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BDBM50265618 CHEMBL495533::N'-[(3Z)-1-Butyl-6-methoxy-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide

SMILES: CCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccc(OC)cc12

InChI Key: InChIKey=WADRTXVLNHGPCZ-UHFFFAOYSA-N

Data: 2 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50265618   
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 1


(Homo sapiens (Human))
BDBM50265618
PNG
(CHEMBL495533 | N'-[(3Z)-1-Butyl-6-methoxy-2-oxo-1,...)
Show SMILES CCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccc(OC)cc12 |w:8.8|
Show InChI InChI=1S/C20H21N3O3/c1-3-4-12-23-17-13-15(26-2)10-11-16(17)18(20(23)25)21-22-19(24)14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3,(H,22,24)
PDB

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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
BindingDB Entry DOI: 10.7270/Q20G3M2X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50265618
PNG
(CHEMBL495533 | N'-[(3Z)-1-Butyl-6-methoxy-2-oxo-1,...)
Show SMILES CCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccc(OC)cc12 |w:8.8|
Show InChI InChI=1S/C20H21N3O3/c1-3-4-12-23-17-13-15(26-2)10-11-16(17)18(20(23)25)21-22-19(24)14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3,(H,22,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 85n/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB2 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay


J Med Chem 52: 433-44 (2009)


Article DOI: 10.1021/jm801353p
BindingDB Entry DOI: 10.7270/Q20G3M2X
More data for this
Ligand-Target Pair