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Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'alexander' and Initial = 'jp'   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50021345
PNG
(CHEMBL3287928)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nn(cc1Sc1ccc(Cl)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H16ClFN2O2S2/c1-30(27,28)20-12-2-15(3-13-20)22-21(29-19-10-4-16(23)5-11-19)14-26(25-22)18-8-6-17(24)7-9-18/h2-14H,1H3
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637n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50021331
PNG
(CHEMBL3287930)
Show SMILES CC(C)(O)c1cnc(cn1)-c1nn(cc1Sc1ccc(Cl)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H18ClFN4OS/c1-22(2,29)20-12-25-18(11-26-20)21-19(30-17-9-3-14(23)4-10-17)13-28(27-21)16-7-5-15(24)6-8-16/h3-13,29H,1-2H3
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740n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50350538
PNG
(CHEMBL1812717)
Show SMILES CC(C)(O)c1ccc(cn1)-c1nc(oc1Sc1ccc(Cl)cn1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H17ClFN3O2S/c1-22(2,28)17-9-5-14(11-25-17)19-21(30-18-10-6-15(23)12-26-18)29-20(27-19)13-3-7-16(24)8-4-13/h3-12,28H,1-2H3
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1.25E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50021346
PNG
(CHEMBL3287926)
Show SMILES Clc1ccc(Sc2c[nH]nc2-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C17H13ClN2O2S/c18-12-2-4-13(5-3-12)23-16-10-19-20-17(16)11-1-6-14-15(9-11)22-8-7-21-14/h1-6,9-10H,7-8H2,(H,19,20)
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1.54E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50021329
PNG
(CHEMBL3287932)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cn1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H14ClFN2O3S2/c1-30(26,27)17-9-4-13(5-10-17)19-21(29-18-11-6-15(22)12-24-18)28-20(25-19)14-2-7-16(23)8-3-14/h2-12H,1H3
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2.50E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50021344
PNG
(CHEMBL3287929)
Show SMILES Clc1ccc(Sc2cn(nc2-c2ccc(cc2)-c2ncon2)-c2cccnc2)cc1
Show InChI InChI=1S/C22H14ClN5OS/c23-17-7-9-19(10-8-17)30-20-13-28(18-2-1-11-24-12-18)26-21(20)15-3-5-16(6-4-15)22-25-14-29-27-22/h1-14H
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5.21E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50021334
PNG
(CHEMBL3287931)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C22H16ClNO3S2/c1-29(25,26)19-13-7-15(8-14-19)20-22(28-18-11-9-17(23)10-12-18)27-21(24-20)16-5-3-2-4-6-16/h2-14H,1H3
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2.85E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50021330
PNG
(CHEMBL3287927)
Show SMILES Clc1ccc(Sc2cn(nc2-c2ccc3OCCOc3c2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H17ClN2O2S/c24-17-7-9-19(10-8-17)29-22-15-26(18-4-2-1-3-5-18)25-23(22)16-6-11-20-21(14-16)28-13-12-27-20/h1-11,14-15H,12-13H2
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>3.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM26736
PNG
(CHEMBL509860 | LY2183240 | N,N-dimethyl-5-[(4-phen...)
Show SMILES CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
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n/an/a 0.0900n/an/an/an/a7.422



The Scripps Research Institute



Assay Description
Serine hydrolase targets were recombinantly expressed in COS-7 cells by transient transfection. IC50 values were obtained by competitive ABPP with F...


J Am Chem Soc 128: 9699-704 (2006)


Article DOI: 10.1021/ja062999h
BindingDB Entry DOI: 10.7270/Q20K26VX
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50021344
PNG
(CHEMBL3287929)
Show SMILES Clc1ccc(Sc2cn(nc2-c2ccc(cc2)-c2ncon2)-c2cccnc2)cc1
Show InChI InChI=1S/C22H14ClN5OS/c23-17-7-9-19(10-8-17)30-20-13-28(18-2-1-11-24-12-18)26-21(20)15-3-5-16(6-4-15)22-25-14-29-27-22/h1-14H
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n/an/a 4.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM26736
PNG
(CHEMBL509860 | LY2183240 | N,N-dimethyl-5-[(4-phen...)
Show SMILES CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
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n/an/a 5.30n/an/an/an/a7.422



The Scripps Research Institute



Assay Description
Serine hydrolase targets were recombinantly expressed in COS-7 cells by transient transfection. IC50 values were obtained by competitive ABPP with F...


J Am Chem Soc 128: 9699-704 (2006)


Article DOI: 10.1021/ja062999h
BindingDB Entry DOI: 10.7270/Q20K26VX
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50021345
PNG
(CHEMBL3287928)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nn(cc1Sc1ccc(Cl)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H16ClFN2O2S2/c1-30(27,28)20-12-2-15(3-13-20)22-21(29-19-10-4-16(23)5-11-19)14-26(25-22)18-8-6-17(24)7-9-18/h2-14H,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50021334
PNG
(CHEMBL3287931)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C22H16ClNO3S2/c1-29(25,26)19-13-7-15(8-14-19)20-22(28-18-11-9-17(23)10-12-18)27-21(24-20)16-5-3-2-4-6-16/h2-14H,1H3
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50021330
PNG
(CHEMBL3287927)
Show SMILES Clc1ccc(Sc2cn(nc2-c2ccc3OCCOc3c2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H17ClN2O2S/c24-17-7-9-19(10-8-17)29-22-15-26(18-4-2-1-3-5-18)25-23(22)16-6-11-20-21(14-16)28-13-12-27-20/h1-11,14-15H,12-13H2
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
KIAA1363


(Mus musculus (mouse))
BDBM26736
PNG
(CHEMBL509860 | LY2183240 | N,N-dimethyl-5-[(4-phen...)
Show SMILES CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
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n/an/a 8.20n/an/an/an/a7.422



The Scripps Research Institute



Assay Description
Serine hydrolase targets were recombinantly expressed in COS-7 cells by transient transfection. IC50 values were obtained by competitive ABPP with F...


J Am Chem Soc 128: 9699-704 (2006)


Article DOI: 10.1021/ja062999h
BindingDB Entry DOI: 10.7270/Q20K26VX
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50021331
PNG
(CHEMBL3287930)
Show SMILES CC(C)(O)c1cnc(cn1)-c1nn(cc1Sc1ccc(Cl)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H18ClFN4OS/c1-22(2,29)20-12-25-18(11-26-20)21-19(30-17-9-3-14(23)4-10-17)13-28(27-21)16-7-5-15(24)6-8-16/h3-13,29H,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50350538
PNG
(CHEMBL1812717)
Show SMILES CC(C)(O)c1ccc(cn1)-c1nc(oc1Sc1ccc(Cl)cn1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H17ClFN3O2S/c1-22(2,28)17-9-5-14(11-25-17)19-21(30-18-10-6-15(23)12-26-18)29-20(27-19)13-3-7-16(24)8-4-13/h3-12,28H,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50350538
PNG
(CHEMBL1812717)
Show SMILES CC(C)(O)c1ccc(cn1)-c1nc(oc1Sc1ccc(Cl)cn1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H17ClFN3O2S/c1-22(2,28)17-9-5-14(11-25-17)19-21(30-18-10-6-15(23)12-26-18)29-20(27-19)13-3-7-16(24)8-4-13/h3-12,28H,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM26736
PNG
(CHEMBL509860 | LY2183240 | N,N-dimethyl-5-[(4-phen...)
Show SMILES CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
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n/an/a 13n/an/an/an/a7.422



The Scripps Research Institute



Assay Description
Mouse brain membrane proteomes were preincubated with varying concentrations of inhibitors for 10 min prior to the addition of a rhodamine-tagged flu...


J Am Chem Soc 128: 9699-704 (2006)


Article DOI: 10.1021/ja062999h
BindingDB Entry DOI: 10.7270/Q20K26VX
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50021344
PNG
(CHEMBL3287929)
Show SMILES Clc1ccc(Sc2cn(nc2-c2ccc(cc2)-c2ncon2)-c2cccnc2)cc1
Show InChI InChI=1S/C22H14ClN5OS/c23-17-7-9-19(10-8-17)30-20-13-28(18-2-1-11-24-12-18)26-21(20)15-3-5-16(6-4-15)22-25-14-29-27-22/h1-14H
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50021334
PNG
(CHEMBL3287931)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C22H16ClNO3S2/c1-29(25,26)19-13-7-15(8-14-19)20-22(28-18-11-9-17(23)10-12-18)27-21(24-20)16-5-3-2-4-6-16/h2-14H,1H3
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50021345
PNG
(CHEMBL3287928)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nn(cc1Sc1ccc(Cl)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H16ClFN2O2S2/c1-30(27,28)20-12-2-15(3-13-20)22-21(29-19-10-4-16(23)5-11-19)14-26(25-22)18-8-6-17(24)7-9-18/h2-14H,1H3
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM26740
PNG
(N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carbo...)
Show SMILES O=C(Nc1ccccc1)N1CCC(Cc2cnc3ccccc3c2)CC1
Show InChI InChI=1S/C22H23N3O/c26-22(24-20-7-2-1-3-8-20)25-12-10-17(11-13-25)14-18-15-19-6-4-5-9-21(19)23-16-18/h1-9,15-17H,10-14H2,(H,24,26)
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n/an/a 16.2n/an/an/an/a7.430



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Assay Description
FAAH activity was measured by following the production of ammonia generated from the hydrolysis of oleamide by FAAH. GDH catalyzes the condensation o...


Biochemistry 46: 13019-30 (2007)


Article DOI: 10.1021/bi701378g
BindingDB Entry DOI: 10.7270/Q2VT1QCN
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50021329
PNG
(CHEMBL3287932)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cn1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H14ClFN2O3S2/c1-30(26,27)17-9-4-13(5-10-17)19-21(29-18-11-6-15(22)12-24-18)28-20(25-19)14-2-7-16(23)8-3-14/h2-12H,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50021330
PNG
(CHEMBL3287927)
Show SMILES Clc1ccc(Sc2cn(nc2-c2ccc3OCCOc3c2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H17ClN2O2S/c24-17-7-9-19(10-8-17)29-22-15-26(18-4-2-1-3-5-18)25-23(22)16-6-11-20-21(14-16)28-13-12-27-20/h1-11,14-15H,12-13H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50021329
PNG
(CHEMBL3287932)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cn1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H14ClFN2O3S2/c1-30(26,27)17-9-4-13(5-10-17)19-21(29-18-11-6-15(22)12-24-18)28-20(25-19)14-2-7-16(23)8-3-14/h2-12H,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50021331
PNG
(CHEMBL3287930)
Show SMILES CC(C)(O)c1cnc(cn1)-c1nn(cc1Sc1ccc(Cl)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H18ClFN4OS/c1-22(2,29)20-12-25-18(11-26-20)21-19(30-17-9-3-14(23)4-10-17)13-28(27-21)16-7-5-15(24)6-8-16/h3-13,29H,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM26741
PNG
(N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carbo...)
Show SMILES O=C(Nc1ccccc1)N1CCN(Cc2ccc3ccccc3n2)CC1
Show InChI InChI=1S/C21H22N4O/c26-21(23-18-7-2-1-3-8-18)25-14-12-24(13-15-25)16-19-11-10-17-6-4-5-9-20(17)22-19/h1-11H,12-16H2,(H,23,26)
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n/an/a 33n/an/an/an/a7.430



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Assay Description
FAAH activity was measured by following the production of ammonia generated from the hydrolysis of oleamide by FAAH. GDH catalyzes the condensation o...


Biochemistry 46: 13019-30 (2007)


Article DOI: 10.1021/bi701378g
BindingDB Entry DOI: 10.7270/Q2VT1QCN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM26740
PNG
(N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carbo...)
Show SMILES O=C(Nc1ccccc1)N1CCC(Cc2cnc3ccccc3c2)CC1
Show InChI InChI=1S/C22H23N3O/c26-22(24-20-7-2-1-3-8-20)25-12-10-17(11-13-25)14-18-15-19-6-4-5-9-21(19)23-16-18/h1-9,15-17H,10-14H2,(H,24,26)
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n/an/a 51.9n/an/an/an/a7.430



Pfizer



Assay Description
FAAH activity was measured by following the production of ammonia generated from the hydrolysis of oleamide by FAAH. GDH catalyzes the condensation o...


Biochemistry 46: 13019-30 (2007)


Article DOI: 10.1021/bi701378g
BindingDB Entry DOI: 10.7270/Q2VT1QCN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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n/an/a 109n/an/an/an/a7.430



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Assay Description
FAAH activity was measured by following the production of ammonia generated from the hydrolysis of oleamide by FAAH. GDH catalyzes the condensation o...


Biochemistry 46: 13019-30 (2007)


Article DOI: 10.1021/bi701378g
BindingDB Entry DOI: 10.7270/Q2VT1QCN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50021346
PNG
(CHEMBL3287926)
Show SMILES Clc1ccc(Sc2c[nH]nc2-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C17H13ClN2O2S/c18-12-2-4-13(5-3-12)23-16-10-19-20-17(16)11-1-6-14-15(9-11)22-8-7-21-14/h1-6,9-10H,7-8H2,(H,19,20)
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n/an/a 119n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50021346
PNG
(CHEMBL3287926)
Show SMILES Clc1ccc(Sc2c[nH]nc2-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C17H13ClN2O2S/c18-12-2-4-13(5-3-12)23-16-10-19-20-17(16)11-1-6-14-15(9-11)22-8-7-21-14/h1-6,9-10H,7-8H2,(H,19,20)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH lysate using AMCAA as substrate by fluorescence assay


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM23120
PNG
(7-phenyl-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]hepta...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C21H22N2O2/c24-19(14-7-2-1-4-10-17-11-5-3-6-12-17)21-23-16-20(25-21)18-13-8-9-15-22-18/h3,5-6,8-9,11-13,15-16H,1-2,4,7,10,14H2
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n/an/a 208n/an/an/an/a7.430



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Assay Description
FAAH activity was measured by following the production of ammonia generated from the hydrolysis of oleamide by FAAH. GDH catalyzes the condensation o...


Biochemistry 46: 13019-30 (2007)


Article DOI: 10.1021/bi701378g
BindingDB Entry DOI: 10.7270/Q2VT1QCN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM23120
PNG
(7-phenyl-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]hepta...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C21H22N2O2/c24-19(14-7-2-1-4-10-17-11-5-3-6-12-17)21-23-16-20(25-21)18-13-8-9-15-22-18/h3,5-6,8-9,11-13,15-16H,1-2,4,7,10,14H2
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n/an/a 230n/an/an/an/a7.430



Pfizer



Assay Description
FAAH activity was measured by following the production of ammonia generated from the hydrolysis of oleamide by FAAH. GDH catalyzes the condensation o...


Biochemistry 46: 13019-30 (2007)


Article DOI: 10.1021/bi701378g
BindingDB Entry DOI: 10.7270/Q2VT1QCN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM26740
PNG
(N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carbo...)
Show SMILES O=C(Nc1ccccc1)N1CCC(Cc2cnc3ccccc3c2)CC1
Show InChI InChI=1S/C22H23N3O/c26-22(24-20-7-2-1-3-8-20)25-12-10-17(11-13-25)14-18-15-19-6-4-5-9-21(19)23-16-18/h1-9,15-17H,10-14H2,(H,24,26)
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n/an/a 248n/an/an/an/a7.430



Pfizer



Assay Description
FAAH activity was measured by following the production of ammonia generated from the hydrolysis of oleamide by FAAH. GDH catalyzes the condensation o...


Biochemistry 46: 13019-30 (2007)


Article DOI: 10.1021/bi701378g
BindingDB Entry DOI: 10.7270/Q2VT1QCN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM23120
PNG
(7-phenyl-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]hepta...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C21H22N2O2/c24-19(14-7-2-1-4-10-17-11-5-3-6-12-17)21-23-16-20(25-21)18-13-8-9-15-22-18/h3,5-6,8-9,11-13,15-16H,1-2,4,7,10,14H2
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n/an/a 252n/an/an/an/a7.430



Pfizer



Assay Description
FAAH activity was measured by following the production of ammonia generated from the hydrolysis of oleamide by FAAH. GDH catalyzes the condensation o...


Biochemistry 46: 13019-30 (2007)


Article DOI: 10.1021/bi701378g
BindingDB Entry DOI: 10.7270/Q2VT1QCN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM23120
PNG
(7-phenyl-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]hepta...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C21H22N2O2/c24-19(14-7-2-1-4-10-17-11-5-3-6-12-17)21-23-16-20(25-21)18-13-8-9-15-22-18/h3,5-6,8-9,11-13,15-16H,1-2,4,7,10,14H2
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n/an/a 297n/an/an/an/a7.430



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Assay Description
FAAH activity was measured by following the production of ammonia generated from the hydrolysis of oleamide by FAAH. GDH catalyzes the condensation o...


Biochemistry 46: 13019-30 (2007)


Article DOI: 10.1021/bi701378g
BindingDB Entry DOI: 10.7270/Q2VT1QCN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM26741
PNG
(N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carbo...)
Show SMILES O=C(Nc1ccccc1)N1CCN(Cc2ccc3ccccc3n2)CC1
Show InChI InChI=1S/C21H22N4O/c26-21(23-18-7-2-1-3-8-18)25-14-12-24(13-15-25)16-19-11-10-17-6-4-5-9-20(17)22-19/h1-11H,12-16H2,(H,23,26)
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n/an/a 473n/an/an/an/a7.430



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Assay Description
FAAH activity was measured by following the production of ammonia generated from the hydrolysis of oleamide by FAAH. GDH catalyzes the condensation o...


Biochemistry 46: 13019-30 (2007)


Article DOI: 10.1021/bi701378g
BindingDB Entry DOI: 10.7270/Q2VT1QCN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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n/an/a 572n/an/an/an/a7.430



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Assay Description
FAAH activity was measured by following the production of ammonia generated from the hydrolysis of oleamide by FAAH. GDH catalyzes the condensation o...


Biochemistry 46: 13019-30 (2007)


Article DOI: 10.1021/bi701378g
BindingDB Entry DOI: 10.7270/Q2VT1QCN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM26740
PNG
(N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carbo...)
Show SMILES O=C(Nc1ccccc1)N1CCC(Cc2cnc3ccccc3c2)CC1
Show InChI InChI=1S/C22H23N3O/c26-22(24-20-7-2-1-3-8-20)25-12-10-17(11-13-25)14-18-15-19-6-4-5-9-21(19)23-16-18/h1-9,15-17H,10-14H2,(H,24,26)
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n/an/a 595n/an/an/an/a7.430



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Assay Description
FAAH activity was measured by following the production of ammonia generated from the hydrolysis of oleamide by FAAH. GDH catalyzes the condensation o...


Biochemistry 46: 13019-30 (2007)


Article DOI: 10.1021/bi701378g
BindingDB Entry DOI: 10.7270/Q2VT1QCN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM26741
PNG
(N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carbo...)
Show SMILES O=C(Nc1ccccc1)N1CCN(Cc2ccc3ccccc3n2)CC1
Show InChI InChI=1S/C21H22N4O/c26-21(23-18-7-2-1-3-8-18)25-14-12-24(13-15-25)16-19-11-10-17-6-4-5-9-20(17)22-19/h1-11H,12-16H2,(H,23,26)
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n/an/a 687n/an/an/an/a7.430



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Assay Description
FAAH activity was measured by following the production of ammonia generated from the hydrolysis of oleamide by FAAH. GDH catalyzes the condensation o...


Biochemistry 46: 13019-30 (2007)


Article DOI: 10.1021/bi701378g
BindingDB Entry DOI: 10.7270/Q2VT1QCN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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n/an/a 856n/an/an/an/a7.430



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Assay Description
FAAH activity was measured by following the production of ammonia generated from the hydrolysis of oleamide by FAAH. GDH catalyzes the condensation o...


Biochemistry 46: 13019-30 (2007)


Article DOI: 10.1021/bi701378g
BindingDB Entry DOI: 10.7270/Q2VT1QCN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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n/an/a 986n/an/an/an/a7.430



Pfizer



Assay Description
FAAH activity was measured by following the production of ammonia generated from the hydrolysis of oleamide by FAAH. GDH catalyzes the condensation o...


Biochemistry 46: 13019-30 (2007)


Article DOI: 10.1021/bi701378g
BindingDB Entry DOI: 10.7270/Q2VT1QCN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM26741
PNG
(N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carbo...)
Show SMILES O=C(Nc1ccccc1)N1CCN(Cc2ccc3ccccc3n2)CC1
Show InChI InChI=1S/C21H22N4O/c26-21(23-18-7-2-1-3-8-18)25-14-12-24(13-15-25)16-19-11-10-17-6-4-5-9-20(17)22-19/h1-11H,12-16H2,(H,23,26)
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
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UniChem

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PubMed
n/an/a 991n/an/an/an/a7.430



Pfizer



Assay Description
FAAH activity was measured by following the production of ammonia generated from the hydrolysis of oleamide by FAAH. GDH catalyzes the condensation o...


Biochemistry 46: 13019-30 (2007)


Article DOI: 10.1021/bi701378g
BindingDB Entry DOI: 10.7270/Q2VT1QCN
More data for this
Ligand-Target Pair