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BDBM50307068 4-Nitrophenyl 4-(Hydroxybis(2-methoxyphenyl)methyl)piperidine-1-carboxylate::CHEMBL599725

SMILES: COc1ccccc1C(O)(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)c1ccccc1OC

InChI Key: InChIKey=XFCUXOVAZJSYFN-UHFFFAOYSA-N

Data: 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 3 hits for monomerid = 50307068   
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
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307068
PNG
(4-Nitrophenyl 4-(Hydroxybis(2-methoxyphenyl)methyl...)
Show SMILES COc1ccccc1C(O)(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)c1ccccc1OC
Show InChI InChI=1S/C27H28N2O7/c1-34-24-9-5-3-7-22(24)27(31,23-8-4-6-10-25(23)35-2)19-15-17-28(18-16-19)26(30)36-21-13-11-20(12-14-21)29(32)33/h3-14,19,31H,15-18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307068
PNG
(4-Nitrophenyl 4-(Hydroxybis(2-methoxyphenyl)methyl...)
Show SMILES COc1ccccc1C(O)(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)c1ccccc1OC
Show InChI InChI=1S/C27H28N2O7/c1-34-24-9-5-3-7-22(24)27(31,23-8-4-6-10-25(23)35-2)19-15-17-28(18-16-19)26(30)36-21-13-11-20(12-14-21)29(32)33/h3-14,19,31H,15-18H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 510n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50307068
PNG
(4-Nitrophenyl 4-(Hydroxybis(2-methoxyphenyl)methyl...)
Show SMILES COc1ccccc1C(O)(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)c1ccccc1OC
Show InChI InChI=1S/C27H28N2O7/c1-34-24-9-5-3-7-22(24)27(31,23-8-4-6-10-25(23)35-2)19-15-17-28(18-16-19)26(30)36-21-13-11-20(12-14-21)29(32)33/h3-14,19,31H,15-18H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.51E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair