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BDBM50156026 CHEMBL3781594

SMILES: COCCOCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C(C)C

InChI Key: InChIKey=IGVNKCIJORHOQN-LNWTWIFDSA-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 = 50156026   
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))
BDBM50156026
PNG
(CHEMBL3781594)
Show SMILES COCCOCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C(C)C
Show InChI InChI=1S/C31H37NO11S/c1-14(33)38-13-22-26(39-15(2)34)27(40-16(3)35)28(41-17(4)36)30(42-22)44-23-9-7-19-20-12-18-6-8-21(37)25-24(18)31(19,29(23)43-25)10-11-32(20)5/h6-9,19-20,22-23,26-30,37H,10-13H2,1-5H3/t19-,20+,22?,23?,26?,27?,28?,29-,30?,31-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
480n/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


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


(Homo sapiens (human))
BDBM50156026
PNG
(CHEMBL3781594)
Show SMILES COCCOCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C(C)C
Show InChI InChI=1S/C31H37NO11S/c1-14(33)38-13-22-26(39-15(2)34)27(40-16(3)35)28(41-17(4)36)30(42-22)44-23-9-7-19-20-12-18-6-8-21(37)25-24(18)31(19,29(23)43-25)10-11-32(20)5/h6-9,19-20,22-23,26-30,37H,10-13H2,1-5H3/t19-,20+,22?,23?,26?,27?,28?,29-,30?,31-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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


Citation and Details
More data for this
Ligand-Target Pair