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BDBM50048066 CHEMBL1316265::OMDM2::US10300048, Compound OMDM-2

SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CO)Cc1ccc(O)cc1

InChI Key: InChIKey=ICDMLAQPOAVWNH-HAAQQRBASA-N

Data: 1 KI  3 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 4 hits for monomerid = 50048066   
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
Liver fatty acid binding protein (FABP1)


(Mus musculus (Mouse))
BDBM50048066
PNG
(CHEMBL1316265 | OMDM2 | US10300048, Compound OMDM-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CO)Cc1ccc(O)cc1
Show InChI InChI=1S/C27H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(31)28-25(23-29)22-24-18-20-26(30)21-19-24/h9-10,18-21,25,29-30H,2-8,11-17,22-23H2,1H3,(H,28,31)/b10-9-/t25-/m1/s1
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Article
PubMed
40n/an/an/an/an/an/an/an/a



Avanti Polar Lipids



Assay Description
The following fluorescent ligand displacement assays at 24 °C were used to further confirm and/or determine if the cytosolic lipidic ligand "chaperon...


Biochemistry 55: 5243-55 (2016)


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2MS3RJJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50048066
PNG
(CHEMBL1316265 | OMDM2 | US10300048, Compound OMDM-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CO)Cc1ccc(O)cc1
Show InChI InChI=1S/C27H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(31)28-25(23-29)22-24-18-20-26(30)21-19-24/h9-10,18-21,25,29-30H,2-8,11-17,22-23H2,1H3,(H,28,31)/b10-9-/t25-/m1/s1
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US Patent
n/an/a 3.90E+3n/an/an/an/an/an/a



Genentech, Inc.



Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


J Med Chem 52: 1723-30 (2009)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50048066
PNG
(CHEMBL1316265 | OMDM2 | US10300048, Compound OMDM-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CO)Cc1ccc(O)cc1
Show InChI InChI=1S/C27H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(31)28-25(23-29)22-24-18-20-26(30)21-19-24/h9-10,18-21,25,29-30H,2-8,11-17,22-23H2,1H3,(H,28,31)/b10-9-/t25-/m1/s1
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US Patent
n/an/a 2.34E+4n/an/an/an/an/an/a



Genentech, Inc.



Assay Description
Hydrolysis of [3H]-AEA by FAAH was determined as previously described in cell homogenates of U937 cells (0.18 mg protein) (Omeir et al., 1999, Bioche...


J Med Chem 52: 1723-30 (2009)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50048066
PNG
(CHEMBL1316265 | OMDM2 | US10300048, Compound OMDM-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CO)Cc1ccc(O)cc1
Show InChI InChI=1S/C27H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(31)28-25(23-29)22-24-18-20-26(30)21-19-24/h9-10,18-21,25,29-30H,2-8,11-17,22-23H2,1H3,(H,28,31)/b10-9-/t25-/m1/s1
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Article
PubMed
n/an/a 2.33E+4n/an/an/an/an/an/a



University of Szeged

Curated by ChEMBL


Assay Description
Inhibition of FAAH-mediated [ethanol-amine-1-3H]AEA hydrolysis in human U937 cells preincubated for 15 mins measured 15 mins post AEA addition by liq...


J Nat Prod 77: 1663-9 (2014)


Article DOI: 10.1021/np500292g
BindingDB Entry DOI: 10.7270/Q269757F
More data for this
Ligand-Target Pair