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BDBM50111553 CHEMBL3605033

SMILES: CCCCCCC(=O)c1cc(O)c(c(O)c1)-c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=VSCCLXDRDHVKHG-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 = 50111553   
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


(Homo sapiens (Human))
BDBM50111553
PNG
(CHEMBL3605033)
Show SMILES CCCCCCC(=O)c1cc(O)c(c(O)c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H20Cl2O3/c1-2-3-4-5-6-16(22)12-9-17(23)19(18(24)10-12)13-7-14(20)11-15(21)8-13/h7-11,23-24H,2-6H2,1H3
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB1 receptor (unknown origin) expressed in CHO cell membranes after 90 mins by liquid scintillation counting analys...


Bioorg Med Chem 23: 5390-401 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XF2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50111553
PNG
(CHEMBL3605033)
Show SMILES CCCCCCC(=O)c1cc(O)c(c(O)c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H20Cl2O3/c1-2-3-4-5-6-16(22)12-9-17(23)19(18(24)10-12)13-7-14(20)11-15(21)8-13/h7-11,23-24H,2-6H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB2 receptor (unknown origin) expressed in CHO cell membranes after 90 mins by liquid scintillation counting analys...


Bioorg Med Chem 23: 5390-401 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XF2
More data for this
Ligand-Target Pair