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BDBM50156097 CHEMBL3781991

SMILES: OCCCCn1c2ccc(cc2c(O)c(C(=O)NCc2ccc(F)cc2)c1=O)-c1ccco1

InChI Key: InChIKey=ARLQGGVYTDFMOP-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 = 50156097   
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))
BDBM50156097
PNG
(CHEMBL3781991)
Show SMILES OCCCCn1c2ccc(cc2c(O)c(C(=O)NCc2ccc(F)cc2)c1=O)-c1ccco1
Show InChI InChI=1S/C25H23FN2O5/c26-18-8-5-16(6-9-18)15-27-24(31)22-23(30)19-14-17(21-4-3-13-33-21)7-10-20(19)28(25(22)32)11-1-2-12-29/h3-10,13-14,29-30H,1-2,11-12,15H2,(H,27,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
253n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by Competition binding assay


J Med Chem 59: 1052-67 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25XB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50156097
PNG
(CHEMBL3781991)
Show SMILES OCCCCn1c2ccc(cc2c(O)c(C(=O)NCc2ccc(F)cc2)c1=O)-c1ccco1
Show InChI InChI=1S/C25H23FN2O5/c26-18-8-5-16(6-9-18)15-27-24(31)22-23(30)19-14-17(21-4-3-13-33-21)7-10-20(19)28(25(22)32)11-1-2-12-29/h3-10,13-14,29-30H,1-2,11-12,15H2,(H,27,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.58E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by Competition binding assay


J Med Chem 59: 1052-67 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25XB
More data for this
Ligand-Target Pair