/a



Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from CB1 receptor in mouse whole brain membranes after 60 mins by liquid scintillation spectrometry


Eur J Med Chem 121: 194-208 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.011
BindingDB Entry DOI: 10.7270/Q2PR7XXB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50193282
PNG
(CHEMBL3949933)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NC[C@H]2CCCO2)c2CCCc3cc(Cl)ccc3-c12 |r|
Show InChI InChI=1S/C24H22Cl3N3O2/c25-15-6-8-18-14(11-15)3-1-5-19-22(24(31)28-13-17-4-2-10-32-17)29-30(23(18)19)21-9-7-16(26)12-20(21)27/h6-9,11-12,17H,1-5,10,13H2,(H,28,31)/t17-/m1/s1
PDB

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UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
52n/an/an/an/an/an/an/an/a



Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor transfected in CHO cell membranes after 60 mins by liquid scintillation spectrometry


Eur J Med Chem 121: 194-208 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.011
BindingDB Entry DOI: 10.7270/Q2PR7XXB
More data for this
Ligand-Target Pair