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BDBM50246638 CHEMBL472897::N-(1H-indazol-5-yl)icosa-5,8,11,14-tetraenamide

SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1ccc2[nH]ncc2c1

InChI Key: InChIKey=UYWJHPBUSXDXOJ-DOFZRALJSA-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 4 hits for monomerid = 50246638   
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))
BDBM50246638
PNG
(CHEMBL472897 | N-(1H-indazol-5-yl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)29-25-20-21-26-24(22-25)23-28-30-26/h6-7,9-10,12-13,15-16,20-23H,2-5,8,11,14,17-19H2,1H3,(H,28,30)(H,29,31)/b7-6-,10-9-,13-12-,16-15-
PDB

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PC cid
PC sid
UniChem
Article
PubMed
300n/an/an/an/an/an/an/an/a



Martin-Luther-Universitaet

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 51: 7800-5 (2008)


Article DOI: 10.1021/jm800807k
BindingDB Entry DOI: 10.7270/Q2ST7PPX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50246638
PNG
(CHEMBL472897 | N-(1H-indazol-5-yl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)29-25-20-21-26-24(22-25)23-28-30-26/h6-7,9-10,12-13,15-16,20-23H,2-5,8,11,14,17-19H2,1H3,(H,28,30)(H,29,31)/b7-6-,10-9-,13-12-,16-15-
PDB

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1.00E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universitaet

Curated by ChEMBL


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


J Med Chem 51: 7800-5 (2008)


Article DOI: 10.1021/jm800807k
BindingDB Entry DOI: 10.7270/Q2ST7PPX
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50246638
PNG
(CHEMBL472897 | N-(1H-indazol-5-yl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)29-25-20-21-26-24(22-25)23-28-30-26/h6-7,9-10,12-13,15-16,20-23H,2-5,8,11,14,17-19H2,1H3,(H,28,30)(H,29,31)/b7-6-,10-9-,13-12-,16-15-
PDB
MMDB

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PC cid
PC sid
UniChem
n/an/an/an/a 13n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50246638
PNG
(CHEMBL472897 | N-(1H-indazol-5-yl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)29-25-20-21-26-24(22-25)23-28-30-26/h6-7,9-10,12-13,15-16,20-23H,2-5,8,11,14,17-19H2,1H3,(H,28,30)(H,29,31)/b7-6-,10-9-,13-12-,16-15-
PDB
MMDB

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B.MOAD
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PC cid
PC sid
UniChem
n/an/an/an/a 398n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair