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BDBM50151220 CHEMBL3769678

SMILES: FC1(F)CCC(CCCCOC(=O)N[C@H]2CNC2=O)CC1

InChI Key: InChIKey=YDTGZZSYJJFDFK-NSHDSACASA-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 = 50151220   
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
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50151220
PNG
(CHEMBL3769678)
Show SMILES FC1(F)CCC(CCCCOC(=O)N[C@H]2CNC2=O)CC1 |r|
Show InChI InChI=1S/C14H22F2N2O3/c15-14(16)6-4-10(5-7-14)3-1-2-8-21-13(20)18-11-9-17-12(11)19/h10-11H,1-9H2,(H,17,19)(H,18,20)/t11-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 330n/an/an/an/an/an/a



Italian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human BRD3 bromodomain2 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


Eur J Med Chem 111: 138-59 (2016)


BindingDB Entry DOI: 10.7270/Q2GQ70MX
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50151220
PNG
(CHEMBL3769678)
Show SMILES FC1(F)CCC(CCCCOC(=O)N[C@H]2CNC2=O)CC1 |r|
Show InChI InChI=1S/C14H22F2N2O3/c15-14(16)6-4-10(5-7-14)3-1-2-8-21-13(20)18-11-9-17-12(11)19/h10-11H,1-9H2,(H,17,19)(H,18,20)/t11-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 76n/an/an/an/an/an/a



Italian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NAAA expressed in HEK293 cells after 30 mins by UPLC/MS analysis


Eur J Med Chem 111: 138-59 (2016)


BindingDB Entry DOI: 10.7270/Q2GQ70MX
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Homo sapiens (Human))
BDBM50151220
PNG
(CHEMBL3769678)
Show SMILES FC1(F)CCC(CCCCOC(=O)N[C@H]2CNC2=O)CC1 |r|
Show InChI InChI=1S/C14H22F2N2O3/c15-14(16)6-4-10(5-7-14)3-1-2-8-21-13(20)18-11-9-17-12(11)19/h10-11H,1-9H2,(H,17,19)(H,18,20)/t11-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.05E+4n/an/an/an/an/an/a



Italian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human acid ceramidase by UPLC/MS analysis


Eur J Med Chem 111: 138-59 (2016)


BindingDB Entry DOI: 10.7270/Q2GQ70MX
More data for this
Ligand-Target Pair