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BDBM50152109 CHEMBL3781707

SMILES: Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCOCC2)c2Cc3cc(ccc3-c12)C1CC1

InChI Key: InChIKey=HLXNVPNDEUWPNO-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50152109   
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 2


(Homo sapiens (Human))
BDBM50152109
PNG
(CHEMBL3781707)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCOCC2)c2Cc3cc(ccc3-c12)C1CC1
Show InChI InChI=1S/C24H22Cl2N4O2/c25-17-4-6-21(20(26)13-17)30-23-18-5-3-15(14-1-2-14)11-16(18)12-19(23)22(27-30)24(31)28-29-7-9-32-10-8-29/h3-6,11,13-14H,1-2,7-10,12H2,(H,28,31)
PDB

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KEGG

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PC cid
PC sid
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Similars

PubMed
198n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Eur J Med Chem 112: 66-80 (2016)


BindingDB Entry DOI: 10.7270/Q24B336C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50152109
PNG
(CHEMBL3781707)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCOCC2)c2Cc3cc(ccc3-c12)C1CC1
Show InChI InChI=1S/C24H22Cl2N4O2/c25-17-4-6-21(20(26)13-17)30-23-18-5-3-15(14-1-2-14)11-16(18)12-19(23)22(27-30)24(31)28-29-7-9-32-10-8-29/h3-6,11,13-14H,1-2,7-10,12H2,(H,28,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
4.03E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Eur J Med Chem 112: 66-80 (2016)


BindingDB Entry DOI: 10.7270/Q24B336C
More data for this
Ligand-Target Pair