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Compile Data Set for Download or QSAR

Found 208 hits of Enz. Inhib. data with enzyme = 'Anandamide amidohydrolase' and Substrate = 'to-be-curated'   
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
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM86537
PNG
(CAS_404-86-4 | Capsaicin | NSC_2548)
Show SMILES COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O
Show InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM86530
PNG
(CAS_58493-49-5 | NSC_42760 | Olvanil)
Show SMILES CCCCCCCCC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1
Show InChI InChI=1S/C26H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h10-11,19-21,28H,3-9,12-18,22H2,1-2H3,(H,27,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM86536
PNG
(PhAR)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H49NO5/c1-3-4-5-15-20-30(40-34(38)26-28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-33(37)35-27-29-23-24-31(36)32(25-29)39-2/h10,12-14,16,18-19,23-25,30,36H,3-9,11,15,17,20-22,26-27H2,1-2H3,(H,35,37)/t30-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM86540
PNG
(PhAR, 5-I)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1cc(I)c(O)c(OC)c1)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H48INO5/c1-3-4-5-15-20-29(41-33(38)25-27-18-13-12-14-19-27)21-16-10-8-6-7-9-11-17-22-32(37)36-26-28-23-30(35)34(39)31(24-28)40-2/h10,12-14,16,18-19,23-24,29,39H,3-9,11,15,17,20-22,25-26H2,1-2H3,(H,36,37)/t29-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM86535
PNG
(PhAR, 6-I)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1cc(OC)c(O)cc1I)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H48INO5/c1-3-4-5-15-20-29(41-34(39)23-27-18-13-12-14-19-27)21-16-10-8-6-7-9-11-17-22-33(38)36-26-28-24-32(40-2)31(37)25-30(28)35/h10,12-14,16,18-19,24-25,29,37H,3-9,11,15,17,20-23,26H2,1-2H3,(H,36,38)/t29-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM86538
PNG
(PhAR, Cycloproyl)
Show SMILES CCCCCCCCC1OC1CCCCCCCC(=O)NCc1ccc(O)c(OC)c1
Show InChI InChI=1S/C26H43NO4/c1-3-4-5-6-8-11-14-23-24(31-23)15-12-9-7-10-13-16-26(29)27-20-21-17-18-22(28)25(19-21)30-2/h17-19,23-24,28H,3-16,20H2,1-2H3,(H,27,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM86542
PNG
(Rinvanil, Phenyl-propionyl)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)CCc1ccccc1
Show InChI InChI=1S/C35H51NO5/c1-3-4-5-15-20-31(41-35(39)26-24-29-18-13-12-14-19-29)21-16-10-8-6-7-9-11-17-22-34(38)36-28-30-23-25-32(37)33(27-30)40-2/h10,12-14,16,18-19,23,25,27,31,37H,3-9,11,15,17,20-22,24,26,28H2,1-2H3,(H,36,38)/t31-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM86539
PNG
(PhAR, ent)
Show SMILES CCCCCCC(C\C=C\CCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H49NO5/c1-3-4-5-15-20-30(40-34(38)26-28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-33(37)35-27-29-23-24-31(36)32(25-29)39-2/h10,12-14,16,18-19,23-25,30,36H,3-9,11,15,17,20-22,26-27H2,1-2H3,(H,35,37)/b16-10+
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM86533
PNG
(PhAR, epoxy)
Show SMILES CCCCCCC(CCC1OC1CCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H49NO6/c1-3-4-5-11-16-28(40-34(38)24-26-14-9-8-10-15-26)20-22-31-30(41-31)17-12-6-7-13-18-33(37)35-25-27-19-21-29(36)32(23-27)39-2/h8-10,14-15,19,21,23,28,30-31,36H,3-7,11-13,16-18,20,22,24-25H2,1-2H3,(H,35,37)
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM86532
PNG
(Rinvanil)
Show SMILES CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1
Show InChI InChI=1S/C26H43NO4/c1-3-4-5-12-15-23(28)16-13-10-8-6-7-9-11-14-17-26(30)27-21-22-18-19-24(29)25(20-22)31-2/h10,13,18-20,23,28-29H,3-9,11-12,14-17,21H2,1-2H3,(H,27,30)/t23-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM86541
PNG
(Rinvanil, Acetyl)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(C)=O
Show InChI InChI=1S/C28H45NO5/c1-4-5-6-13-16-25(34-23(2)30)17-14-11-9-7-8-10-12-15-18-28(32)29-22-24-19-20-26(31)27(21-24)33-3/h11,14,19-21,25,31H,4-10,12-13,15-18,22H2,1-3H3,(H,29,32)/t25-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM86534
PNG
(Rinvanil, Benzoil)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)c1ccccc1
Show InChI InChI=1S/C33H47NO5/c1-3-4-5-15-20-29(39-33(37)28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-32(36)34-26-27-23-24-30(35)31(25-27)38-2/h10,12-14,16,18-19,23-25,29,35H,3-9,11,15,17,20-22,26H2,1-2H3,(H,34,36)/t29-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM86531
PNG
(PhAR, Di-hydro)
Show SMILES CCCCCCC(CCCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H51NO5/c1-3-4-5-15-20-30(40-34(38)26-28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-33(37)35-27-29-23-24-31(36)32(25-29)39-2/h12-14,18-19,23-25,30,36H,3-11,15-17,20-22,26-27H2,1-2H3,(H,35,37)
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Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280456
PNG
(US10030020, Example 1)
Show SMILES COc1ccc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C20H24F6N2O3/c1-30-15-5-3-14(4-6-15)13-28-10-2-7-18(28)8-11-27(12-9-18)17(29)31-16(19(21,22)23)20(24,25)26/h3-6,16H,2,7-13H2,1H3
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280457
PNG
(US10030020, Example 2)
Show SMILES COc1cccc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C20H24F6N2O3/c1-30-15-5-2-4-14(12-15)13-28-9-3-6-18(28)7-10-27(11-8-18)17(29)31-16(19(21,22)23)20(24,25)26/h2,4-5,12,16H,3,6-11,13H2,1H3
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280458
PNG
(US10030020, Example 3)
Show SMILES COc1ccccc1CN1CCCC11CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H24F6N2O3/c1-30-15-6-3-2-5-14(15)13-28-10-4-7-18(28)8-11-27(12-9-18)17(29)31-16(19(21,22)23)20(24,25)26/h2-3,5-6,16H,4,7-13H2,1H3
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280459
PNG
(US10030020, Example 4)
Show SMILES CCOc1ccc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H26F6N2O3/c1-2-31-16-6-4-15(5-7-16)14-29-11-3-8-19(29)9-12-28(13-10-19)18(30)32-17(20(22,23)24)21(25,26)27/h4-7,17H,2-3,8-14H2,1H3
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280460
PNG
(US10030020, Example 5)
Show SMILES CCOc1cccc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C21H26F6N2O3/c1-2-31-16-6-3-5-15(13-16)14-29-10-4-7-19(29)8-11-28(12-9-19)18(30)32-17(20(22,23)24)21(25,26)27/h3,5-6,13,17H,2,4,7-12,14H2,1H3
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280461
PNG
(US10030020, Example 6)
Show SMILES CCOc1ccccc1CN1CCCC11CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H26F6N2O3/c1-2-31-16-7-4-3-6-15(16)14-29-11-5-8-19(29)9-12-28(13-10-19)18(30)32-17(20(22,23)24)21(25,26)27/h3-4,6-7,17H,2,5,8-14H2,1H3
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280462
PNG
(US10030020, Example 7)
Show SMILES COc1cccc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1Cl
Show InChI InChI=1S/C20H23ClF6N2O3/c1-31-14-5-2-4-13(15(14)21)12-29-9-3-6-18(29)7-10-28(11-8-18)17(30)32-16(19(22,23)24)20(25,26)27/h2,4-5,16H,3,6-12H2,1H3
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280463
PNG
(US10030020, Example 8)
Show SMILES COc1ccc(F)cc1CN1CCCC11CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H23F7N2O3/c1-31-15-4-3-14(21)11-13(15)12-29-8-2-5-18(29)6-9-28(10-7-18)17(30)32-16(19(22,23)24)20(25,26)27/h3-4,11,16H,2,5-10,12H2,1H3
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280464
PNG
(US10030020, Example 9)
Show SMILES COc1cc(Cl)ccc1CN1CCCC11CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H23ClF6N2O3/c1-31-15-11-14(21)4-3-13(15)12-29-8-2-5-18(29)6-9-28(10-7-18)17(30)32-16(19(22,23)24)20(25,26)27/h3-4,11,16H,2,5-10,12H2,1H3
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280465
PNG
(US10030020, Example 10)
Show SMILES COc1c(Cl)cccc1CN1CCCC11CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H23ClF6N2O3/c1-31-15-13(4-2-5-14(15)21)12-29-9-3-6-18(29)7-10-28(11-8-18)17(30)32-16(19(22,23)24)20(25,26)27/h2,4-5,16H,3,6-12H2,1H3
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280466
PNG
(US10030020, Example 11)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cccc(OCCN3CCCCC3)c2)CC1)C(F)(F)F
Show InChI InChI=1S/C26H35F6N3O3/c27-25(28,29)22(26(30,31)32)38-23(36)34-14-9-24(10-15-34)8-5-13-35(24)19-20-6-4-7-21(18-20)37-17-16-33-11-2-1-3-12-33/h4,6-7,18,22H,1-3,5,8-17,19H2
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280467
PNG
(US10030020, Example 12)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cccc(OCCN3CCCC3)c2)CC1)C(F)(F)F
Show InChI InChI=1S/C25H33F6N3O3/c26-24(27,28)21(25(29,30)31)37-22(35)33-13-8-23(9-14-33)7-4-12-34(23)18-19-5-3-6-20(17-19)36-16-15-32-10-1-2-11-32/h3,5-6,17,21H,1-2,4,7-16,18H2
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280468
PNG
(US10030020, Example 13)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cccc(OCCN3CCOCC3)c2)CC1)C(F)(F)F
Show InChI InChI=1S/C25H33F6N3O4/c26-24(27,28)21(25(29,30)31)38-22(35)33-9-6-23(7-10-33)5-2-8-34(23)18-19-3-1-4-20(17-19)37-16-13-32-11-14-36-15-12-32/h1,3-4,17,21H,2,5-16,18H2
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280469
PNG
(US10030020, Example 14)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(OCCN3CCOCC3)cc2)CC1)C(F)(F)F
Show InChI InChI=1S/C25H33F6N3O4/c26-24(27,28)21(25(29,30)31)38-22(35)33-10-7-23(8-11-33)6-1-9-34(23)18-19-2-4-20(5-3-19)37-17-14-32-12-15-36-16-13-32/h2-5,21H,1,6-18H2
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280470
PNG
(US10030020, Example 15)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(OCCN3CCCCC3)c(Cl)c2)CC1)C(F)(F)F
Show InChI InChI=1S/C26H34ClF6N3O3/c27-20-17-19(5-6-21(20)38-16-15-34-10-2-1-3-11-34)18-36-12-4-7-24(36)8-13-35(14-9-24)23(37)39-22(25(28,29)30)26(31,32)33/h5-6,17,22H,1-4,7-16,18H2
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280471
PNG
(US10030020, Example 16)
Show SMILES CN(C)C(=O)C1CCN(CC1)c1cc(ccc1CN1CCCC11CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H35F9N4O3/c1-38(2)22(42)18-6-12-39(13-7-18)21-16-20(26(29,30)31)5-4-19(21)17-41-11-3-8-25(41)9-14-40(15-10-25)24(43)44-23(27(32,33)34)28(35,36)37/h4-5,16,18,23H,3,6-15,17H2,1-2H3
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280472
PNG
(US10030020, Example 17)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCN(Cc3ccc(Cl)cc3N3CCCC3)C2)CC1)C(F)(F)F
Show InChI InChI=1S/C23H28ClF6N3O2/c24-17-4-3-16(18(13-17)32-8-1-2-9-32)14-31-10-5-21(15-31)6-11-33(12-7-21)20(34)35-19(22(25,26)27)23(28,29)30/h3-4,13,19H,1-2,5-12,14-15H2
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280473
PNG
(US10030020, Example 18)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCN(Cc3c(cccc3C(F)(F)F)N3CC4COCC4C3)C2)CC1)C(F)(F)F
Show InChI InChI=1S/C26H30F9N3O3/c27-24(28,29)19-2-1-3-20(38-10-16-13-40-14-17(16)11-38)18(19)12-36-7-4-23(15-36)5-8-37(9-6-23)22(39)41-21(25(30,31)32)26(33,34)35/h1-3,16-17,21H,4-15H2
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280474
PNG
(US10030020, Example 19)
Show SMILES FCCN1CCN(CC1)c1cc(Cl)ccc1CN1CCCC11CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H32ClF7N4O2/c26-19-3-2-18(20(16-19)35-14-12-34(11-7-27)13-15-35)17-37-8-1-4-23(37)5-9-36(10-6-23)22(38)39-21(24(28,29)30)25(31,32)33/h2-3,16,21H,1,4-15,17H2
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280475
PNG
(US10030020, Example 20)
Show SMILES FCCN1CCN(CC1)c1cc(ccc1CN1CCCC11CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H32F10N4O2/c27-7-11-37-12-14-38(15-13-37)20-16-19(24(28,29)30)3-2-18(20)17-40-8-1-4-23(40)5-9-39(10-6-23)22(41)42-21(25(31,32)33)26(34,35)36/h2-3,16,21H,1,4-15,17H2
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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)

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
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280477
PNG
(US10030020, Example 22)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCN(Cc3ccc(cc3N3CCOCC3)C(F)(F)F)C2)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28F9N3O3/c25-22(26,27)17-2-1-16(18(13-17)35-9-11-38-12-10-35)14-34-6-3-21(15-34)4-7-36(8-5-21)20(37)39-19(23(28,29)30)24(31,32)33/h1-2,13,19H,3-12,14-15H2
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280478
PNG
(US10030020, Example 23)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCN(Cc3ccc(cc3N3CCCCC3)C(F)(F)F)C2)CC1)C(F)(F)F
Show InChI InChI=1S/C25H30F9N3O2/c26-23(27,28)18-5-4-17(19(14-18)36-9-2-1-3-10-36)15-35-11-6-22(16-35)7-12-37(13-8-22)21(38)39-20(24(29,30)31)25(32,33)34/h4-5,14,20H,1-3,6-13,15-16H2
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280479
PNG
(US10030020, Example 24)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCN(Cc3ccc(Cl)cc3N3CCCCC3)C2)CC1)C(F)(F)F
Show InChI InChI=1S/C24H30ClF6N3O2/c25-18-5-4-17(19(14-18)33-9-2-1-3-10-33)15-32-11-6-22(16-32)7-12-34(13-8-22)21(35)36-20(23(26,27)28)24(29,30)31/h4-5,14,20H,1-3,6-13,15-16H2
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280480
PNG
(US10030020, Example 25)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCN(Cc3ccc(Cl)cc3N3CC4COCC4C3)C2)CC1)C(F)(F)F
Show InChI InChI=1S/C25H30ClF6N3O3/c26-19-2-1-16(20(9-19)35-11-17-13-37-14-18(17)12-35)10-33-6-3-23(15-33)4-7-34(8-5-23)22(36)38-21(24(27,28)29)25(30,31)32/h1-2,9,17-18,21H,3-8,10-15H2
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280481
PNG
(US10030020, Example 26)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCN(Cc3ccc(cc3N3CC4COCC4C3)C(F)(F)F)C2)CC1)C(F)(F)F
Show InChI InChI=1S/C26H30F9N3O3/c27-24(28,29)19-2-1-16(20(9-19)38-11-17-13-40-14-18(17)12-38)10-36-6-3-23(15-36)4-7-37(8-5-23)22(39)41-21(25(30,31)32)26(33,34)35/h1-2,9,17-18,21H,3-8,10-15H2
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280482
PNG
(US10030020, Example 27)
Show SMILES FCCOc1cccc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C21H25F7N2O3/c22-8-12-32-16-4-1-3-15(13-16)14-30-9-2-5-19(30)6-10-29(11-7-19)18(31)33-17(20(23,24)25)21(26,27)28/h1,3-4,13,17H,2,5-12,14H2
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280483
PNG
(US10030020, Example 28)
Show SMILES FCCOc1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C21H24ClF7N2O3/c22-15-3-2-14(12-16(15)33-11-7-23)13-31-8-1-4-19(31)5-9-30(10-6-19)18(32)34-17(20(24,25)26)21(27,28)29/h2-3,12,17H,1,4-11,13H2
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280484
PNG
(US10030020, Example 29)
Show SMILES FCCOc1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)ccc1F
Show InChI InChI=1S/C21H24F8N2O3/c22-7-11-33-16-12-14(2-3-15(16)23)13-31-8-1-4-19(31)5-9-30(10-6-19)18(32)34-17(20(24,25)26)21(27,28)29/h2-3,12,17H,1,4-11,13H2
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280485
PNG
(US10030020, Example 30)
Show SMILES FCCOc1cc(Cl)ccc1CN1CCCC11CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H24ClF7N2O3/c22-15-3-2-14(16(12-15)33-11-7-23)13-31-8-1-4-19(31)5-9-30(10-6-19)18(32)34-17(20(24,25)26)21(27,28)29/h2-3,12,17H,1,4-11,13H2
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280486
PNG
(US10030020, Example 31)
Show SMILES FCCOc1ccc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H25F7N2O3/c22-9-13-32-16-4-2-15(3-5-16)14-30-10-1-6-19(30)7-11-29(12-8-19)18(31)33-17(20(23,24)25)21(26,27)28/h2-5,17H,1,6-14H2
PDB
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280487
PNG
(US10030020, Example 32)
Show SMILES CCOc1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C21H25ClF6N2O3/c1-2-32-16-12-14(4-5-15(16)22)13-30-9-3-6-19(30)7-10-29(11-8-19)18(31)33-17(20(23,24)25)21(26,27)28/h4-5,12,17H,2-3,6-11,13H2,1H3
PDB
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280488
PNG
(US10030020, Example 33)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cc(Cl)cc(c2)N2CCOCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C23H28ClF6N3O3/c24-17-12-16(13-18(14-17)31-8-10-35-11-9-31)15-33-5-1-2-21(33)3-6-32(7-4-21)20(34)36-19(22(25,26)27)23(28,29)30/h12-14,19H,1-11,15H2
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280489
PNG
(US10030020, Example 34)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cc(Cl)cc(c2)N2CCCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C23H28ClF6N3O2/c24-17-12-16(13-18(14-17)31-7-1-2-8-31)15-33-9-3-4-21(33)5-10-32(11-6-21)20(34)35-19(22(25,26)27)23(28,29)30/h12-14,19H,1-11,15H2
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280490
PNG
(US10030020, Example 35)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cc(cc(c2)C(F)(F)F)N2CCOCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28F9N3O3/c25-22(26,27)17-12-16(13-18(14-17)34-8-10-38-11-9-34)15-36-5-1-2-21(36)3-6-35(7-4-21)20(37)39-19(23(28,29)30)24(31,32)33/h12-14,19H,1-11,15H2
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280491
PNG
(US10030020, Example 36)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cc(cc(c2)C(F)(F)F)N2CCCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28F9N3O2/c25-22(26,27)17-12-16(13-18(14-17)34-7-1-2-8-34)15-36-9-3-4-21(36)5-10-35(11-6-21)20(37)38-19(23(28,29)30)24(31,32)33/h12-14,19H,1-11,15H2
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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)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM280492
PNG
(US10030020, Example 37)
Show SMILES FC(F)(F)Oc1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc(c1)N1CCOCC1
Show InChI InChI=1S/C24H28F9N3O4/c25-22(26,27)19(23(28,29)30)39-20(37)35-6-3-21(4-7-35)2-1-5-36(21)15-16-12-17(34-8-10-38-11-9-34)14-18(13-16)40-24(31,32)33/h12-14,19H,1-11,15H2
PDB
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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)

More data for this
Ligand-Target Pair
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