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BDBM280476 US10030020, Example 21

SMILES: FC(F)(F)C(OC(=O)N1CCC2(CCN(Cc3ccc(Cl)cc3N3CCOCC3)C2)CC1)C(F)(F)F

InChI Key: InChIKey=WHKLAKOMDYXEPV-UHFFFAOYSA-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 = 280476   
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))
BDBM280476
PNG
(US10030020, Example 21)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCN(Cc3ccc(Cl)cc3N3CCOCC3)C2)CC1)C(F)(F)F
Show InChI InChI=1S/C23H28ClF6N3O3/c24-17-2-1-16(18(13-17)32-9-11-35-12-10-32)14-31-6-3-21(15-31)4-7-33(8-5-21)20(34)36-19(22(25,26)27)23(28,29)30/h1-2,13,19H,3-12,14-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
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
Monoacylglycerol lipase ABHD2


(Mus musculus (Mouse))
BDBM280476
PNG
(US10030020, Example 21)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCN(Cc3ccc(Cl)cc3N3CCOCC3)C2)CC1)C(F)(F)F
Show InChI InChI=1S/C23H28ClF6N3O3/c24-17-2-1-16(18(13-17)32-9-11-35-12-10-32)14-31-6-3-21(15-31)4-7-33(8-5-21)20(34)36-19(22(25,26)27)23(28,29)30/h1-2,13,19H,3-12,14-15H2
UniProtKB/SwissProt

GoogleScholar
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
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280476
PNG
(US10030020, Example 21)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCN(Cc3ccc(Cl)cc3N3CCOCC3)C2)CC1)C(F)(F)F
Show InChI InChI=1S/C23H28ClF6N3O3/c24-17-2-1-16(18(13-17)32-9-11-35-12-10-32)14-31-6-3-21(15-31)4-7-33(8-5-21)20(34)36-19(22(25,26)27)23(28,29)30/h1-2,13,19H,3-12,14-15H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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