BindingDB logo
myBDB logout

null

SMILES: CC1(C)C(C(=O)c2cn(CCc3nsc(Cl)n3)c3ccccc23)C1(C)C

InChI Key: InChIKey=MQXCAMSGAGAYKD-UHFFFAOYSA-N

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 = 50303550   
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))
BDBM50303550
PNG
((1-(2-(5-Chloro-1,2,4-thiadiazol-3-yl)ethyl)-1H-in...)
Show SMILES CC1(C)C(C(=O)c2cn(CCc3nsc(Cl)n3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C20H22ClN3OS/c1-19(2)17(20(19,3)4)16(25)13-11-24(14-8-6-5-7-12(13)14)10-9-15-22-18(21)26-23-15/h5-8,11,17H,9-10H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 53: 295-315 (2010)


Article DOI: 10.1021/jm901214q
BindingDB Entry DOI: 10.7270/Q2KD1Z00
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50303550
PNG
((1-(2-(5-Chloro-1,2,4-thiadiazol-3-yl)ethyl)-1H-in...)
Show SMILES CC1(C)C(C(=O)c2cn(CCc3nsc(Cl)n3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C20H22ClN3OS/c1-19(2)17(20(19,3)4)16(25)13-11-24(14-8-6-5-7-12(13)14)10-9-15-22-18(21)26-23-15/h5-8,11,17H,9-10H2,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.20E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells


J Med Chem 53: 295-315 (2010)


Article DOI: 10.1021/jm901214q
BindingDB Entry DOI: 10.7270/Q2KD1Z00
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50303550
PNG
((1-(2-(5-Chloro-1,2,4-thiadiazol-3-yl)ethyl)-1H-in...)
Show SMILES CC1(C)C(C(=O)c2cn(CCc3nsc(Cl)n3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C20H22ClN3OS/c1-19(2)17(20(19,3)4)16(25)13-11-24(14-8-6-5-7-12(13)14)10-9-15-22-18(21)26-23-15/h5-8,11,17H,9-10H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 109n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells coexpressing Galphaq/o5 assessed as calcium mobilization by FLIPR assay


J Med Chem 53: 295-315 (2010)


Article DOI: 10.1021/jm901214q
BindingDB Entry DOI: 10.7270/Q2KD1Z00
More data for this
Ligand-Target Pair