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BDBM50312841 CHEMBL1081609::US9139546, 30::[11C](3',5'-dichloro-2-hydroxy-6-methoxybiphenyl-4-yl)(thiophen-2-yl)methanone

SMILES: COc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1cccs1

InChI Key: InChIKey=MOBIXVNYQACBLX-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50312841   
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 (CB2)


(Rattus norvegicus (Rat))
BDBM50312841
PNG
(CHEMBL1081609 | US9139546, 30 | [11C](3',5'-dichlo...)
Show SMILES COc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1cccs1
Show InChI InChI=1S/C18H12Cl2O3S/c1-23-15-8-11(18(22)16-3-2-4-24-16)7-14(21)17(15)10-5-12(19)9-13(20)6-10/h2-9,21H,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to rat brain CB2 receptor


Bioorg Med Chem Lett 20: 1565-8 (2010)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50312841
PNG
(CHEMBL1081609 | US9139546, 30 | [11C](3',5'-dichlo...)
Show SMILES COc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1cccs1
Show InChI InChI=1S/C18H12Cl2O3S/c1-23-15-8-11(18(22)16-3-2-4-24-16)7-14(21)17(15)10-5-12(19)9-13(20)6-10/h2-9,21H,1H3
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KEGG

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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US Patent
2.32n/an/an/an/an/an/an/an/a



The University of Tennessee Research Foundation

US Patent


Assay Description
Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50312841
PNG
(CHEMBL1081609 | US9139546, 30 | [11C](3',5'-dichlo...)
Show SMILES COc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1cccs1
Show InChI InChI=1S/C18H12Cl2O3S/c1-23-15-8-11(18(22)16-3-2-4-24-16)7-14(21)17(15)10-5-12(19)9-13(20)6-10/h2-9,21H,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
503n/an/an/an/an/an/an/an/a



The University of Tennessee Research Foundation

US Patent


Assay Description
Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50312841
PNG
(CHEMBL1081609 | US9139546, 30 | [11C](3',5'-dichlo...)
Show SMILES COc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1cccs1
Show InChI InChI=1S/C18H12Cl2O3S/c1-23-15-8-11(18(22)16-3-2-4-24-16)7-14(21)17(15)10-5-12(19)9-13(20)6-10/h2-9,21H,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
503n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 20: 1565-8 (2010)

More data for this
Ligand-Target Pair