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BDBM50156029 CHEMBL3779996

SMILES: COCCOCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(F)cc12

InChI Key: InChIKey=ASHAGZNARVRZGL-REMYURHQSA-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 = 50156029   
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))
BDBM50156029
PNG
(CHEMBL3779996)
Show SMILES COCCOCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(F)cc12 |TLB:19:18:21:15.14.13,19:14:21:18.20.17,THB:17:18:15.16.21:13,17:16:13:18.20.19|
Show InChI InChI=1S/C29H35NO10S/c1-13(32)36-24-20(12-31)39-28(26(38-15(3)34)25(24)37-14(2)33)41-21-8-6-17-18-11-16-5-7-19(35)23-22(16)29(17,27(21)40-23)9-10-30(18)4/h5-8,17-18,20-21,24-28,31,35H,9-12H2,1-4H3/t17-,18+,20?,21?,24?,25?,26?,27-,28?,29-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
56n/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))
BDBM50156029
PNG
(CHEMBL3779996)
Show SMILES COCCOCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(F)cc12 |TLB:19:18:21:15.14.13,19:14:21:18.20.17,THB:17:18:15.16.21:13,17:16:13:18.20.19|
Show InChI InChI=1S/C29H35NO10S/c1-13(32)36-24-20(12-31)39-28(26(38-15(3)34)25(24)37-14(2)33)41-21-8-6-17-18-11-16-5-7-19(35)23-22(16)29(17,27(21)40-23)9-10-30(18)4/h5-8,17-18,20-21,24-28,31,35H,9-12H2,1-4H3/t17-,18+,20?,21?,24?,25?,26?,27-,28?,29-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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