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BDBM280644 US10030020, Example 189::US10781211, Example 189

SMILES: CN1CCN(CC1)c1c(Cl)cccc1CN1CC2(CC1(C)C)CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=HXHYUYZTCNPDSJ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 280644   
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
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM280644
PNG
(US10030020, Example 189 | US10781211, Example 189)
Show SMILES CN1CCN(CC1)c1c(Cl)cccc1CN1CC2(CC1(C)C)CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H35ClF6N4O2/c1-23(2)16-24(7-9-36(10-8-24)22(38)39-21(25(28,29)30)26(31,32)33)17-37(23)15-18-5-4-6-19(27)20(18)35-13-11-34(3)12-14-35/h4-6,21H,7-17H2,1-3H3
Reactome pathway
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



ABIDE THERAPEUTICS, INC.

US Patent


Assay Description
Proteomes (mouse brain membrane fraction or cell lysates) (50 μL, 1.0 mg/mL total protein concentration) were preincubated with varying concentr...


US Patent US10030020 (2018)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280644
PNG
(US10030020, Example 189 | US10781211, Example 189)
Show SMILES CN1CCN(CC1)c1c(Cl)cccc1CN1CC2(CC1(C)C)CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H35ClF6N4O2/c1-23(2)16-24(7-9-36(10-8-24)22(38)39-21(25(28,29)30)26(31,32)33)17-37(23)15-18-5-4-6-19(27)20(18)35-13-11-34(3)12-14-35/h4-6,21H,7-17H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



ABIDE THERAPEUTICS, INC.

US Patent


Assay Description
Proteomes (mouse brain membrane fraction or cell lysates) (50 μL, 1.0 mg/mL total protein concentration) were preincubated with varying concentr...


US Patent US10030020 (2018)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Mus musculus (mouse))
BDBM280644
PNG
(US10030020, Example 189 | US10781211, Example 189)
Show SMILES CN1CCN(CC1)c1c(Cl)cccc1CN1CC2(CC1(C)C)CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H35ClF6N4O2/c1-23(2)16-24(7-9-36(10-8-24)22(38)39-21(25(28,29)30)26(31,32)33)17-37(23)15-18-5-4-6-19(27)20(18)35-13-11-34(3)12-14-35/h4-6,21H,7-17H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



LUNDBECK LA JOLLA RESEARCH CENTER, INC.

US Patent


Assay Description
MAGL, ABHD6 and FAAH: Proteomes (mouse brain membrane fraction or cell lysates) (50 μL, 1.0 mg/mL total protein concentration) were preincubated...


US Patent US10781211 (2020)

More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM280644
PNG
(US10030020, Example 189 | US10781211, Example 189)
Show SMILES CN1CCN(CC1)c1c(Cl)cccc1CN1CC2(CC1(C)C)CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H35ClF6N4O2/c1-23(2)16-24(7-9-36(10-8-24)22(38)39-21(25(28,29)30)26(31,32)33)17-37(23)15-18-5-4-6-19(27)20(18)35-13-11-34(3)12-14-35/h4-6,21H,7-17H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



LUNDBECK LA JOLLA RESEARCH CENTER, INC.

US Patent


Assay Description
MAGL, ABHD6 and FAAH: Proteomes (mouse brain membrane fraction or cell lysates) (50 μL, 1.0 mg/mL total protein concentration) were preincubated...


US Patent US10781211 (2020)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280644
PNG
(US10030020, Example 189 | US10781211, Example 189)
Show SMILES CN1CCN(CC1)c1c(Cl)cccc1CN1CC2(CC1(C)C)CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H35ClF6N4O2/c1-23(2)16-24(7-9-36(10-8-24)22(38)39-21(25(28,29)30)26(31,32)33)17-37(23)15-18-5-4-6-19(27)20(18)35-13-11-34(3)12-14-35/h4-6,21H,7-17H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



LUNDBECK LA JOLLA RESEARCH CENTER, INC.

US Patent


Assay Description
MAGL, ABHD6 and FAAH: Proteomes (mouse brain membrane fraction or cell lysates) (50 μL, 1.0 mg/mL total protein concentration) were preincubated...


US Patent US10781211 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD2


(Mus musculus (Mouse))
BDBM280644
PNG
(US10030020, Example 189 | US10781211, Example 189)
Show SMILES CN1CCN(CC1)c1c(Cl)cccc1CN1CC2(CC1(C)C)CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H35ClF6N4O2/c1-23(2)16-24(7-9-36(10-8-24)22(38)39-21(25(28,29)30)26(31,32)33)17-37(23)15-18-5-4-6-19(27)20(18)35-13-11-34(3)12-14-35/h4-6,21H,7-17H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



ABIDE THERAPEUTICS, INC.

US Patent


Assay Description
Proteomes (mouse brain membrane fraction or cell lysates) (50 μL, 1.0 mg/mL total protein concentration) were preincubated with varying concentr...


US Patent US10030020 (2018)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair