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BDBM50232936 CHEMBL4071738

SMILES: O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(nn(C2CCCC2)c1=O)-c1ccccc1

InChI Key: InChIKey=RINTXKGYGCUYIV-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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 3 hits for monomerid = 50232936   
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))
BDBM50232936
PNG
(CHEMBL4071738)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(nn(C2CCCC2)c1=O)-c1ccccc1 |THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
Show InChI InChI=1S/C26H31N3O2/c30-24(27-26-14-17-10-18(15-26)12-19(11-17)16-26)22-13-23(20-6-2-1-3-7-20)28-29(25(22)31)21-8-4-5-9-21/h1-3,6-7,13,17-19,21H,4-5,8-12,14-16H2,(H,27,30)
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PubMed
4.40n/an/an/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...


Eur J Med Chem 127: 398-412 (2017)


BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50232936
PNG
(CHEMBL4071738)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(nn(C2CCCC2)c1=O)-c1ccccc1 |THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
Show InChI InChI=1S/C26H31N3O2/c30-24(27-26-14-17-10-18(15-26)12-19(11-17)16-26)22-13-23(20-6-2-1-3-7-20)28-29(25(22)31)21-8-4-5-9-21/h1-3,6-7,13,17-19,21H,4-5,8-12,14-16H2,(H,27,30)
PDB

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PC sid
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PubMed
245n/an/an/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...


Eur J Med Chem 127: 398-412 (2017)


BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50232936
PNG
(CHEMBL4071738)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(nn(C2CCCC2)c1=O)-c1ccccc1 |THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
Show InChI InChI=1S/C26H31N3O2/c30-24(27-26-14-17-10-18(15-26)12-19(11-17)16-26)22-13-23(20-6-2-1-3-7-20)28-29(25(22)31)21-8-4-5-9-21/h1-3,6-7,13,17-19,21H,4-5,8-12,14-16H2,(H,27,30)
PDB

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antibodypedia
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 55n/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB2 receptor expressed in HEK293 EBNA cell membranes after 30 mins by [35S]-GTPgammaS binding assay


Eur J Med Chem 127: 398-412 (2017)


BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair