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Compile Data Set for Download or QSAR

Found 114 hits Enz. Inhib. hit(s) with all data for entry = 50034561   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364234
PNG
(CHEMBL1952279)
Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@H](c1ccc(Cl)cc1)c1cccnc1Cl |r|
Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50296485
PNG
((R)-{3-[(4-Chlorophenyl)-(2-chloropyridin-3-yl)met...)
Show SMILES Clc1ccc(cc1)[C@@H](OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl |r|
Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-8-6-15(7-9-16)19(18-5-4-10-24-20(18)23)28-17-13-26(14-17)21(27)25-11-2-1-3-12-25/h4-10,17,19H,1-3,11-14H2/t19-/m1/s1
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7n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364235
PNG
(CHEMBL1952280)
Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@@H](c1ccc(Cl)cc1)c1cccnc1Cl |r|
Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m0/s1
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249n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364234
PNG
(CHEMBL1952279)
Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@H](c1ccc(Cl)cc1)c1cccnc1Cl |r|
Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m1/s1
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490n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364235
PNG
(CHEMBL1952280)
Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@@H](c1ccc(Cl)cc1)c1cccnc1Cl |r|
Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m0/s1
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4.02E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50296485
PNG
((R)-{3-[(4-Chlorophenyl)-(2-chloropyridin-3-yl)met...)
Show SMILES Clc1ccc(cc1)[C@@H](OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl |r|
Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-8-6-15(7-9-16)19(18-5-4-10-24-20(18)23)28-17-13-26(14-17)21(27)25-11-2-1-3-12-25/h4-10,17,19H,1-3,11-14H2/t19-/m1/s1
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1.09E+4n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364235
PNG
(CHEMBL1952280)
Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@@H](c1ccc(Cl)cc1)c1cccnc1Cl |r|
Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m0/s1
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n/an/a 94n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50296484
PNG
((S)-{3-[(4-Chlorophenyl)-(2-chloropyridin-3-yl)met...)
Show SMILES Clc1ccc(cc1)[C@H](OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl |r|
Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-8-6-15(7-9-16)19(18-5-4-10-24-20(18)23)28-17-13-26(14-17)21(27)25-11-2-1-3-12-25/h4-10,17,19H,1-3,11-14H2/t19-/m0/s1
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n/an/a 112n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364259
PNG
(CHEMBL1952091)
Show SMILES CC1CCN(CC1)C(=O)N1CC(C1)OC(c1ccc(Cl)cc1)c1cccnc1Cl
Show InChI InChI=1S/C22H25Cl2N3O2/c1-15-8-11-26(12-9-15)22(28)27-13-18(14-27)29-20(16-4-6-17(23)7-5-16)19-3-2-10-25-21(19)24/h2-7,10,15,18,20H,8-9,11-14H2,1H3
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n/an/a 126n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364258
PNG
(CHEMBL1952090)
Show SMILES CC1CCCN(C1)C(=O)N1CC(C1)OC(c1ccc(Cl)cc1)c1cccnc1Cl
Show InChI InChI=1S/C22H25Cl2N3O2/c1-15-4-3-11-26(12-15)22(28)27-13-18(14-27)29-20(16-6-8-17(23)9-7-16)19-5-2-10-25-21(19)24/h2,5-10,15,18,20H,3-4,11-14H2,1H3
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n/an/a 161n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364261
PNG
(CHEMBL1952093)
Show SMILES Clc1ccc(cc1)C(OC1CN(C1)C(=O)N1CCC(Cc2ccccc2)CC1)c1cccnc1Cl
Show InChI InChI=1S/C28H29Cl2N3O2/c29-23-10-8-22(9-11-23)26(25-7-4-14-31-27(25)30)35-24-18-33(19-24)28(34)32-15-12-21(13-16-32)17-20-5-2-1-3-6-20/h1-11,14,21,24,26H,12-13,15-19H2
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n/an/a 237n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364234
PNG
(CHEMBL1952279)
Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@H](c1ccc(Cl)cc1)c1cccnc1Cl |r|
Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m1/s1
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n/an/a 242n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364262
PNG
(CHEMBL1952094)
Show SMILES Clc1ccc(cc1)C(OC1CN(C1)C(=O)N1CCN(Cc2ccccc2)CC1)c1cccnc1Cl
Show InChI InChI=1S/C27H28Cl2N4O2/c28-22-10-8-21(9-11-22)25(24-7-4-12-30-26(24)29)35-23-18-33(19-23)27(34)32-15-13-31(14-16-32)17-20-5-2-1-3-6-20/h1-12,23,25H,13-19H2
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n/an/a 370n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364240
PNG
(CHEMBL1952072)
Show SMILES Clc1cccc(c1)C(OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl
Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-7-4-6-15(12-16)19(18-8-5-9-24-20(18)23)28-17-13-26(14-17)21(27)25-10-2-1-3-11-25/h4-9,12,17,19H,1-3,10-11,13-14H2
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n/an/a 375n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364268
PNG
(CHEMBL1952265)
Show SMILES FC1CCN(CC1)C(=O)N1CC(C1)OC(c1ccc(Cl)cc1)c1cccnc1Cl
Show InChI InChI=1S/C21H22Cl2FN3O2/c22-15-5-3-14(4-6-15)19(18-2-1-9-25-20(18)23)29-17-12-27(13-17)21(28)26-10-7-16(24)8-11-26/h1-6,9,16-17,19H,7-8,10-13H2
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n/an/a 388n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364245
PNG
(CHEMBL1952077)
Show SMILES Clc1ncccc1C(OC1CN(C1)C(=O)N1CCCCC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C22H24ClN3O4/c23-21-17(5-4-8-24-21)20(15-6-7-18-19(11-15)29-14-28-18)30-16-12-26(13-16)22(27)25-9-2-1-3-10-25/h4-8,11,16,20H,1-3,9-10,12-14H2
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n/an/a 413n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50364259
PNG
(CHEMBL1952091)
Show SMILES CC1CCN(CC1)C(=O)N1CC(C1)OC(c1ccc(Cl)cc1)c1cccnc1Cl
Show InChI InChI=1S/C22H25Cl2N3O2/c1-15-8-11-26(12-9-15)22(28)27-13-18(14-27)29-20(16-4-6-17(23)7-5-16)19-3-2-10-25-21(19)24/h2-7,10,15,18,20H,8-9,11-14H2,1H3
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n/an/a 423n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cells using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50296484
PNG
((S)-{3-[(4-Chlorophenyl)-(2-chloropyridin-3-yl)met...)
Show SMILES Clc1ccc(cc1)[C@H](OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl |r|
Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-8-6-15(7-9-16)19(18-5-4-10-24-20(18)23)28-17-13-26(14-17)21(27)25-11-2-1-3-12-25/h4-10,17,19H,1-3,11-14H2/t19-/m0/s1
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n/an/a 447n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364238
PNG
(CHEMBL1952070)
Show SMILES Fc1ccc(cc1)C(OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl
Show InChI InChI=1S/C21H23ClFN3O2/c22-20-18(5-4-10-24-20)19(15-6-8-16(23)9-7-15)28-17-13-26(14-17)21(27)25-11-2-1-3-12-25/h4-10,17,19H,1-3,11-14H2
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n/an/a 464n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364244
PNG
(CHEMBL1952076)
Show SMILES Clc1ccc(cc1Cl)C(OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl
Show InChI InChI=1S/C21H22Cl3N3O2/c22-17-7-6-14(11-18(17)23)19(16-5-4-8-25-20(16)24)29-15-12-27(13-15)21(28)26-9-2-1-3-10-26/h4-8,11,15,19H,1-3,9-10,12-13H2
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n/an/a 471n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364257
PNG
(CHEMBL1952089)
Show SMILES CC1CCCCN1C(=O)N1CC(C1)OC(c1ccc(Cl)cc1)c1cccnc1Cl
Show InChI InChI=1S/C22H25Cl2N3O2/c1-15-5-2-3-12-27(15)22(28)26-13-18(14-26)29-20(16-7-9-17(23)10-8-16)19-6-4-11-25-21(19)24/h4,6-11,15,18,20H,2-3,5,12-14H2,1H3
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n/an/a 505n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364280
PNG
(CHEMBL1952278)
Show SMILES Clc1ccc(cc1)C(OC1CN(C1)C(=O)N1CCc2ccccc2C1)c1cccnc1Cl
Show InChI InChI=1S/C25H23Cl2N3O2/c26-20-9-7-18(8-10-20)23(22-6-3-12-28-24(22)27)32-21-15-30(16-21)25(31)29-13-11-17-4-1-2-5-19(17)14-29/h1-10,12,21,23H,11,13-16H2
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n/an/a 531n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50364261
PNG
(CHEMBL1952093)
Show SMILES Clc1ccc(cc1)C(OC1CN(C1)C(=O)N1CCC(Cc2ccccc2)CC1)c1cccnc1Cl
Show InChI InChI=1S/C28H29Cl2N3O2/c29-23-10-8-22(9-11-23)26(25-7-4-14-31-27(25)30)35-24-18-33(19-24)28(34)32-15-12-21(13-16-32)17-20-5-2-1-3-6-20/h1-11,14,21,24,26H,12-13,15-19H2
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n/an/a 537n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cells using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364236
PNG
(CHEMBL1952068)
Show SMILES Clc1ncccc1C(OC1CN(C1)C(=O)N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C21H24ClN3O2/c22-20-18(10-7-11-23-20)19(16-8-3-1-4-9-16)27-17-14-25(15-17)21(26)24-12-5-2-6-13-24/h1,3-4,7-11,17,19H,2,5-6,12-15H2
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n/an/a 556n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364255
PNG
(CHEMBL1952087)
Show SMILES Clc1ccc(cc1)C(OC1CN(C1)C(=O)N1CCCCCC1)c1cccnc1Cl
Show InChI InChI=1S/C22H25Cl2N3O2/c23-17-9-7-16(8-10-17)20(19-6-5-11-25-21(19)24)29-18-14-27(15-18)22(28)26-12-3-1-2-4-13-26/h5-11,18,20H,1-4,12-15H2
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n/an/a 647n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364273
PNG
(CHEMBL1952271)
Show SMILES CN(CCc1ccccc1)C(=O)N1CC(C1)OC(c1ccc(Cl)cc1)c1cccnc1Cl
Show InChI InChI=1S/C25H25Cl2N3O2/c1-29(15-13-18-6-3-2-4-7-18)25(31)30-16-21(17-30)32-23(19-9-11-20(26)12-10-19)22-8-5-14-28-24(22)27/h2-12,14,21,23H,13,15-17H2,1H3
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n/an/a 681n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364241
PNG
(CHEMBL1952073)
Show SMILES COc1cccc(c1)C(OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl
Show InChI InChI=1S/C22H26ClN3O3/c1-28-17-8-5-7-16(13-17)20(19-9-6-10-24-21(19)23)29-18-14-26(15-18)22(27)25-11-3-2-4-12-25/h5-10,13,18,20H,2-4,11-12,14-15H2,1H3
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n/an/a 713n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364239
PNG
(CHEMBL1952071)
Show SMILES COc1ccc(cc1)C(OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl
Show InChI InChI=1S/C22H26ClN3O3/c1-28-17-9-7-16(8-10-17)20(19-6-5-11-24-21(19)23)29-18-14-26(15-18)22(27)25-12-3-2-4-13-25/h5-11,18,20H,2-4,12-15H2,1H3
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n/an/a 715n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364269
PNG
(CHEMBL1952266)
Show SMILES FC1(F)CCN(CC1)C(=O)N1CC(C1)OC(c1ccc(Cl)cc1)c1cccnc1Cl
Show InChI InChI=1S/C21H21Cl2F2N3O2/c22-15-5-3-14(4-6-15)18(17-2-1-9-26-19(17)23)30-16-12-28(13-16)20(29)27-10-7-21(24,25)8-11-27/h1-6,9,16,18H,7-8,10-13H2
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n/an/a 854n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50364235
PNG
(CHEMBL1952280)
Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@@H](c1ccc(Cl)cc1)c1cccnc1Cl |r|
Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m0/s1
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n/an/a 887n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cells using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364248
PNG
(CHEMBL1952080)
Show SMILES Cc1ncccc1C(OC1CN(C1)C(=O)N1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H26ClN3O2/c1-16-20(6-5-11-24-16)21(17-7-9-18(23)10-8-17)28-19-14-26(15-19)22(27)25-12-3-2-4-13-25/h5-11,19,21H,2-4,12-15H2,1H3
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n/an/a 937n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50296484
PNG
((S)-{3-[(4-Chlorophenyl)-(2-chloropyridin-3-yl)met...)
Show SMILES Clc1ccc(cc1)[C@H](OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl |r|
Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-8-6-15(7-9-16)19(18-5-4-10-24-20(18)23)28-17-13-26(14-17)21(27)25-11-2-1-3-12-25/h4-10,17,19H,1-3,11-14H2/t19-/m0/s1
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n/an/a 973n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cells using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50364262
PNG
(CHEMBL1952094)
Show SMILES Clc1ccc(cc1)C(OC1CN(C1)C(=O)N1CCN(Cc2ccccc2)CC1)c1cccnc1Cl
Show InChI InChI=1S/C27H28Cl2N4O2/c28-22-10-8-21(9-11-22)25(24-7-4-12-30-26(24)29)35-23-18-33(19-23)27(34)32-15-13-31(14-16-32)17-20-5-2-1-3-6-20/h1-12,23,25H,13-19H2
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n/an/a 1.09E+3n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cells using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364267
PNG
(CHEMBL1952099)
Show SMILES OCC1CCN(CC1)C(=O)N1CC(C1)OC(c1ccc(Cl)cc1)c1cccnc1Cl
Show InChI InChI=1S/C22H25Cl2N3O3/c23-17-5-3-16(4-6-17)20(19-2-1-9-25-21(19)24)30-18-12-27(13-18)22(29)26-10-7-15(14-28)8-11-26/h1-6,9,15,18,20,28H,7-8,10-14H2
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n/an/a 1.48E+3n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50364258
PNG
(CHEMBL1952090)
Show SMILES CC1CCCN(C1)C(=O)N1CC(C1)OC(c1ccc(Cl)cc1)c1cccnc1Cl
Show InChI InChI=1S/C22H25Cl2N3O2/c1-15-4-3-11-26(12-15)22(28)27-13-18(14-27)29-20(16-6-8-17(23)9-7-16)19-5-2-10-25-21(19)24/h2,5-10,15,18,20H,3-4,11-14H2,1H3
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n/an/a 1.64E+3n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cells using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50296484
PNG
((S)-{3-[(4-Chlorophenyl)-(2-chloropyridin-3-yl)met...)
Show SMILES Clc1ccc(cc1)[C@H](OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl |r|
Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-8-6-15(7-9-16)19(18-5-4-10-24-20(18)23)28-17-13-26(14-17)21(27)25-11-2-1-3-12-25/h4-10,17,19H,1-3,11-14H2/t19-/m0/s1
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n/an/a 2.05E+3n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50364234
PNG
(CHEMBL1952279)
Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@H](c1ccc(Cl)cc1)c1cccnc1Cl |r|
Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m1/s1
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n/an/a 2.09E+3n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cells using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50364268
PNG
(CHEMBL1952265)
Show SMILES FC1CCN(CC1)C(=O)N1CC(C1)OC(c1ccc(Cl)cc1)c1cccnc1Cl
Show InChI InChI=1S/C21H22Cl2FN3O2/c22-15-5-3-14(4-6-15)19(18-2-1-9-25-20(18)23)29-17-12-27(13-17)21(28)26-10-7-16(24)8-11-26/h1-6,9,16-17,19H,7-8,10-13H2
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n/an/a 2.25E+3n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cells using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364250
PNG
(CHEMBL1952082)
Show SMILES COc1ncccc1C(OC1CN(C1)C(=O)N1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H26ClN3O3/c1-28-21-19(6-5-11-24-21)20(16-7-9-17(23)10-8-16)29-18-14-26(15-18)22(27)25-12-3-2-4-13-25/h5-11,18,20H,2-4,12-15H2,1H3
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n/an/a 2.48E+3n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364256
PNG
(CHEMBL1952088)
Show SMILES Clc1ccc(cc1)C(OC1CN(C1)C(=O)N1CCOCC1)c1cccnc1Cl
Show InChI InChI=1S/C20H21Cl2N3O3/c21-15-5-3-14(4-6-15)18(17-2-1-7-23-19(17)22)28-16-12-25(13-16)20(26)24-8-10-27-11-9-24/h1-7,16,18H,8-13H2
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n/an/a 2.48E+3n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364254
PNG
(CHEMBL1952086)
Show SMILES Clc1ccc(cc1)C(OC1CN(C1)C(=O)N1CCC1)c1cccnc1Cl
Show InChI InChI=1S/C19H19Cl2N3O2/c20-14-6-4-13(5-7-14)17(16-3-1-8-22-18(16)21)26-15-11-24(12-15)19(25)23-9-2-10-23/h1,3-8,15,17H,2,9-12H2
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n/an/a 2.63E+3n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364251
PNG
(CHEMBL1952083)
Show SMILES Clc1ccc(cc1)C(OC1CN(C1)C(=O)N1CCCCC1)c1ccc[nH]c1=O
Show InChI InChI=1S/C21H24ClN3O3/c22-16-8-6-15(7-9-16)19(18-5-4-10-23-20(18)26)28-17-13-25(14-17)21(27)24-11-2-1-3-12-24/h4-10,17,19H,1-3,11-14H2,(H,23,26)
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n/an/a 2.67E+3n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364264
PNG
(CHEMBL1952096)
Show SMILES OC1CCN(CC1)C(=O)N1CC(C1)OC(c1ccc(Cl)cc1)c1cccnc1Cl
Show InChI InChI=1S/C21H23Cl2N3O3/c22-15-5-3-14(4-6-15)19(18-2-1-9-24-20(18)23)29-17-12-26(13-17)21(28)25-10-7-16(27)8-11-25/h1-6,9,16-17,19,27H,7-8,10-13H2
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n/an/a 2.88E+3n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364253
PNG
(CHEMBL1952085)
Show SMILES Clc1ccc(cc1)C(OC1CN(C1)C(=O)N1CCCC1)c1cccnc1Cl
Show InChI InChI=1S/C20H21Cl2N3O2/c21-15-7-5-14(6-8-15)18(17-4-3-9-23-19(17)22)27-16-12-25(13-16)20(26)24-10-1-2-11-24/h3-9,16,18H,1-2,10-13H2
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n/an/a 3.12E+3n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364249
PNG
(CHEMBL1952081)
Show SMILES CN(C)c1ncccc1C(OC1CN(C1)C(=O)N1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H29ClN4O2/c1-26(2)22-20(7-6-12-25-22)21(17-8-10-18(24)11-9-17)30-19-15-28(16-19)23(29)27-13-4-3-5-14-27/h6-12,19,21H,3-5,13-16H2,1-2H3
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n/an/a 3.19E+3n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50364245
PNG
(CHEMBL1952077)
Show SMILES Clc1ncccc1C(OC1CN(C1)C(=O)N1CCCCC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C22H24ClN3O4/c23-21-17(5-4-8-24-21)20(15-6-7-18-19(11-15)29-14-28-18)30-16-12-26(13-16)22(27)25-9-2-1-3-10-25/h4-8,11,16,20H,1-3,9-10,12-14H2
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n/an/a 3.32E+3n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cells using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364237
PNG
(CHEMBL1952069)
Show SMILES O=C(N1CC(C1)OC(c1ccccc1)c1cccnc1)N1CCCCC1
Show InChI InChI=1S/C21H25N3O2/c25-21(23-12-5-2-6-13-23)24-15-19(16-24)26-20(17-8-3-1-4-9-17)18-10-7-11-22-14-18/h1,3-4,7-11,14,19-20H,2,5-6,12-13,15-16H2
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n/an/a 3.64E+3n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364279
PNG
(CHEMBL1952277)
Show SMILES Clc1ccc(cc1)C(OC1CN(C1)C(=O)N1Cc2ccccc2C1)c1cccnc1Cl
Show InChI InChI=1S/C24H21Cl2N3O2/c25-19-9-7-16(8-10-19)22(21-6-3-11-27-23(21)26)31-20-14-29(15-20)24(30)28-12-17-4-1-2-5-18(17)13-28/h1-11,20,22H,12-15H2
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n/an/a 3.99E+3n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364234
PNG
(CHEMBL1952279)
Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@H](c1ccc(Cl)cc1)c1cccnc1Cl |r|
Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m1/s1
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n/an/a 4.53E+3n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50364260
PNG
(CHEMBL1952092)
Show SMILES CN1CCN(CC1)C(=O)N1CC(C1)OC(c1ccc(Cl)cc1)c1cccnc1Cl
Show InChI InChI=1S/C21H24Cl2N4O2/c1-25-9-11-26(12-10-25)21(28)27-13-17(14-27)29-19(15-4-6-16(22)7-5-15)18-3-2-8-24-20(18)23/h2-8,17,19H,9-14H2,1H3
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n/an/a 4.58E+3n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
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