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BDBM50204485 CHEMBL219880::methyl 6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinate

SMILES: COC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1

InChI Key: InChIKey=IMTYQPIAPDYUAT-UHFFFAOYSA-N

Data: 3 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 6 hits for monomerid = 50204485   
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
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50204485
PNG
(CHEMBL219880 | methyl 6-(2-(7-phenylheptanoyl)oxaz...)
Show SMILES COC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C23H24N2O4/c1-28-23(27)19-14-9-13-18(25-19)21-16-24-22(29-21)20(26)15-8-3-2-5-10-17-11-6-4-7-12-17/h4,6-7,9,11-14,16H,2-3,5,8,10,15H2,1H3
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Article
PubMed
8n/an/an/an/an/an/a9.0n/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli at pH 9.0


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50204485
PNG
(CHEMBL219880 | methyl 6-(2-(7-phenylheptanoyl)oxaz...)
Show SMILES COC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C23H24N2O4/c1-28-23(27)19-14-9-13-18(25-19)21-16-24-22(29-21)20(26)15-8-3-2-5-10-17-11-6-4-7-12-17/h4,6-7,9,11-14,16H,2-3,5,8,10,15H2,1H3
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Article
PubMed
8n/an/an/an/an/an/a9.0n/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH (unknown origin) at pH 9


Bioorg Med Chem Lett 18: 5847-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.086
BindingDB Entry DOI: 10.7270/Q2GF0TBV
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50204485
PNG
(CHEMBL219880 | methyl 6-(2-(7-phenylheptanoyl)oxaz...)
Show SMILES COC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C23H24N2O4/c1-28-23(27)19-14-9-13-18(25-19)21-16-24-22(29-21)20(26)15-8-3-2-5-10-17-11-6-4-7-12-17/h4,6-7,9,11-14,16H,2-3,5,8,10,15H2,1H3
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PubMed
8n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamide breakdown


J Med Chem 50: 1058-68 (2007)


Article DOI: 10.1021/jm0611509
BindingDB Entry DOI: 10.7270/Q26H4J6G
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50204485
PNG
(CHEMBL219880 | methyl 6-(2-(7-phenylheptanoyl)oxaz...)
Show SMILES COC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C23H24N2O4/c1-28-23(27)19-14-9-13-18(25-19)21-16-24-22(29-21)20(26)15-8-3-2-5-10-17-11-6-4-7-12-17/h4,6-7,9,11-14,16H,2-3,5,8,10,15H2,1H3
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PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of TGH


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))
BDBM50204485
PNG
(CHEMBL219880 | methyl 6-(2-(7-phenylheptanoyl)oxaz...)
Show SMILES COC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C23H24N2O4/c1-28-23(27)19-14-9-13-18(25-19)21-16-24-22(29-21)20(26)15-8-3-2-5-10-17-11-6-4-7-12-17/h4,6-7,9,11-14,16H,2-3,5,8,10,15H2,1H3
KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 2.40E+5n/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of KIAA1363 hydrolase


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50204485
PNG
(CHEMBL219880 | methyl 6-(2-(7-phenylheptanoyl)oxaz...)
Show SMILES COC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C23H24N2O4/c1-28-23(27)19-14-9-13-18(25-19)21-16-24-22(29-21)20(26)15-8-3-2-5-10-17-11-6-4-7-12-17/h4,6-7,9,11-14,16H,2-3,5,8,10,15H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair