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BDBM50505190 CHEMBL4542355

SMILES: CN(CCN(C)C(=O)n1cc(cn1)C#N)Cc1cccc(OCc2ccccc2)c1

InChI Key: InChIKey=SLOJOFQWJADZKK-UHFFFAOYSA-N

Data: 4 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 = 50505190   
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
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50505190
PNG
(CHEMBL4542355)
Show SMILES CN(CCN(C)C(=O)n1cc(cn1)C#N)Cc1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C23H25N5O2/c1-26(11-12-27(2)23(29)28-17-21(14-24)15-25-28)16-20-9-6-10-22(13-20)30-18-19-7-4-3-5-8-19/h3-10,13,15,17H,11-12,16,18H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 190n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to FAAH in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and measure...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50505190
PNG
(CHEMBL4542355)
Show SMILES CN(CCN(C)C(=O)n1cc(cn1)C#N)Cc1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C23H25N5O2/c1-26(11-12-27(2)23(29)28-17-21(14-24)15-25-28)16-20-9-6-10-22(13-20)30-18-19-7-4-3-5-8-19/h3-10,13,15,17H,11-12,16,18H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 590n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to MGLL in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and measure...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
More data for this
Ligand-Target Pair
KIAA1363


(Mus musculus (mouse))
BDBM50505190
PNG
(CHEMBL4542355)
Show SMILES CN(CCN(C)C(=O)n1cc(cn1)C#N)Cc1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C23H25N5O2/c1-26(11-12-27(2)23(29)28-17-21(14-24)15-25-28)16-20-9-6-10-22(13-20)30-18-19-7-4-3-5-8-19/h3-10,13,15,17H,11-12,16,18H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Mus musculus (mouse))
BDBM50505190
PNG
(CHEMBL4542355)
Show SMILES CN(CCN(C)C(=O)n1cc(cn1)C#N)Cc1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C23H25N5O2/c1-26(11-12-27(2)23(29)28-17-21(14-24)15-25-28)16-20-9-6-10-22(13-20)30-18-19-7-4-3-5-8-19/h3-10,13,15,17H,11-12,16,18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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 FP-rhodamine probe binding to ABHD6 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and measur...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
More data for this
Ligand-Target Pair