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BDBM50356547 CHEMBL1909855

SMILES: Cc1c(nn(c1-n1cccc1Cl)-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=VRWLAMGTOMOJCH-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 = 50356547   
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))
BDBM50356547
PNG
(CHEMBL1909855)
Show SMILES Cc1c(nn(c1-n1cccc1Cl)-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1 |(-6.94,-37.02,;-6.03,-38.27,;-4.49,-38.27,;-4.02,-39.73,;-5.27,-40.63,;-6.51,-39.73,;-7.98,-40.18,;-8.48,-41.64,;-10.02,-41.61,;-10.48,-40.14,;-9.22,-39.25,;-9.19,-37.71,;-5.27,-42.17,;-6.61,-42.94,;-6.61,-44.48,;-5.28,-45.25,;-5.28,-46.8,;-3.94,-44.48,;-2.6,-45.24,;-3.94,-42.94,;-3.59,-37.02,;-4.21,-35.61,;-2.05,-37.19,;-1.15,-35.94,;.39,-35.92,;1.17,-37.25,;2.7,-37.24,;3.46,-35.9,;5,-35.88,;2.67,-34.57,;3.42,-33.23,;1.14,-34.59,)|
Show InChI InChI=1S/C22H15Cl5N4O/c1-12-20(21(32)28-11-13-4-6-15(23)17(25)9-13)29-31(14-5-7-16(24)18(26)10-14)22(12)30-8-2-3-19(30)27/h2-10H,11H2,1H3,(H,28,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
53.9n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
BindingDB Entry DOI: 10.7270/Q2P55NXD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356547
PNG
(CHEMBL1909855)
Show SMILES Cc1c(nn(c1-n1cccc1Cl)-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1 |(-6.94,-37.02,;-6.03,-38.27,;-4.49,-38.27,;-4.02,-39.73,;-5.27,-40.63,;-6.51,-39.73,;-7.98,-40.18,;-8.48,-41.64,;-10.02,-41.61,;-10.48,-40.14,;-9.22,-39.25,;-9.19,-37.71,;-5.27,-42.17,;-6.61,-42.94,;-6.61,-44.48,;-5.28,-45.25,;-5.28,-46.8,;-3.94,-44.48,;-2.6,-45.24,;-3.94,-42.94,;-3.59,-37.02,;-4.21,-35.61,;-2.05,-37.19,;-1.15,-35.94,;.39,-35.92,;1.17,-37.25,;2.7,-37.24,;3.46,-35.9,;5,-35.88,;2.67,-34.57,;3.42,-33.23,;1.14,-34.59,)|
Show InChI InChI=1S/C22H15Cl5N4O/c1-12-20(21(32)28-11-13-4-6-15(23)17(25)9-13)29-31(14-5-7-16(24)18(26)10-14)22(12)30-8-2-3-19(30)27/h2-10H,11H2,1H3,(H,28,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
74.1n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
BindingDB Entry DOI: 10.7270/Q2P55NXD
More data for this
Ligand-Target Pair