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PubMed code 19515560

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
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))
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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560n/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 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(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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7.19E+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 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
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 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
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/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of FAAH


Bioorg Med Chem Lett 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
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 22n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH incubated 3 hrs prior to addition of arachidonylaminomethylcoumarin amide


Bioorg Med Chem Lett 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
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/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of FAAH


Bioorg Med Chem Lett 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50244718
PNG
(CHEMBL460273 | JNJ-1661010 | N-phenyl-4-(3-phenyl-...)
Show SMILES O=C(Nc1ccccc1)N1CCN(CC1)c1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C19H19N5OS/c25-18(20-16-9-5-2-6-10-16)23-11-13-24(14-12-23)19-21-17(22-26-19)15-7-3-1-4-8-15/h1-10H,11-14H2,(H,20,25)
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n/an/a 33n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of FAAH


Bioorg Med Chem Lett 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
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 63n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH incubated 1 hr prior to addition of arachidonylaminomethylcoumarin amide


Bioorg Med Chem Lett 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
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 78n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human FAAH incubated 3 hrs prior to addition of arachidonylaminomethylcoumarin amide


Bioorg Med Chem Lett 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
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 78n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human FAAH incubated 1 hr prior to addition of arachidonylaminomethylcoumarin amide


Bioorg Med Chem Lett 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
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/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of FAAH


Bioorg Med Chem Lett 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
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 112n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH incubated 1 hr prior to addition of arachidonylaminomethylcoumarin amide


Bioorg Med Chem Lett 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
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 119n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human FAAH incubated 1 hr prior to addition of arachidonylaminomethylcoumarin amide


Bioorg Med Chem Lett 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
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 140n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human FAAH incubated 1 hr prior to addition of arachidonylaminomethylcoumarin amide


Bioorg Med Chem Lett 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
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 188n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human FAAH incubated 3 hrs prior to addition of arachidonylaminomethylcoumarin amide


Bioorg Med Chem Lett 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
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/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of FAAH


Bioorg Med Chem Lett 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
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 291n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human FAAH incubated 1 hr prior to addition of arachidonylaminomethylcoumarin amide


Bioorg Med Chem Lett 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
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 306n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH incubated 3 hrs prior to addition of arachidonylaminomethylcoumarin amide


Bioorg Med Chem Lett 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(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 531n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH incubated 3 hrs prior to addition of arachidonylaminomethylcoumarin amide


Bioorg Med Chem Lett 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(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 1.03E+3n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH incubated 1 hr prior to addition of arachidonylaminomethylcoumarin amide


Bioorg Med Chem Lett 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human FAAH incubated 1 hr prior to addition of arachidonylaminomethylcoumarin amide


Bioorg Med Chem Lett 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 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
PDB

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antibodypedia
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CHEMBL
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UniChem
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human FAAH incubated 3 hrs prior to addition of arachidonylaminomethylcoumarin amide


Bioorg Med Chem Lett 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC sid
UniChem
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH incubated 3 hrs prior to addition of arachidonylaminomethylcoumarin amide


Bioorg Med Chem Lett 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH incubated 1 hr prior to addition of arachidonylaminomethylcoumarin amide


Bioorg Med Chem Lett 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%