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BDBM50443627 CHEMBL3092450::US9216998, 5

SMILES: COc1cc2CCCn3c(CCc4ccccc4)c(c(c1)c23)C(F)(F)F

InChI Key: InChIKey=MXODNNNPSJJTNP-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 = 50443627   
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
Endothelial lipase


(Homo sapiens (Human))
BDBM50443627
PNG
(CHEMBL3092450 | US9216998, 5)
Show SMILES COc1cc2CCCn3c(CCc4ccccc4)c(c(c1)c23)C(F)(F)F
Show InChI InChI=1S/C21H20F3NO/c1-26-16-12-15-8-5-11-25-18(10-9-14-6-3-2-4-7-14)19(21(22,23)24)17(13-16)20(15)25/h2-4,6-7,12-13H,5,8-11H2,1H3
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/an/an/an/a7.2n/a



Janssen Pharmaceutica NV

US Patent


Assay Description
To assay for cell surface lipase activity, cells expressing human endothelial lipase (EL) or LPL were plated in CellBIND® 384-well plates (Corning, L...


US Patent US9216998 (2015)


BindingDB Entry DOI: 10.7270/Q22N513F
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50443627
PNG
(CHEMBL3092450 | US9216998, 5)
Show SMILES COc1cc2CCCn3c(CCc4ccccc4)c(c(c1)c23)C(F)(F)F
Show InChI InChI=1S/C21H20F3NO/c1-26-16-12-15-8-5-11-25-18(10-9-14-6-3-2-4-7-14)19(21(22,23)24)17(13-16)20(15)25/h2-4,6-7,12-13H,5,8-11H2,1H3
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human endothelial lipase using PLAi as substrate measured for 30 mins by cell-based fluorescence assay


ACS Med Chem Lett 4: 1016-7 (2013)


Article DOI: 10.1021/ml400361q
BindingDB Entry DOI: 10.7270/Q22J6DBG
More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Mus musculus (Mouse))
BDBM50443627
PNG
(CHEMBL3092450 | US9216998, 5)
Show SMILES COc1cc2CCCn3c(CCc4ccccc4)c(c(c1)c23)C(F)(F)F
Show InChI InChI=1S/C21H20F3NO/c1-26-16-12-15-8-5-11-25-18(10-9-14-6-3-2-4-7-14)19(21(22,23)24)17(13-16)20(15)25/h2-4,6-7,12-13H,5,8-11H2,1H3
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse endothelial lipase using PLAi as substrate measured for 30 mins by cell-based fluorescence assay


ACS Med Chem Lett 4: 1016-7 (2013)


Article DOI: 10.1021/ml400361q
BindingDB Entry DOI: 10.7270/Q22J6DBG
More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Mus musculus (Mouse))
BDBM50443627
PNG
(CHEMBL3092450 | US9216998, 5)
Show SMILES COc1cc2CCCn3c(CCc4ccccc4)c(c(c1)c23)C(F)(F)F
Show InChI InChI=1S/C21H20F3NO/c1-26-16-12-15-8-5-11-25-18(10-9-14-6-3-2-4-7-14)19(21(22,23)24)17(13-16)20(15)25/h2-4,6-7,12-13H,5,8-11H2,1H3
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 17n/an/an/an/a7.2n/a



Janssen Pharmaceutica NV

US Patent


Assay Description
To assay for cell surface lipase activity, cells expressing human endothelial lipase (EL) or LPL were plated in CellBIND® 384-well plates (Corning, L...


US Patent US9216998 (2015)


BindingDB Entry DOI: 10.7270/Q22N513F
More data for this
Ligand-Target Pair