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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50042995   
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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434318
PNG
(CHEMBL2386566)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H22ClN3OS/c1-25(2)21(27)19-12-18(19)14-4-6-15(7-5-14)20-22(26(3)13-24-20)28-17-10-8-16(23)9-11-17/h4-11,13,18-19H,12H2,1-3H3/t18-,19+/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50434329
PNG
(CHEMBL2386554)
Show SMILES Cn1cc(Sc2ccc(Cl)cc2)c(n1)-c1ccc2ccc(nc2c1)C(N)=O
Show InChI InChI=1S/C20H15ClN4OS/c1-25-11-18(27-15-7-5-14(21)6-8-15)19(24-25)13-3-2-12-4-9-16(20(22)26)23-17(12)10-13/h2-11H,1H3,(H2,22,26)
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n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434329
PNG
(CHEMBL2386554)
Show SMILES Cn1cc(Sc2ccc(Cl)cc2)c(n1)-c1ccc2ccc(nc2c1)C(N)=O
Show InChI InChI=1S/C20H15ClN4OS/c1-25-11-18(27-15-7-5-14(21)6-8-15)19(24-25)13-3-2-12-4-9-16(20(22)26)23-17(12)10-13/h2-11H,1H3,(H2,22,26)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434316
PNG
(CHEMBL2386568)
Show SMILES CNC(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H20ClN3OS/c1-23-20(26)18-11-17(18)13-3-5-14(6-4-13)19-21(25(2)12-24-19)27-16-9-7-15(22)8-10-16/h3-10,12,17-18H,11H2,1-2H3,(H,23,26)/t17-,18+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50434318
PNG
(CHEMBL2386566)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H22ClN3OS/c1-25(2)21(27)19-12-18(19)14-4-6-15(7-5-14)20-22(26(3)13-24-20)28-17-10-8-16(23)9-11-17/h4-11,13,18-19H,12H2,1-3H3/t18-,19+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434317
PNG
(CHEMBL2386567)
Show SMILES Cn1cnc(c1Sc1ccc(Cl)cc1)-c1ccc(cc1)[C@H]1C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C20H18ClN3OS/c1-24-11-23-18(20(24)26-15-8-6-14(21)7-9-15)13-4-2-12(3-5-13)16-10-17(16)19(22)25/h2-9,11,16-17H,10H2,1H3,(H2,22,25)/t16-,17+/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434313
PNG
(CHEMBL2386571)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C21H21ClN4OS/c1-25(2)20(27)17-10-16(17)13-4-6-14(7-5-13)19-21(26(3)12-24-19)28-18-9-8-15(22)11-23-18/h4-9,11-12,16-17H,10H2,1-3H3/t16-,17+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434315
PNG
(CHEMBL2386569)
Show SMILES Cn1cnc(c1Sc1ccc(Cl)cc1)-c1ccc(cc1)[C@H]1C[C@@H]1C(=O)NCCF |r|
Show InChI InChI=1S/C22H21ClFN3OS/c1-27-13-26-20(22(27)29-17-8-6-16(23)7-9-17)15-4-2-14(3-5-15)18-12-19(18)21(28)25-11-10-24/h2-9,13,18-19H,10-12H2,1H3,(H,25,28)/t18-,19+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434314
PNG
(CHEMBL2386570)
Show SMILES CN(CCF)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H23ClFN3OS/c1-27(12-11-25)22(29)20-13-19(20)15-3-5-16(6-4-15)21-23(28(2)14-26-21)30-18-9-7-17(24)8-10-18/h3-10,14,19-20H,11-13H2,1-2H3/t19-,20+/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434322
PNG
(CHEMBL2386562)
Show SMILES CNC(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C20H19ClN4OS/c1-22-19(26)16-9-15(16)12-3-5-13(6-4-12)18-20(25(2)11-24-18)27-17-8-7-14(21)10-23-17/h3-8,10-11,15-16H,9H2,1-2H3,(H,22,26)/t15-,16+/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50434314
PNG
(CHEMBL2386570)
Show SMILES CN(CCF)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H23ClFN3OS/c1-27(12-11-25)22(29)20-13-19(20)15-3-5-16(6-4-15)21-23(28(2)14-26-21)30-18-9-7-17(24)8-10-18/h3-10,14,19-20H,11-13H2,1-2H3/t19-,20+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50434315
PNG
(CHEMBL2386569)
Show SMILES Cn1cnc(c1Sc1ccc(Cl)cc1)-c1ccc(cc1)[C@H]1C[C@@H]1C(=O)NCCF |r|
Show InChI InChI=1S/C22H21ClFN3OS/c1-27-13-26-20(22(27)29-17-8-6-16(23)7-9-17)15-4-2-14(3-5-15)18-12-19(18)21(28)25-11-10-24/h2-9,13,18-19H,10-12H2,1H3,(H,25,28)/t18-,19+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50434316
PNG
(CHEMBL2386568)
Show SMILES CNC(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H20ClN3OS/c1-23-20(26)18-11-17(18)13-3-5-14(6-4-13)19-21(25(2)12-24-19)27-16-9-7-15(22)8-10-16/h3-10,12,17-18H,11H2,1-2H3,(H,23,26)/t17-,18+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434320
PNG
(CHEMBL2386564)
Show SMILES Cn1cnc(c1Sc1ccc(Cl)cn1)-c1ccc(cc1)[C@H]1C[C@@H]1C(=O)NCCF |r|
Show InChI InChI=1S/C21H20ClFN4OS/c1-27-12-26-19(21(27)29-18-7-6-15(22)11-25-18)14-4-2-13(3-5-14)16-10-17(16)20(28)24-9-8-23/h2-7,11-12,16-17H,8-10H2,1H3,(H,24,28)/t16-,17+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50434313
PNG
(CHEMBL2386571)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C21H21ClN4OS/c1-25(2)20(27)17-10-16(17)13-4-6-14(7-5-13)19-21(26(3)12-24-19)28-18-9-8-15(22)11-23-18/h4-9,11-12,16-17H,10H2,1-3H3/t16-,17+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50434317
PNG
(CHEMBL2386567)
Show SMILES Cn1cnc(c1Sc1ccc(Cl)cc1)-c1ccc(cc1)[C@H]1C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C20H18ClN3OS/c1-24-11-23-18(20(24)26-15-8-6-14(21)7-9-15)13-4-2-12(3-5-13)16-10-17(16)19(22)25/h2-9,11,16-17H,10H2,1H3,(H2,22,25)/t16-,17+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434319
PNG
(CHEMBL2386565)
Show SMILES CN(CCF)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C22H22ClFN4OS/c1-27(10-9-24)21(29)18-11-17(18)14-3-5-15(6-4-14)20-22(28(2)13-26-20)30-19-8-7-16(23)12-25-19/h3-8,12-13,17-18H,9-11H2,1-2H3/t17-,18+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50434319
PNG
(CHEMBL2386565)
Show SMILES CN(CCF)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C22H22ClFN4OS/c1-27(10-9-24)21(29)18-11-17(18)14-3-5-15(6-4-14)20-22(28(2)13-26-20)30-19-8-7-16(23)12-25-19/h3-8,12-13,17-18H,9-11H2,1-2H3/t17-,18+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434321
PNG
(CHEMBL2386563)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(CCF)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C22H22ClFN4OS/c1-27(2)21(29)18-11-17(18)14-3-5-15(6-4-14)20-22(28(10-9-24)13-26-20)30-19-8-7-16(23)12-25-19/h3-8,12-13,17-18H,9-11H2,1-2H3/t17-,18+/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434323
PNG
(CHEMBL2386561)
Show SMILES Cn1cnc(c1Sc1ccc(Cl)cn1)-c1ccc(cc1)[C@H]1C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C19H17ClN4OS/c1-24-10-23-17(19(24)26-16-7-6-13(20)9-22-16)12-4-2-11(3-5-12)14-8-15(14)18(21)25/h2-7,9-10,14-15H,8H2,1H3,(H2,21,25)/t14-,15+/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50434320
PNG
(CHEMBL2386564)
Show SMILES Cn1cnc(c1Sc1ccc(Cl)cn1)-c1ccc(cc1)[C@H]1C[C@@H]1C(=O)NCCF |r|
Show InChI InChI=1S/C21H20ClFN4OS/c1-27-12-26-19(21(27)29-18-7-6-15(22)11-25-18)14-4-2-13(3-5-14)16-10-17(16)20(28)24-9-8-23/h2-7,11-12,16-17H,8-10H2,1H3,(H,24,28)/t16-,17+/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50434328
PNG
(CHEMBL2386555)
Show SMILES NC(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1nn(cc1Sc1ccc(Cl)cc1)C1CC1 |r|
Show InChI InChI=1S/C22H20ClN3OS/c23-15-5-9-17(10-6-15)28-20-12-26(16-7-8-16)25-21(20)14-3-1-13(2-4-14)18-11-19(18)22(24)27/h1-6,9-10,12,16,18-19H,7-8,11H2,(H2,24,27)/t18-,19+/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50434321
PNG
(CHEMBL2386563)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(CCF)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C22H22ClFN4OS/c1-27(2)21(29)18-11-17(18)14-3-5-15(6-4-14)20-22(28(10-9-24)13-26-20)30-19-8-7-16(23)12-25-19/h3-8,12-13,17-18H,9-11H2,1-2H3/t17-,18+/m1/s1
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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 expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434328
PNG
(CHEMBL2386555)
Show SMILES NC(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1nn(cc1Sc1ccc(Cl)cc1)C1CC1 |r|
Show InChI InChI=1S/C22H20ClN3OS/c23-15-5-9-17(10-6-15)28-20-12-26(16-7-8-16)25-21(20)14-3-1-13(2-4-14)18-11-19(18)22(24)27/h1-6,9-10,12,16,18-19H,7-8,11H2,(H2,24,27)/t18-,19+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50434322
PNG
(CHEMBL2386562)
Show SMILES CNC(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C20H19ClN4OS/c1-22-19(26)16-9-15(16)12-3-5-13(6-4-12)18-20(25(2)11-24-18)27-17-8-7-14(21)10-23-17/h3-8,10-11,15-16H,9H2,1-2H3,(H,22,26)/t15-,16+/m1/s1
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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 expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50434323
PNG
(CHEMBL2386561)
Show SMILES Cn1cnc(c1Sc1ccc(Cl)cn1)-c1ccc(cc1)[C@H]1C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C19H17ClN4OS/c1-24-10-23-17(19(24)26-16-7-6-13(20)9-22-16)12-4-2-11(3-5-12)14-8-15(14)18(21)25/h2-7,9-10,14-15H,8H2,1H3,(H2,21,25)/t14-,15+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434326
PNG
(CHEMBL2386557)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1nc(C)n(C)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C22H23ClN4OS/c1-13-25-20(22(27(13)4)29-19-10-9-16(23)12-24-19)15-7-5-14(6-8-15)17-11-18(17)21(28)26(2)3/h5-10,12,17-18H,11H2,1-4H3/t17-,18+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50434326
PNG
(CHEMBL2386557)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1nc(C)n(C)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C22H23ClN4OS/c1-13-25-20(22(27(13)4)29-19-10-9-16(23)12-24-19)15-7-5-14(6-8-15)17-11-18(17)21(28)26(2)3/h5-10,12,17-18H,11H2,1-4H3/t17-,18+/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434327
PNG
(CHEMBL2386556)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1nc(C2CC2)n(C)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C24H25ClN4OS/c1-28(2)23(30)19-12-18(19)14-4-6-15(7-5-14)21-24(29(3)22(27-21)16-8-9-16)31-20-11-10-17(25)13-26-20/h4-7,10-11,13,16,18-19H,8-9,12H2,1-3H3/t18-,19+/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50434327
PNG
(CHEMBL2386556)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1nc(C2CC2)n(C)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C24H25ClN4OS/c1-28(2)23(30)19-12-18(19)14-4-6-15(7-5-14)21-24(29(3)22(27-21)16-8-9-16)31-20-11-10-17(25)13-26-20/h4-7,10-11,13,16,18-19H,8-9,12H2,1-3H3/t18-,19+/m1/s1
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n/an/a 106n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50434324
PNG
(CHEMBL2386560)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1nc[nH]c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C20H19ClN4OS/c1-25(2)20(26)16-9-15(16)12-3-5-13(6-4-12)18-19(24-11-23-18)27-17-8-7-14(21)10-22-17/h3-8,10-11,15-16H,9H2,1-2H3,(H,23,24)/t15-,16+/m1/s1
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n/an/a 145n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434324
PNG
(CHEMBL2386560)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1nc[nH]c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C20H19ClN4OS/c1-25(2)20(26)16-9-15(16)12-3-5-13(6-4-12)18-19(24-11-23-18)27-17-8-7-14(21)10-22-17/h3-8,10-11,15-16H,9H2,1-2H3,(H,23,24)/t15-,16+/m1/s1
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n/an/a 650n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434325
PNG
(CHEMBL2386559)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1c(Sc2ccc(Cl)cn2)ncn1C |r|
Show InChI InChI=1S/C21H21ClN4OS/c1-25(2)21(27)17-10-16(17)13-4-6-14(7-5-13)19-20(24-12-26(19)3)28-18-9-8-15(22)11-23-18/h4-9,11-12,16-17H,10H2,1-3H3/t16-,17+/m1/s1
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n/an/a 839n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50434325
PNG
(CHEMBL2386559)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1c(Sc2ccc(Cl)cn2)ncn1C |r|
Show InChI InChI=1S/C21H21ClN4OS/c1-25(2)21(27)17-10-16(17)13-4-6-14(7-5-13)19-20(24-12-26(19)3)28-18-9-8-15(22)11-23-18/h4-9,11-12,16-17H,10H2,1-3H3/t16-,17+/m1/s1
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n/an/a 1.39E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434313
PNG
(CHEMBL2386571)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C21H21ClN4OS/c1-25(2)20(27)17-10-16(17)13-4-6-14(7-5-13)19-21(26(3)12-24-19)28-18-9-8-15(22)11-23-18/h4-9,11-12,16-17H,10H2,1-3H3/t16-,17+/m1/s1
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n/an/an/a 0.800n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to FAAH in human cortical homogenates


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50434313
PNG
(CHEMBL2386571)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C21H21ClN4OS/c1-25(2)20(27)17-10-16(17)13-4-6-14(7-5-13)19-21(26(3)12-24-19)28-18-9-8-15(22)11-23-18/h4-9,11-12,16-17H,10H2,1-3H3/t16-,17+/m1/s1
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n/an/an/a 0.600n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to FAAH in rat cortical homogenates


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair