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Compile Data Set for Download or QSAR

Found 185 hits with Last Name = 'price' and Initial = 't'   
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))
BDBM50166873
PNG
(CHEMBL3800456)
Show SMILES Cc1ccccc1OC(=O)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:24|
Show InChI InChI=1S/C21H19NO5/c1-13-3-4-16(11-14(13)2)18(23)12-27-21(26)15-5-7-17(8-6-15)22-19(24)9-10-20(22)25/h3-11,24-25H,12H2,1-2H3
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0.00300n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166868
PNG
(CHEMBL3797635)
Show SMILES O=C(Oc1cccc(c1)C#N)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:25|
Show InChI InChI=1S/C25H21NO7/c27-20(16-7-10-21-22(13-16)32-12-11-31-21)14-33-25(30)15-5-8-17(9-6-15)26-23(28)18-3-1-2-4-19(18)24(26)29/h1-2,5-10,13,28-29H,3-4,11-12,14H2
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0.00300n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166871
PNG
(CHEMBL3797841)
Show SMILES Clc1ccccc1OC(=O)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:24|
Show InChI InChI=1S/C26H23NO5/c28-23(19-9-8-16-4-3-5-18(16)14-19)15-32-26(31)17-10-12-20(13-11-17)27-24(29)21-6-1-2-7-22(21)25(27)30/h1-2,8-14,29-30H,3-7,15H2
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0.00500n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166866
PNG
(CHEMBL3798156)
Show SMILES O=C(Oc1ccccc1)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:23|
Show InChI InChI=1S/C22H21NO5/c1-14-6-7-17(12-15(14)2)19(24)13-28-22(27)16-8-10-18(11-9-16)23-20(25)4-3-5-21(23)26/h6-12H,3-5,13H2,1-2H3
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0.00600n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166869
PNG
(CHEMBL3799744)
Show SMILES Clc1ccc(OC(=O)N2CCC(CC2)c2nc(cs2)C2=NOC(C2)c2ccccc2)cc1 |t:21|
Show InChI InChI=1S/C25H23NO7/c1-31-21-12-9-16(13-22(21)32-2)20(27)14-33-25(30)15-7-10-17(11-8-15)26-23(28)18-5-3-4-6-19(18)24(26)29/h3-4,7-13,28-29H,5-6,14H2,1-2H3
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0.00700n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166866
PNG
(CHEMBL3798156)
Show SMILES O=C(Oc1ccccc1)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:23|
Show InChI InChI=1S/C22H21NO5/c1-14-6-7-17(12-15(14)2)19(24)13-28-22(27)16-8-10-18(11-9-16)23-20(25)4-3-5-21(23)26/h6-12H,3-5,13H2,1-2H3
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0.00700n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 assessed as enzyme ina...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166890
PNG
(CHEMBL3797809)
Show SMILES O=C(Oc1ccc(cc1)C#N)N1CCN(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:25|
Show InChI InChI=1S/C24H21N5O3S/c25-15-17-6-8-19(9-7-17)31-24(30)29-12-10-28(11-13-29)23-26-21(16-33-23)20-14-22(32-27-20)18-4-2-1-3-5-18/h1-9,16,22H,10-14H2
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0.00800n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166867
PNG
(CHEMBL3798476)
Show SMILES O=C(Oc1ccc(cc1)C#N)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:25|
Show InChI InChI=1S/C26H25NO5/c1-15-4-11-21-22(12-15)25(30)27(24(21)29)20-9-7-18(8-10-20)26(31)32-14-23(28)19-6-5-16(2)17(3)13-19/h4-10,13,29-30H,11-12,14H2,1-3H3
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0.0130n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 assessed as enzyme ina...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166867
PNG
(CHEMBL3798476)
Show SMILES O=C(Oc1ccc(cc1)C#N)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:25|
Show InChI InChI=1S/C26H25NO5/c1-15-4-11-21-22(12-15)25(30)27(24(21)29)20-9-7-18(8-10-20)26(31)32-14-23(28)19-6-5-16(2)17(3)13-19/h4-10,13,29-30H,11-12,14H2,1-3H3
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0.0130n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166910
PNG
(CHEMBL3798355)
Show SMILES FC(F)(F)c1ccc(OC(=O)N2CCN(CC2)c2nc(cs2)C2=NOC(C2)c2ccccc2)cc1 |t:24|
Show InChI InChI=1S/C24H21F3N4O3S/c25-24(26,27)17-6-8-18(9-7-17)33-23(32)31-12-10-30(11-13-31)22-28-20(15-35-22)19-14-21(34-29-19)16-4-2-1-3-5-16/h1-9,15,21H,10-14H2
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0.0150n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166911
PNG
(CHEMBL3799516)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(CC2)c2nc(cs2)C2=NOC(C2)c2ccccc2)cc1 |t:23|
Show InChI InChI=1S/C23H21N5O5S/c29-23(32-18-8-6-17(7-9-18)28(30)31)27-12-10-26(11-13-27)22-24-20(15-34-22)19-14-21(33-25-19)16-4-2-1-3-5-16/h1-9,15,21H,10-14H2
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0.0190n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166878
PNG
(CHEMBL3800599)
Show SMILES Cc1ccc(OC(=O)N2CCC(CC2)c2nc(cs2)C2=NOC(C2)c2ccccc2)cc1 |t:21|
Show InChI InChI=1S/C27H26N2O6/c30-24(18-5-9-20(10-6-18)28-13-15-34-16-14-28)17-35-27(33)19-7-11-21(12-8-19)29-25(31)22-3-1-2-4-23(22)26(29)32/h1-2,5-12,31-32H,3-4,13-17H2
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0.0190n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166891
PNG
(CHEMBL3799008)
Show SMILES O=C(Oc1cccc(c1)C#N)N1CCN(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:25|
Show InChI InChI=1S/C24H21N5O3S/c25-15-17-5-4-8-19(13-17)31-24(30)29-11-9-28(10-12-29)23-26-21(16-33-23)20-14-22(32-27-20)18-6-2-1-3-7-18/h1-8,13,16,22H,9-12,14H2
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0.0190n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166870
PNG
(CHEMBL3797226)
Show SMILES FC(F)(F)c1ccc(OC(=O)N2CCC(CC2)c2nc(cs2)C2=NOC(C2)c2ccccc2)cc1 |t:24|
Show InChI InChI=1S/C29H29NO5/c31-26(21-12-10-20(11-13-21)19-6-2-1-3-7-19)18-35-29(34)22-14-16-23(17-15-22)30-27(32)24-8-4-5-9-25(24)28(30)33/h4-5,10-17,19,32-33H,1-3,6-9,18H2
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0.0340n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166875
PNG
(CHEMBL3797377)
Show SMILES Clc1cccc(OC(=O)N2CCC(CC2)c2nc(cs2)C2=NOC(C2)c2ccccc2)c1 |t:22|
Show InChI InChI=1S/C27H21NO5/c29-24(20-10-9-17-5-1-2-6-19(17)15-20)16-33-27(32)18-11-13-21(14-12-18)28-25(30)22-7-3-4-8-23(22)26(28)31/h1-6,9-15,30-31H,7-8,16H2
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0.0380n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166877
PNG
(CHEMBL3798594)
Show SMILES Cc1cccc(OC(=O)N2CCC(CC2)c2nc(cs2)C2=NOC(C2)c2ccccc2)c1 |t:22|
Show InChI InChI=1S/C23H23NO5/c1-14-10-21(26)24(22(27)11-14)19-8-6-17(7-9-19)23(28)29-13-20(25)18-5-4-15(2)16(3)12-18/h4-9,12,14H,10-11,13H2,1-3H3
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0.0560n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 assessed as enzyme ina...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166877
PNG
(CHEMBL3798594)
Show SMILES Cc1cccc(OC(=O)N2CCC(CC2)c2nc(cs2)C2=NOC(C2)c2ccccc2)c1 |t:22|
Show InChI InChI=1S/C23H23NO5/c1-14-10-21(26)24(22(27)11-14)19-8-6-17(7-9-19)23(28)29-13-20(25)18-5-4-15(2)16(3)12-18/h4-9,12,14H,10-11,13H2,1-3H3
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0.0560n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113783
PNG
((2R,4aS,10aR)-4a-benzyl-2-(chloroethynyl)-1,2,3,4,...)
Show SMILES Oc1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C#CCl)c1
Show InChI InChI=1S/C23H23ClO2/c24-13-12-22(26)10-11-23(15-17-4-2-1-3-5-17)19(16-22)7-6-18-14-20(25)8-9-21(18)23/h1-5,8-9,14,19,25-26H,6-7,10-11,15-16H2/t19-,22+,23+/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]DEX from human glucocorticoid receptor


J Med Chem 53: 3065-74 (2010)


Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113782
PNG
((10R,13S,17S)-17-hydroxy-13-methyl-10-(4-methylben...)
Show SMILES CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@]12C |c:29,t:11|
Show InChI InChI=1S/C29H34O2/c1-4-14-29(31)17-13-25-24-10-9-22-18-23(30)11-16-28(22,26(24)12-15-27(25,29)3)19-21-7-5-20(2)6-8-21/h5-8,12,18,24-25,31H,9-11,13,15-17,19H2,1-3H3/t24?,25?,27-,28+,29-/m0/s1
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PubMed
0.100n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]DEX from human glucocorticoid receptor


J Med Chem 53: 3065-74 (2010)


Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166889
PNG
(CHEMBL3799633)
Show SMILES O=C(Oc1ccccc1)N1CCN(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:23|
Show InChI InChI=1S/C23H22N4O3S/c28-23(29-18-9-5-2-6-10-18)27-13-11-26(12-14-27)22-24-20(16-31-22)19-15-21(30-25-19)17-7-3-1-4-8-17/h1-10,16,21H,11-15H2
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0.147n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113780
PNG
((2R,4aS,10aR)-4a-benzyl-2-(prop-1-ynyl)-1,2,3,4,4a...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C24H26O2/c1-2-12-23(26)13-14-24(16-18-6-4-3-5-7-18)20(17-23)9-8-19-15-21(25)10-11-22(19)24/h3-7,10-11,15,20,25-26H,8-9,13-14,16-17H2,1H3/t20-,23-,24+/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]DEX from human glucocorticoid receptor


J Med Chem 53: 3065-74 (2010)


Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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0.240n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]DEX from human glucocorticoid receptor


J Med Chem 53: 3065-74 (2010)


Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166887
PNG
(CHEMBL3799163)
Show SMILES O=C(Nc1cnccn1)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:23|
Show InChI InChI=1S/C22H22N6O2S/c29-22(26-20-13-23-8-9-24-20)28-10-6-16(7-11-28)21-25-18(14-31-21)17-12-19(30-27-17)15-4-2-1-3-5-15/h1-5,8-9,13-14,16,19H,6-7,10-12H2,(H,24,26,29)
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0.924n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]DEX from human glucocorticoid receptor


J Med Chem 53: 3065-74 (2010)


Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50315763
PNG
((4bS,7R,8aR)-4b-benzyl-7-hydroxy-7-(prop-1-ynyl)-N...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(ccc23)C(=O)NCc2ccncc2)C1 |r|
Show InChI InChI=1S/C31H32N2O2/c1-2-14-30(35)15-16-31(20-23-6-4-3-5-7-23)27(21-30)10-8-25-19-26(9-11-28(25)31)29(34)33-22-24-12-17-32-18-13-24/h3-7,9,11-13,17-19,27,35H,8,10,15-16,20-22H2,1H3,(H,33,34)/t27-,30-,31+/m1/s1
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2n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]DEX from human glucocorticoid receptor


J Med Chem 53: 3065-74 (2010)


Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166888
PNG
(CHEMBL3800500)
Show SMILES O=C(Nc1cccnn1)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:23|
Show InChI InChI=1S/C22H22N6O2S/c29-22(25-20-7-4-10-23-26-20)28-11-8-16(9-12-28)21-24-18(14-31-21)17-13-19(30-27-17)15-5-2-1-3-6-15/h1-7,10,14,16,19H,8-9,11-13H2,(H,25,26,29)
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2.36n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19190
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23|
Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]DEX from human glucocorticoid receptor


J Med Chem 53: 3065-74 (2010)


Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166879
PNG
(CHEMBL3799076)
Show SMILES O=C(Oc1ccccc1)N1CCC(CC1)c1nc(cs1)C1=NOC2(C1)CCCc1ccccc21 |t:23|
Show InChI InChI=1S/C24H20N2O7/c1-14-6-7-16(12-20(14)26(31)32)21(27)13-33-24(30)15-8-10-17(11-9-15)25-22(28)18-4-2-3-5-19(18)23(25)29/h2-3,6-12,28-29H,4-5,13H2,1H3
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2.74n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124614
PNG
(5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-...)
Show SMILES COC(=O)c1ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c2c1OC |t:22|
Show InChI InChI=1S/C25H27NO4/c1-7-8-18-21-15(9-11-17-20(21)14(2)13-25(3,4)26-17)22-19(30-18)12-10-16(23(22)28-5)24(27)29-6/h7,9-13,18,26H,1,8H2,2-6H3
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2.80n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]DEX from human glucocorticoid receptor


J Med Chem 53: 3065-74 (2010)


Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166874
PNG
(CHEMBL3798265)
Show SMILES Cc1ccc(C)c(OC(=O)N2CCC(CC2)c2nc(cs2)C2=NOC(C2)c2ccccc2)c1 |t:23|
Show InChI InChI=1S/C25H23Br2NO5/c1-13-3-4-16(9-14(13)2)22(29)12-33-25(32)15-5-7-17(8-6-15)28-23(30)18-10-20(26)21(27)11-19(18)24(28)31/h3-9,20-21,30-31H,10-12H2,1-2H3
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3.30n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166872
PNG
(CHEMBL3800617)
Show SMILES Cc1cc(C)cc(OC(=O)N2CCC(CC2)c2nc(cs2)C2=NOC(C2)c2ccccc2)c1 |t:23|
Show InChI InChI=1S/C23H21NO5/c1-13-5-6-18(11-14(13)2)20(25)12-29-23(28)17-7-9-19(10-8-17)24-21(26)15(3)16(4)22(24)27/h5-11H,12H2,1-4H3
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3.96n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50315767
PNG
((S)-5-allyl-9-(ethynyloxy)-10-methoxy-2,2,4-trimet...)
Show SMILES COc1c(OC#C)ccc2O[C@@H](CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |r,t:24|
Show InChI InChI=1S/C25H25NO3/c1-7-9-18-22-16(10-11-17-21(22)15(3)14-25(4,5)26-17)23-19(29-18)12-13-20(28-8-2)24(23)27-6/h2,7,10-14,18,26H,1,9H2,3-6H3/t18-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]DEX from human glucocorticoid receptor


J Med Chem 53: 3065-74 (2010)


Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113777
PNG
((4aS,10aR)-4a-benzyl-7-hydroxy-3,4,4a,9,10,10a-hex...)
Show SMILES Oc1ccc2c(CC[C@@H]3CC(=O)CC[C@@]23Cc2ccccc2)c1
Show InChI InChI=1S/C21H22O2/c22-18-8-9-20-16(12-18)6-7-17-13-19(23)10-11-21(17,20)14-15-4-2-1-3-5-15/h1-5,8-9,12,17,22H,6-7,10-11,13-14H2/t17-,21+/m1/s1
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6n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]DEX from human glucocorticoid receptor


J Med Chem 53: 3065-74 (2010)


Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C


(Rattus norvegicus (Rat))
BDBM50015743
PNG
(Acetic acid 3-[1-(3,6-dihydro-2H-pyridin-1-yl)-cyc...)
Show SMILES CC(=O)Oc1cccc(c1)C1(CCCCC1)N1CCC=CC1 |c:21|
Show InChI InChI=1S/C19H25NO2/c1-16(21)22-18-10-8-9-17(15-18)19(11-4-2-5-12-19)20-13-6-3-7-14-20/h3,6,8-10,15H,2,4-5,7,11-14H2,1H3
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6n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Ability to displace [3H]- TCP from PCP receptor in tissue homogenate preparation of fresh whole rat brain minus cerebellum.


J Med Chem 33: 2211-5 (1990)


BindingDB Entry DOI: 10.7270/Q2BZ6515
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50315765
PNG
((S)-5-allyl-10-ethynyl-2,2,4-trimethyl-2,5-dihydro...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c([C@H](CC=C)Oc4cccc(C#C)c-34)c12 |r,t:1|
Show InChI InChI=1S/C24H23NO/c1-6-9-19-23-17(22-16(7-2)10-8-11-20(22)26-19)12-13-18-21(23)15(3)14-24(4,5)25-18/h2,6,8,10-14,19,25H,1,9H2,3-5H3/t19-/m0/s1
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6.90n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]DEX from human glucocorticoid receptor


J Med Chem 53: 3065-74 (2010)


Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C


(Rattus norvegicus (Rat))
BDBM50015738
PNG
(3-[1-(3,6-Dihydro-2H-pyridin-1-yl)-cyclohexyl]-phe...)
Show SMILES Oc1cccc(c1)C1(CCCCC1)N1CCC=CC1 |c:18|
Show InChI InChI=1S/C17H23NO/c19-16-9-7-8-15(14-16)17(10-3-1-4-11-17)18-12-5-2-6-13-18/h2,5,7-9,14,19H,1,3-4,6,10-13H2
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7n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Ability to displace [3H]-TCP from PCP receptor in tissue homogenate preparation of fresh whole rat brain minus cerebellum.


J Med Chem 33: 2211-5 (1990)


BindingDB Entry DOI: 10.7270/Q2BZ6515
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C


(Rattus norvegicus (Rat))
BDBM50015734
PNG
(1-(1-Thiophen-2-yl-cyclohexyl)-1,2,3,6-tetrahydro-...)
Show SMILES C1CCC(CC1)(N1CCC=CC1)c1cccs1 |c:10|
Show InChI InChI=1S/C15H21NS/c1-3-9-15(10-4-1,14-8-7-13-17-14)16-11-5-2-6-12-16/h2,5,7-8,13H,1,3-4,6,9-12H2
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12n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Ability to displace [3H]-TCP from PCP receptor in tissue homogenate preparation of fresh whole rat brain minus cerebellum.


J Med Chem 33: 2211-5 (1990)


BindingDB Entry DOI: 10.7270/Q2BZ6515
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166884
PNG
(CHEMBL3800583)
Show SMILES O=C(Nc1ccccc1)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:23|
Show InChI InChI=1S/C27H25NO5/c29-24(20-10-9-17-5-1-2-6-19(17)15-20)16-33-27(32)18-11-13-21(14-12-18)28-25(30)22-7-3-4-8-23(22)26(28)31/h3-4,9-15,30-31H,1-2,5-8,16H2
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17.9n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166884
PNG
(CHEMBL3800583)
Show SMILES O=C(Nc1ccccc1)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:23|
Show InChI InChI=1S/C27H25NO5/c29-24(20-10-9-17-5-1-2-6-19(17)15-20)16-33-27(32)18-11-13-21(14-12-18)28-25(30)22-7-3-4-8-23(22)26(28)31/h3-4,9-15,30-31H,1-2,5-8,16H2
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18n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 assessed as enzyme ina...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50315766
PNG
((S)-9-methoxy-2,2,4-trimethyl-5-phenyl-2,5-dihydro...)
Show SMILES COc1ccc2O[C@@H](c3ccccc3)c3c(ccc4NC(C)(C)C=C(C)c34)-c2c1 |r,t:24|
Show InChI InChI=1S/C26H25NO2/c1-16-15-26(2,3)27-21-12-11-19-20-14-18(28-4)10-13-22(20)29-25(24(19)23(16)21)17-8-6-5-7-9-17/h5-15,25,27H,1-4H3/t25-/m0/s1
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18n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]DEX from human glucocorticoid receptor


J Med Chem 53: 3065-74 (2010)


Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166883
PNG
(CHEMBL3800131)
Show SMILES O=C(Nc1nccs1)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:22|
Show InChI InChI=1S/C24H20N2O8/c1-33-21-11-8-15(12-19(21)26(31)32)20(27)13-34-24(30)14-6-9-16(10-7-14)25-22(28)17-4-2-3-5-18(17)23(25)29/h2-3,6-12,28-29H,4-5,13H2,1H3
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20.9n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166883
PNG
(CHEMBL3800131)
Show SMILES O=C(Nc1nccs1)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:22|
Show InChI InChI=1S/C24H20N2O8/c1-33-21-11-8-15(12-19(21)26(31)32)20(27)13-34-24(30)14-6-9-16(10-7-14)25-22(28)17-4-2-3-5-18(17)23(25)29/h2-3,6-12,28-29H,4-5,13H2,1H3
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21n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 assessed as enzyme ina...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM13775
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:23|
Show InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
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30n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]DEX from human glucocorticoid receptor


J Med Chem 53: 3065-74 (2010)


Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 2C


(Rattus norvegicus (Rat))
BDBM50015741
PNG
(1-[1-(3-Methoxy-phenyl)-cyclohexyl]-1,2,3,6-tetrah...)
Show SMILES COc1cccc(c1)C1(CCCCC1)N1CCC=CC1 |c:19|
Show InChI InChI=1S/C18H25NO/c1-20-17-10-8-9-16(15-17)18(11-4-2-5-12-18)19-13-6-3-7-14-19/h3,6,8-10,15H,2,4-5,7,11-14H2,1H3
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33n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Ability to displace [3H]-TCP from PCP receptor in tissue homogenate preparation of fresh whole rat brain minus cerebellum.


J Med Chem 33: 2211-5 (1990)


BindingDB Entry DOI: 10.7270/Q2BZ6515
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166885
PNG
(CHEMBL3797652)
Show SMILES CCOC(=O)CNC(=O)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:22|
Show InChI InChI=1S/C22H26N4O4S/c1-2-29-20(27)13-23-22(28)26-10-8-16(9-11-26)21-24-18(14-31-21)17-12-19(30-25-17)15-6-4-3-5-7-15/h3-7,14,16,19H,2,8-13H2,1H3,(H,23,28)
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36n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 assessed as enzyme ina...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166885
PNG
(CHEMBL3797652)
Show SMILES CCOC(=O)CNC(=O)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:22|
Show InChI InChI=1S/C22H26N4O4S/c1-2-29-20(27)13-23-22(28)26-10-8-16(9-11-26)21-24-18(14-31-21)17-12-19(30-25-17)15-6-4-3-5-7-15/h3-7,14,16,19H,2,8-13H2,1H3,(H,23,28)
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36n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C


(Rattus norvegicus (Rat))
BDBM50015732
PNG
(1-(1-Phenyl-cyclohexyl)-1,2,3,6-tetrahydro-pyridin...)
Show SMILES C1CCC(CC1)(N1CCC=CC1)c1ccccc1 |c:10|
Show InChI InChI=1S/C17H23N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,3-5,8,10-11H,2,6-7,9,12-15H2
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37n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Ability to displace [3H]- TCP from PCP receptor in tissue homogenate preparation of fresh whole rat brain minus cerebellum.


J Med Chem 33: 2211-5 (1990)


BindingDB Entry DOI: 10.7270/Q2BZ6515
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50315764
PNG
((S)-5-allyl-9-cyanato-10-methoxy-2,2,4-trimethyl-2...)
Show SMILES COc1c(OC#N)ccc2O[C@@H](CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |r,t:24|
Show InChI InChI=1S/C24H24N2O3/c1-6-7-17-21-15(8-9-16-20(21)14(2)12-24(3,4)26-16)22-18(29-17)10-11-19(28-13-25)23(22)27-5/h6,8-12,17,26H,1,7H2,2-5H3/t17-/m0/s1
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51n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]DEX from human glucocorticoid receptor


J Med Chem 53: 3065-74 (2010)


Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C


(Rattus norvegicus (Rat))
BDBM50015733
PNG
(3-[1-(3,6-Dihydro-2H-pyridin-1-yl)-cyclohexyl]-ben...)
Show SMILES O=NCc1cccc(c1)C1(CCCCC1)N1CCC=CC1 |c:20|
Show InChI InChI=1S/C18H24N2O/c21-19-15-16-8-7-9-17(14-16)18(10-3-1-4-11-18)20-12-5-2-6-13-20/h2,5,7-9,14H,1,3-4,6,10-13,15H2
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56n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Ability to displace [3H]-TCP from PCP receptor in tissue homogenate preparation of fresh whole rat brain minus cerebellum.


J Med Chem 33: 2211-5 (1990)


BindingDB Entry DOI: 10.7270/Q2BZ6515
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50166882
PNG
(CHEMBL3798464)
Show SMILES Cc1ccccc1NC(=O)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:24|
Show InChI InChI=1S/C26H27NO5/c1-15-4-11-21-22(12-15)25(30)27(24(21)29)20-9-7-18(8-10-20)26(31)32-14-23(28)19-6-5-16(2)17(3)13-19/h5-10,13,15,29-30H,4,11-12,14H2,1-3H3
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56.6n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...


Bioorg Med Chem Lett 26: 2965-2973 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.061
BindingDB Entry DOI: 10.7270/Q2M32XNP
More data for this
Ligand-Target Pair
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