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Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50044306   
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 [30-579]


(Rattus norvegicus (rat))
BDBM50342065
PNG
((S)-(6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl)(...)
Show SMILES O=C([C@H]1CCc2cc(Oc3ccccc3)ccc2C1)c1ncc(o1)-c1ccccn1 |r|
Show InChI InChI=1S/C25H20N2O3/c28-24(25-27-16-23(30-25)22-8-4-5-13-26-22)19-10-9-18-15-21(12-11-17(18)14-19)29-20-6-2-1-3-7-20/h1-8,11-13,15-16,19H,9-10,14H2/t19-/m0/s1
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4.40n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli using [14C]oleamide as substrate assessed as oleic acid formation by Dixon plot anal...


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(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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4.70n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli using [14C]oleamide as substrate assessed as oleic acid formation by Dixon plot anal...


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))
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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4.70n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse FAAH


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50012163
PNG
(CHEMBL3264467)
Show SMILES O=C([C@@H]1COc2cc(ccc2C1)-c1ccccc1)c1ncc(o1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H18N2O3/c27-23(24-26-14-22(29-24)20-8-4-5-11-25-20)19-12-18-10-9-17(13-21(18)28-15-19)16-6-2-1-3-7-16/h1-11,13-14,19H,12,15H2/t19-/m0/s1
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11n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli using [14C]oleamide as substrate assessed as oleic acid formation by Dixon plot anal...


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50012165
PNG
(CHEMBL3264469)
Show SMILES O=C([C@@H]1COc2cc(OCc3ccccc3)ccc2C1)c1ncco1 |r|
Show InChI InChI=1S/C20H17NO4/c22-19(20-21-8-9-23-20)16-10-15-6-7-17(11-18(15)25-13-16)24-12-14-4-2-1-3-5-14/h1-9,11,16H,10,12-13H2/t16-/m0/s1
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16n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli using [14C]oleamide as substrate assessed as oleic acid formation by Dixon plot anal...


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50012167
PNG
(CHEMBL3264471)
Show SMILES O=C([C@@H]1COc2cc(OCc3ccccc3)ccc2C1)c1ncc(o1)-c1ccccn1 |r|
Show InChI InChI=1S/C25H20N2O4/c28-24(25-27-14-23(31-25)21-8-4-5-11-26-21)19-12-18-9-10-20(13-22(18)30-16-19)29-15-17-6-2-1-3-7-17/h1-11,13-14,19H,12,15-16H2/t19-/m0/s1
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17n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli using [14C]oleamide as substrate assessed as oleic acid formation by Dixon plot anal...


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50012156
PNG
(CHEMBL3264460)
Show SMILES O=C(C1CCc2cc(Oc3ccccc3)ccc2O1)c1ncco1
Show InChI InChI=1S/C19H15NO4/c21-18(19-20-10-11-22-19)17-8-6-13-12-15(7-9-16(13)24-17)23-14-4-2-1-3-5-14/h1-5,7,9-12,17H,6,8H2
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17n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli using [14C]oleamide as substrate assessed as oleic acid formation by Dixon plot anal...


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50012156
PNG
(CHEMBL3264460)
Show SMILES O=C(C1CCc2cc(Oc3ccccc3)ccc2O1)c1ncco1
Show InChI InChI=1S/C19H15NO4/c21-18(19-20-10-11-22-19)17-8-6-13-12-15(7-9-16(13)24-17)23-14-4-2-1-3-5-14/h1-5,7,9-12,17H,6,8H2
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17n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli using [14C]oleamide as substrate assessed as oleic acid formation by Dixon plot anal...


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50012176
PNG
(CHEMBL3264479)
Show SMILES O=C(C1COc2cc(OCc3ccccc3)ccc2C1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C25H20N2O4/c28-24(25-27-14-23(31-25)21-8-4-5-11-26-21)19-12-18-9-10-20(13-22(18)30-16-19)29-15-17-6-2-1-3-7-17/h1-11,13-14,19H,12,15-16H2
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17n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli using [14C]oleamide as substrate assessed as oleic acid formation by Dixon plot anal...


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50012169
PNG
(CHEMBL3264473)
Show SMILES O=C([C@H]1COc2cc(Oc3ccccc3)ccc2C1)c1ncc(o1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-14-22(30-24)20-8-4-5-11-25-20)17-12-16-9-10-19(13-21(16)28-15-17)29-18-6-2-1-3-7-18/h1-11,13-14,17H,12,15H2/t17-/m1/s1
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18n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli using [14C]oleamide as substrate assessed as oleic acid formation by Dixon plot anal...


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50012166
PNG
(CHEMBL3264470)
Show SMILES O=C([C@H]1COc2cc(OCc3ccccc3)ccc2C1)c1ncc(o1)-c1ccccn1 |r|
Show InChI InChI=1S/C25H20N2O4/c28-24(25-27-14-23(31-25)21-8-4-5-11-26-21)19-12-18-9-10-20(13-22(18)30-16-19)29-15-17-6-2-1-3-7-17/h1-11,13-14,19H,12,15-16H2/t19-/m1/s1
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18n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli using [14C]oleamide as substrate assessed as oleic acid formation by Dixon plot anal...


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50012160
PNG
(CHEMBL3264464)
Show SMILES O=C([C@H]1COc2cc(ccc2C1)-c1ccccc1)c1ncco1 |r|
Show InChI InChI=1S/C19H15NO3/c21-18(19-20-8-9-22-19)16-10-15-7-6-14(11-17(15)23-12-16)13-4-2-1-3-5-13/h1-9,11,16H,10,12H2/t16-/m1/s1
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20n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli using [14C]oleamide as substrate assessed as oleic acid formation by Dixon plot anal...


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50012164
PNG
(CHEMBL3264468)
Show SMILES O=C([C@H]1COc2cc(OCc3ccccc3)ccc2C1)c1ncco1 |r|
Show InChI InChI=1S/C20H17NO4/c22-19(20-21-8-9-23-20)16-10-15-6-7-17(11-18(15)25-13-16)24-12-14-4-2-1-3-5-14/h1-9,11,16H,10,12-13H2/t16-/m1/s1
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20n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli using [14C]oleamide as substrate assessed as oleic acid formation by Dixon plot anal...


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50012174
PNG
(CHEMBL3264477)
Show SMILES Ic1cnc(o1)C(=O)[C@H]1COc2cc(Oc3ccccc3)ccc2C1 |r|
Show InChI InChI=1S/C19H14INO4/c20-17-10-21-19(25-17)18(22)13-8-12-6-7-15(9-16(12)23-11-13)24-14-4-2-1-3-5-14/h1-7,9-10,13H,8,11H2/t13-/m1/s1
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20n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli using [14C]oleamide as substrate assessed as oleic acid formation by Dixon plot anal...


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50012162
PNG
(CHEMBL3264466)
Show SMILES O=C([C@H]1COc2cc(ccc2C1)-c1ccccc1)c1ncc(o1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H18N2O3/c27-23(24-26-14-22(29-24)20-8-4-5-11-25-20)19-12-18-10-9-17(13-21(18)28-15-19)16-6-2-1-3-7-16/h1-11,13-14,19H,12,15H2/t19-/m1/s1
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23n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli using [14C]oleamide as substrate assessed as oleic acid formation by Dixon plot anal...


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50012171
PNG
(CHEMBL3264474)
Show SMILES O=C([C@@H]1COc2cc(Oc3ccccc3)ccc2C1)c1ncc(o1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-14-22(30-24)20-8-4-5-11-25-20)17-12-16-9-10-19(13-21(16)28-15-17)29-18-6-2-1-3-7-18/h1-11,13-14,17H,12,15H2/t17-/m0/s1
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27n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli using [14C]oleamide as substrate assessed as oleic acid formation by Dixon plot anal...


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50012175
PNG
(CHEMBL3264478)
Show SMILES Ic1cnc(o1)C(=O)[C@@H]1COc2cc(Oc3ccccc3)ccc2C1 |r|
Show InChI InChI=1S/C19H14INO4/c20-17-10-21-19(25-17)18(22)13-8-12-6-7-15(9-16(12)23-11-13)24-14-4-2-1-3-5-14/h1-7,9-10,13H,8,11H2/t13-/m0/s1
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31n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli using [14C]oleamide as substrate assessed as oleic acid formation by Dixon plot anal...


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50012161
PNG
(CHEMBL3264465)
Show SMILES O=C([C@@H]1COc2cc(ccc2C1)-c1ccccc1)c1ncco1 |r|
Show InChI InChI=1S/C19H15NO3/c21-18(19-20-8-9-22-19)16-10-15-7-6-14(11-17(15)23-12-16)13-4-2-1-3-5-13/h1-9,11,16H,10,12H2/t16-/m0/s1
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32n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli using [14C]oleamide as substrate assessed as oleic acid formation by Dixon plot anal...


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50012168
PNG
(CHEMBL3264472)
Show SMILES O=C(C1COc2cc(Oc3ccccc3)ccc2C1)c1ncco1
Show InChI InChI=1S/C19H15NO4/c21-18(19-20-8-9-22-19)14-10-13-6-7-16(11-17(13)23-12-14)24-15-4-2-1-3-5-15/h1-9,11,14H,10,12H2
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33n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli using [14C]oleamide as substrate assessed as oleic acid formation by Dixon plot anal...


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50012157
PNG
(CHEMBL3264462)
Show SMILES O=C(C1CCc2cc(Oc3ccccc3)ccc2O1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-15-22(30-24)19-8-4-5-13-25-19)21-11-9-16-14-18(10-12-20(16)29-21)28-17-6-2-1-3-7-17/h1-8,10,12-15,21H,9,11H2
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36n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli using [14C]oleamide as substrate assessed as oleic acid formation by Dixon plot anal...


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50012157
PNG
(CHEMBL3264462)
Show SMILES O=C(C1CCc2cc(Oc3ccccc3)ccc2O1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-15-22(30-24)19-8-4-5-13-25-19)21-11-9-16-14-18(10-12-20(16)29-21)28-17-6-2-1-3-7-17/h1-8,10,12-15,21H,9,11H2
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36n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli using [14C]oleamide as substrate assessed as oleic acid formation by Dixon plot anal...


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50012172
PNG
(CHEMBL3264475)
Show SMILES COC(=O)c1cccc(n1)-c1cnc(o1)C(=O)[C@H]1COc2cc(Oc3ccccc3)ccc2C1 |r|
Show InChI InChI=1S/C26H20N2O6/c1-31-26(30)21-9-5-8-20(28-21)23-14-27-25(34-23)24(29)17-12-16-10-11-19(13-22(16)32-15-17)33-18-6-3-2-4-7-18/h2-11,13-14,17H,12,15H2,1H3/t17-/m1/s1
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41n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli using [14C]oleamide as substrate assessed as oleic acid formation by Dixon plot anal...


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50012158
PNG
(CHEMBL3264463)
Show SMILES COC(=O)c1cccc(n1)-c1cnc(o1)C(=O)C1CCc2cc(Oc3ccccc3)ccc2O1
Show InChI InChI=1S/C26H20N2O6/c1-31-26(30)20-9-5-8-19(28-20)23-15-27-25(34-23)24(29)22-12-10-16-14-18(11-13-21(16)33-22)32-17-6-3-2-4-7-17/h2-9,11,13-15,22H,10,12H2,1H3
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94n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli using [14C]oleamide as substrate assessed as oleic acid formation by Dixon plot anal...


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50012158
PNG
(CHEMBL3264463)
Show SMILES COC(=O)c1cccc(n1)-c1cnc(o1)C(=O)C1CCc2cc(Oc3ccccc3)ccc2O1
Show InChI InChI=1S/C26H20N2O6/c1-31-26(30)20-9-5-8-19(28-20)23-15-27-25(34-23)24(29)22-12-10-16-14-18(11-13-21(16)33-22)32-17-6-3-2-4-7-17/h2-9,11,13-15,22H,10,12H2,1H3
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94n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli using [14C]oleamide as substrate assessed as oleic acid formation by Dixon plot anal...


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50100864
PNG
((Z)-1-(oxazol-2-yl)octadec-9-en-1-one | (Z)-1-Oxaz...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1ncco1
Show InChI InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-22-18-19-24-21/h9-10,18-19H,2-8,11-17H2,1H3/b10-9-
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100n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of rat FAAH by Lineweaver-Burk plot analysis


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50012173
PNG
(CHEMBL3264476)
Show SMILES COC(=O)c1cccc(n1)-c1cnc(o1)C(=O)[C@@H]1COc2cc(Oc3ccccc3)ccc2C1 |r|
Show InChI InChI=1S/C26H20N2O6/c1-31-26(30)21-9-5-8-20(28-21)23-14-27-25(34-23)24(29)17-12-16-10-11-19(13-22(16)32-15-17)33-18-6-3-2-4-7-18/h2-11,13-14,17H,12,15H2,1H3/t17-/m0/s1
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333n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli using [14C]oleamide as substrate assessed as oleic acid formation by Dixon plot anal...


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50012159
PNG
(CHEMBL3264461)
Show SMILES CCCCCCC(C)OC(=O)C(Br)C(C)=O
Show InChI InChI=1S/C12H21BrO3/c1-4-5-6-7-8-9(2)16-12(15)11(13)10(3)14/h9,11H,4-8H2,1-3H3
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800n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Reversible inhibition of FAAH (unknown origin)


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))
BDBM50012157
PNG
(CHEMBL3264462)
Show SMILES O=C(C1CCc2cc(Oc3ccccc3)ccc2O1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-15-22(30-24)19-8-4-5-13-25-19)21-11-9-16-14-18(10-12-20(16)29-21)28-17-6-2-1-3-7-17/h1-8,10,12-15,21H,9,11H2
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n/an/a 70n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse brain FAAH incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))
BDBM50012157
PNG
(CHEMBL3264462)
Show SMILES O=C(C1CCc2cc(Oc3ccccc3)ccc2O1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-15-22(30-24)19-8-4-5-13-25-19)21-11-9-16-14-18(10-12-20(16)29-21)28-17-6-2-1-3-7-17/h1-8,10,12-15,21H,9,11H2
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n/an/a 70n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse brain FAAH incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))
BDBM50012169
PNG
(CHEMBL3264473)
Show SMILES O=C([C@H]1COc2cc(Oc3ccccc3)ccc2C1)c1ncc(o1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-14-22(30-24)20-8-4-5-11-25-20)17-12-16-9-10-19(13-21(16)28-15-17)29-18-6-2-1-3-7-18/h1-11,13-14,17H,12,15H2/t17-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse brain FAAH incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))
BDBM50012171
PNG
(CHEMBL3264474)
Show SMILES O=C([C@@H]1COc2cc(Oc3ccccc3)ccc2C1)c1ncc(o1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-14-22(30-24)20-8-4-5-11-25-20)17-12-16-9-10-19(13-21(16)28-15-17)29-18-6-2-1-3-7-18/h1-11,13-14,17H,12,15H2/t17-/m0/s1
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n/an/a 460n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse brain FAAH incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Mus musculus (mouse))
BDBM50012157
PNG
(CHEMBL3264462)
Show SMILES O=C(C1CCc2cc(Oc3ccccc3)ccc2O1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-15-22(30-24)19-8-4-5-13-25-19)21-11-9-16-14-18(10-12-20(16)29-21)28-17-6-2-1-3-7-17/h1-8,10,12-15,21H,9,11H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse brain ABHD6 incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Mus musculus (mouse))
BDBM50012169
PNG
(CHEMBL3264473)
Show SMILES O=C([C@H]1COc2cc(Oc3ccccc3)ccc2C1)c1ncc(o1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-14-22(30-24)20-8-4-5-11-25-20)17-12-16-9-10-19(13-21(16)28-15-17)29-18-6-2-1-3-7-18/h1-11,13-14,17H,12,15H2/t17-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse brain ABHD6 incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Mus musculus (mouse))
BDBM50012157
PNG
(CHEMBL3264462)
Show SMILES O=C(C1CCc2cc(Oc3ccccc3)ccc2O1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-15-22(30-24)19-8-4-5-13-25-19)21-11-9-16-14-18(10-12-20(16)29-21)28-17-6-2-1-3-7-17/h1-8,10,12-15,21H,9,11H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse brain ABHD6 incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM50012171
PNG
(CHEMBL3264474)
Show SMILES O=C([C@@H]1COc2cc(Oc3ccccc3)ccc2C1)c1ncc(o1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-14-22(30-24)20-8-4-5-11-25-20)17-12-16-9-10-19(13-21(16)28-15-17)29-18-6-2-1-3-7-18/h1-11,13-14,17H,12,15H2/t17-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse brain MAGL incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM50012169
PNG
(CHEMBL3264473)
Show SMILES O=C([C@H]1COc2cc(Oc3ccccc3)ccc2C1)c1ncc(o1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-14-22(30-24)20-8-4-5-11-25-20)17-12-16-9-10-19(13-21(16)28-15-17)29-18-6-2-1-3-7-18/h1-11,13-14,17H,12,15H2/t17-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse brain MAGL incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM50012157
PNG
(CHEMBL3264462)
Show SMILES O=C(C1CCc2cc(Oc3ccccc3)ccc2O1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-15-22(30-24)19-8-4-5-13-25-19)21-11-9-16-14-18(10-12-20(16)29-21)28-17-6-2-1-3-7-17/h1-8,10,12-15,21H,9,11H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse brain MAGL incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM50012157
PNG
(CHEMBL3264462)
Show SMILES O=C(C1CCc2cc(Oc3ccccc3)ccc2O1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-15-22(30-24)19-8-4-5-13-25-19)21-11-9-16-14-18(10-12-20(16)29-21)28-17-6-2-1-3-7-17/h1-8,10,12-15,21H,9,11H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse brain MAGL incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50012171
PNG
(CHEMBL3264474)
Show SMILES O=C([C@@H]1COc2cc(Oc3ccccc3)ccc2C1)c1ncc(o1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-14-22(30-24)20-8-4-5-11-25-20)17-12-16-9-10-19(13-21(16)28-15-17)29-18-6-2-1-3-7-18/h1-11,13-14,17H,12,15H2/t17-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse brain KIAA1363 incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50012169
PNG
(CHEMBL3264473)
Show SMILES O=C([C@H]1COc2cc(Oc3ccccc3)ccc2C1)c1ncc(o1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-14-22(30-24)20-8-4-5-11-25-20)17-12-16-9-10-19(13-21(16)28-15-17)29-18-6-2-1-3-7-18/h1-11,13-14,17H,12,15H2/t17-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse brain KIAA1363 incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Mus musculus (mouse))
BDBM50012171
PNG
(CHEMBL3264474)
Show SMILES O=C([C@@H]1COc2cc(Oc3ccccc3)ccc2C1)c1ncc(o1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-14-22(30-24)20-8-4-5-11-25-20)17-12-16-9-10-19(13-21(16)28-15-17)29-18-6-2-1-3-7-18/h1-11,13-14,17H,12,15H2/t17-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse brain ABHD6 incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50012157
PNG
(CHEMBL3264462)
Show SMILES O=C(C1CCc2cc(Oc3ccccc3)ccc2O1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-15-22(30-24)19-8-4-5-13-25-19)21-11-9-16-14-18(10-12-20(16)29-21)28-17-6-2-1-3-7-17/h1-8,10,12-15,21H,9,11H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse brain KIAA1363 incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50012157
PNG
(CHEMBL3264462)
Show SMILES O=C(C1CCc2cc(Oc3ccccc3)ccc2O1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-15-22(30-24)19-8-4-5-13-25-19)21-11-9-16-14-18(10-12-20(16)29-21)28-17-6-2-1-3-7-17/h1-8,10,12-15,21H,9,11H2
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UniProtKB/SwissProt

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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse brain KIAA1363 incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair