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Patent code US9688664

Compile Data Set for Download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fatty-acid amide hydrolase 1 (FAAH)


(Homo sapiens (Human))
BDBM174013
PNG
(4-(2,2-difluoro-benzo[1,3]dioxol-5-ylmethyl)-piper...)
Show SMILES FC1(F)Oc2ccc(CN3CCN(CC3)C(=O)Nc3cnccc3Cl)cc2O1
Show InChI InChI=1S/C18H17ClF2N4O3/c19-13-3-4-22-10-14(13)23-17(26)25-7-5-24(6-8-25)11-12-1-2-15-16(9-12)28-18(20,21)27-15/h1-4,9-10H,5-8,11H2,(H,23,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 75n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
T84 frozen cell pellets or transfected SK-N-MC cells (contents of 115 cm culture dishes) were homogenized in 50 mL of FAAH assay buffer (125 mM Tris...


Citation and Details
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(Homo sapiens (Human))
BDBM174013
PNG
(4-(2,2-difluoro-benzo[1,3]dioxol-5-ylmethyl)-piper...)
Show SMILES FC1(F)Oc2ccc(CN3CCN(CC3)C(=O)Nc3cnccc3Cl)cc2O1
Show InChI InChI=1S/C18H17ClF2N4O3/c19-13-3-4-22-10-14(13)23-17(26)25-7-5-24(6-8-25)11-12-1-2-15-16(9-12)28-18(20,21)27-15/h1-4,9-10H,5-8,11H2,(H,23,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 320n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Transfected SK-N-MC cells (contents of 115 cm culture dishes) were homogenized in 50 mL of FAAH assay buffer (125 mM Tris, 1 mM EDTA, 0.2% Glycerol,...


Citation and Details
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(Homo sapiens (Human))
BDBM188461
PNG
(US9169224, 150 | US9688664, Comparator Compound)
Show SMILES FC1(F)Oc2ccc(CN3CCN(CC3)C(=O)Nc3cccnc3)cc2O1
Show InChI InChI=1S/C18H18F2N4O3/c19-18(20)26-15-4-3-13(10-16(15)27-18)12-23-6-8-24(9-7-23)17(25)22-14-2-1-5-21-11-14/h1-5,10-11H,6-9,12H2,(H,22,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 340n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
T84 frozen cell pellets or transfected SK-N-MC cells (contents of 115 cm culture dishes) were homogenized in 50 mL of FAAH assay buffer (125 mM Tris...


Citation and Details
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(Homo sapiens (Human))
BDBM188461
PNG
(US9169224, 150 | US9688664, Comparator Compound)
Show SMILES FC1(F)Oc2ccc(CN3CCN(CC3)C(=O)Nc3cccnc3)cc2O1
Show InChI InChI=1S/C18H18F2N4O3/c19-18(20)26-15-4-3-13(10-16(15)27-18)12-23-6-8-24(9-7-23)17(25)22-14-2-1-5-21-11-14/h1-5,10-11H,6-9,12H2,(H,22,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 450n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Transfected SK-N-MC cells (contents of 115 cm culture dishes) were homogenized in 50 mL of FAAH assay buffer (125 mM Tris, 1 mM EDTA, 0.2% Glycerol,...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM188461
PNG
(US9169224, 150 | US9688664, Comparator Compound)
Show SMILES FC1(F)Oc2ccc(CN3CCN(CC3)C(=O)Nc3cccnc3)cc2O1
Show InChI InChI=1S/C18H18F2N4O3/c19-18(20)26-15-4-3-13(10-16(15)27-18)12-23-6-8-24(9-7-23)17(25)22-14-2-1-5-21-11-14/h1-5,10-11H,6-9,12H2,(H,22,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.00E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The assay was set up and executed using a Biomek FXp robotic liquid handling workstation (Beckman Coulter Corp., Fullerton, Calif.), integrated with ...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM188461
PNG
(US9169224, 150 | US9688664, Comparator Compound)
Show SMILES FC1(F)Oc2ccc(CN3CCN(CC3)C(=O)Nc3cccnc3)cc2O1
Show InChI InChI=1S/C18H18F2N4O3/c19-18(20)26-15-4-3-13(10-16(15)27-18)12-23-6-8-24(9-7-23)17(25)22-14-2-1-5-21-11-14/h1-5,10-11H,6-9,12H2,(H,22,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.20E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The assay was set up and executed using a Biomek FXp robotic liquid handling workstation (Beckman Coulter Corp., Fullerton, Calif.), integrated with ...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM174013
PNG
(4-(2,2-difluoro-benzo[1,3]dioxol-5-ylmethyl)-piper...)
Show SMILES FC1(F)Oc2ccc(CN3CCN(CC3)C(=O)Nc3cnccc3Cl)cc2O1
Show InChI InChI=1S/C18H17ClF2N4O3/c19-13-3-4-22-10-14(13)23-17(26)25-7-5-24(6-8-25)11-12-1-2-15-16(9-12)28-18(20,21)27-15/h1-4,9-10H,5-8,11H2,(H,23,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The assay was set up and executed using a Biomek FXp robotic liquid handling workstation (Beckman Coulter Corp., Fullerton, Calif.), integrated with ...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM174013
PNG
(4-(2,2-difluoro-benzo[1,3]dioxol-5-ylmethyl)-piper...)
Show SMILES FC1(F)Oc2ccc(CN3CCN(CC3)C(=O)Nc3cnccc3Cl)cc2O1
Show InChI InChI=1S/C18H17ClF2N4O3/c19-13-3-4-22-10-14(13)23-17(26)25-7-5-24(6-8-25)11-12-1-2-15-16(9-12)28-18(20,21)27-15/h1-4,9-10H,5-8,11H2,(H,23,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The assay was set up and executed using a Biomek FXp robotic liquid handling workstation (Beckman Coulter Corp., Fullerton, Calif.), integrated with ...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%