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BDBM50265616 CHEMBL497183::N'-[(3Z)-1-Hexyl-6-methoxy-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide

SMILES: CCCCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccc(OC)cc12

InChI Key: InChIKey=JPFBMGPXKCTWDP-UHFFFAOYSA-N

Data: 2 KI  2 EC50

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 4 hits for monomerid = 50265616   
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))
BDBM50265616
PNG
(CHEMBL497183 | N'-[(3Z)-1-Hexyl-6-methoxy-2-oxo-1,...)
Show SMILES CCCCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccc(OC)cc12 |w:10.10|
Show InChI InChI=1S/C22H25N3O3/c1-3-4-5-9-14-25-19-15-17(28-2)12-13-18(19)20(22(25)27)23-24-21(26)16-10-7-6-8-11-16/h6-8,10-13,15H,3-5,9,14H2,1-2H3,(H,24,26)
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Article
PubMed
89.9n/an/an/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


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))
BDBM50265616
PNG
(CHEMBL497183 | N'-[(3Z)-1-Hexyl-6-methoxy-2-oxo-1,...)
Show SMILES CCCCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccc(OC)cc12 |w:10.10|
Show InChI InChI=1S/C22H25N3O3/c1-3-4-5-9-14-25-19-15-17(28-2)12-13-18(19)20(22(25)27)23-24-21(26)16-10-7-6-8-11-16/h6-8,10-13,15H,3-5,9,14H2,1-2H3,(H,24,26)
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Article
PubMed
89.9n/an/an/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [3H] 2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-5-(2-methyloctan-2-yl)phenol from human CB2 receptor expressed CHO-K1 cel...


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 1


(Homo sapiens (Human))
BDBM50265616
PNG
(CHEMBL497183 | N'-[(3Z)-1-Hexyl-6-methoxy-2-oxo-1,...)
Show SMILES CCCCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccc(OC)cc12 |w:10.10|
Show InChI InChI=1S/C22H25N3O3/c1-3-4-5-9-14-25-19-15-17(28-2)12-13-18(19)20(22(25)27)23-24-21(26)16-10-7-6-8-11-16/h6-8,10-13,15H,3-5,9,14H2,1-2H3,(H,24,26)
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))
BDBM50265616
PNG
(CHEMBL497183 | N'-[(3Z)-1-Hexyl-6-methoxy-2-oxo-1,...)
Show SMILES CCCCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccc(OC)cc12 |w:10.10|
Show InChI InChI=1S/C22H25N3O3/c1-3-4-5-9-14-25-19-15-17(28-2)12-13-18(19)20(22(25)27)23-24-21(26)16-10-7-6-8-11-16/h6-8,10-13,15H,3-5,9,14H2,1-2H3,(H,24,26)
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Article
PubMed
n/an/an/an/a 88.2n/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