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Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with all data for entry = 8652   
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
Epoxide hydrolase


(Equus caballus (Horse))
BDBM50342208
PNG
(4-{3-[3-(3-Cycloheptyl-ureido)-propyl]-5-phenyl-py...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CCCNC(=O)NC2CCCCCC2)cc1-c1ccccc1
Show InChI InChI=1S/C26H33N5O3S/c27-35(33,34)24-16-14-23(15-17-24)31-25(20-9-4-3-5-10-20)19-22(30-31)13-8-18-28-26(32)29-21-11-6-1-2-7-12-21/h3-5,9-10,14-17,19,21H,1-2,6-8,11-13,18H2,(H2,27,33,34)(H2,28,29,32)
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n/an/a 1n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Ovis aries (Sheep))
BDBM25741
PNG
(4-{[4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amin...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |(13.39,-4.44,;13.39,-2.9,;14.72,-2.13,;12.06,-2.13,;12.06,-.59,;10.72,.18,;9.39,-.59,;7.9,-.2,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-2.92,1.08,;-4.25,1.85,;-4.25,3.4,;-5.58,4.17,;-6.92,3.39,;-8.25,4.16,;-8.25,2.62,;-6.92,1.85,;-2.92,4.17,;-1.58,3.4,;9.39,-2.13,;10.72,-2.9,)|
Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29)
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THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Canis lupus familiaris (Dog) (Canis familiaris))
BDBM25739
PNG
(4-({4-[(adamantan-1-ylcarbamoyl)amino]cyclohexyl}o...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27,(14.72,-2.13,;14.72,-.59,;16.06,.18,;13.39,.18,;13.39,1.72,;12.06,2.49,;10.72,1.72,;9.24,2.11,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-1.14,3.3,;-2.2,4.45,;-3.36,3.57,;-3.92,1.7,;-5.24,1.54,;-4.25,2.53,;-3.76,4.14,;-3.03,1.56,;-2.63,.75,;10.72,.18,;12.06,-.59,)|
Show InChI InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)
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THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Felis catus (Cat) (Felis silvestris catus))
BDBM25741
PNG
(4-{[4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amin...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |(13.39,-4.44,;13.39,-2.9,;14.72,-2.13,;12.06,-2.13,;12.06,-.59,;10.72,.18,;9.39,-.59,;7.9,-.2,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-2.92,1.08,;-4.25,1.85,;-4.25,3.4,;-5.58,4.17,;-6.92,3.39,;-8.25,4.16,;-8.25,2.62,;-6.92,1.85,;-2.92,4.17,;-1.58,3.4,;9.39,-2.13,;10.72,-2.9,)|
Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29)
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THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Equus caballus (Horse))
BDBM410785
PNG
(US10383835, Compound 2225 | trans-N-methyl- 4-[4- ...)
Show SMILES CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |r,wU:9.8,TLB:28:19:26:22.23.24,THB:28:23:26:19.27.20,27:19:22:26.25.24,27:25:22:19.28.20,18:19:26:22.23.24,(10.42,-.77,;9.08,,;7.75,-.77,;7.75,-2.31,;6.42,,;5.08,-.77,;3.75,,;3.75,1.54,;2.41,2.31,;1.08,1.54,;1.08,,;-.25,-.77,;-1.59,,;-1.59,1.54,;-.25,2.31,;-2.92,-.77,;-4.25,,;-4.25,1.54,;-5.59,-.77,;-6.92,,;-8.25,-.77,;-9.58,,;-9.58,1.54,;-8.25,2.31,;-9,1.14,;-9.02,-1.26,;-10.42,-1.9,;-7.82,-1.93,;-6.92,1.54,;5.08,2.31,;6.42,1.54,)|
Show InChI InChI=1S/C25H35N3O3/c1-26-23(29)19-2-6-21(7-3-19)31-22-8-4-20(5-9-22)27-24(30)28-25-13-16-10-17(14-25)12-18(11-16)15-25/h2-3,6-7,16-18,20,22H,4-5,8-15H2,1H3,(H,26,29)(H2,27,28,30)/t16?,17?,18?,20?,22-,25?
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THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Ovis aries (Sheep))
BDBM410785
PNG
(US10383835, Compound 2225 | trans-N-methyl- 4-[4- ...)
Show SMILES CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |r,wU:9.8,TLB:28:19:26:22.23.24,THB:28:23:26:19.27.20,27:19:22:26.25.24,27:25:22:19.28.20,18:19:26:22.23.24,(10.42,-.77,;9.08,,;7.75,-.77,;7.75,-2.31,;6.42,,;5.08,-.77,;3.75,,;3.75,1.54,;2.41,2.31,;1.08,1.54,;1.08,,;-.25,-.77,;-1.59,,;-1.59,1.54,;-.25,2.31,;-2.92,-.77,;-4.25,,;-4.25,1.54,;-5.59,-.77,;-6.92,,;-8.25,-.77,;-9.58,,;-9.58,1.54,;-8.25,2.31,;-9,1.14,;-9.02,-1.26,;-10.42,-1.9,;-7.82,-1.93,;-6.92,1.54,;5.08,2.31,;6.42,1.54,)|
Show InChI InChI=1S/C25H35N3O3/c1-26-23(29)19-2-6-21(7-3-19)31-22-8-4-20(5-9-22)27-24(30)28-25-13-16-10-17(14-25)12-18(11-16)15-25/h2-3,6-7,16-18,20,22H,4-5,8-15H2,1H3,(H,26,29)(H2,27,28,30)/t16?,17?,18?,20?,22-,25?
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THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Felis catus (Cat) (Felis silvestris catus))
BDBM410785
PNG
(US10383835, Compound 2225 | trans-N-methyl- 4-[4- ...)
Show SMILES CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |r,wU:9.8,TLB:28:19:26:22.23.24,THB:28:23:26:19.27.20,27:19:22:26.25.24,27:25:22:19.28.20,18:19:26:22.23.24,(10.42,-.77,;9.08,,;7.75,-.77,;7.75,-2.31,;6.42,,;5.08,-.77,;3.75,,;3.75,1.54,;2.41,2.31,;1.08,1.54,;1.08,,;-.25,-.77,;-1.59,,;-1.59,1.54,;-.25,2.31,;-2.92,-.77,;-4.25,,;-4.25,1.54,;-5.59,-.77,;-6.92,,;-8.25,-.77,;-9.58,,;-9.58,1.54,;-8.25,2.31,;-9,1.14,;-9.02,-1.26,;-10.42,-1.9,;-7.82,-1.93,;-6.92,1.54,;5.08,2.31,;6.42,1.54,)|
Show InChI InChI=1S/C25H35N3O3/c1-26-23(29)19-2-6-21(7-3-19)31-22-8-4-20(5-9-22)27-24(30)28-25-13-16-10-17(14-25)12-18(11-16)15-25/h2-3,6-7,16-18,20,22H,4-5,8-15H2,1H3,(H,26,29)(H2,27,28,30)/t16?,17?,18?,20?,22-,25?
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THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Equus caballus (Horse))
BDBM158487
PNG
(US10383835, Compound 2226 | US9029401, 2253)
Show SMILES CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 |r,wU:9.8,(11.34,-.77,;10,,;8.67,-.77,;8.67,-2.31,;7.34,,;6,-.77,;4.67,,;4.67,1.54,;3.33,2.31,;2,1.54,;2,,;.67,-.77,;-.67,,;-.67,1.54,;.67,2.31,;-2,-.77,;-3.33,,;-3.33,1.54,;-4.67,-.77,;-6,,;-6,1.54,;-7.34,2.31,;-8.67,1.54,;-10,2.31,;-8.67,,;-7.34,-.77,;-10,-.77,;-11.34,,;-10,-2.31,;-11.34,-1.54,;6,2.31,;7.34,1.54,)|
Show InChI InChI=1S/C22H23ClF3N3O3/c1-27-20(30)13-2-7-16(8-3-13)32-17-9-4-14(5-10-17)28-21(31)29-15-6-11-19(23)18(12-15)22(24,25)26/h2-3,6-8,11-12,14,17H,4-5,9-10H2,1H3,(H,27,30)(H2,28,29,31)/t14?,17-
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THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Ovis aries (Sheep))
BDBM158487
PNG
(US10383835, Compound 2226 | US9029401, 2253)
Show SMILES CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 |r,wU:9.8,(11.34,-.77,;10,,;8.67,-.77,;8.67,-2.31,;7.34,,;6,-.77,;4.67,,;4.67,1.54,;3.33,2.31,;2,1.54,;2,,;.67,-.77,;-.67,,;-.67,1.54,;.67,2.31,;-2,-.77,;-3.33,,;-3.33,1.54,;-4.67,-.77,;-6,,;-6,1.54,;-7.34,2.31,;-8.67,1.54,;-10,2.31,;-8.67,,;-7.34,-.77,;-10,-.77,;-11.34,,;-10,-2.31,;-11.34,-1.54,;6,2.31,;7.34,1.54,)|
Show InChI InChI=1S/C22H23ClF3N3O3/c1-27-20(30)13-2-7-16(8-3-13)32-17-9-4-14(5-10-17)28-21(31)29-15-6-11-19(23)18(12-15)22(24,25)26/h2-3,6-8,11-12,14,17H,4-5,9-10H2,1H3,(H,27,30)(H2,28,29,31)/t14?,17-
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THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Equus caballus (Horse))
BDBM158485
PNG
(US10383835, Compound 2228 | US9029401, 2227)
Show SMILES CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:9.8,(10.67,-.77,;9.34,,;8,-.77,;8,-2.31,;6.67,,;5.33,-.77,;4,,;4,1.54,;2.67,2.31,;1.33,1.54,;1.33,,;,-.77,;-1.33,,;-1.33,1.54,;,2.31,;-2.67,-.77,;-4,,;-4,1.54,;-5.33,-.77,;-6.67,,;-6.67,1.54,;-8,2.31,;-9.34,1.54,;-10.67,2.31,;-10.67,3.85,;-10.67,5.39,;-9.34,4.62,;-12,4.62,;-9.34,,;-8,-.77,;5.33,2.31,;6.67,1.54,)|
Show InChI InChI=1S/C22H24F3N3O4/c1-26-20(29)14-2-8-17(9-3-14)31-18-10-4-15(5-11-18)27-21(30)28-16-6-12-19(13-7-16)32-22(23,24)25/h2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H,26,29)(H2,27,28,30)/t15?,18-
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THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Ovis aries (Sheep))
BDBM158485
PNG
(US10383835, Compound 2228 | US9029401, 2227)
Show SMILES CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:9.8,(10.67,-.77,;9.34,,;8,-.77,;8,-2.31,;6.67,,;5.33,-.77,;4,,;4,1.54,;2.67,2.31,;1.33,1.54,;1.33,,;,-.77,;-1.33,,;-1.33,1.54,;,2.31,;-2.67,-.77,;-4,,;-4,1.54,;-5.33,-.77,;-6.67,,;-6.67,1.54,;-8,2.31,;-9.34,1.54,;-10.67,2.31,;-10.67,3.85,;-10.67,5.39,;-9.34,4.62,;-12,4.62,;-9.34,,;-8,-.77,;5.33,2.31,;6.67,1.54,)|
Show InChI InChI=1S/C22H24F3N3O4/c1-26-20(29)14-2-8-17(9-3-14)31-18-10-4-15(5-11-18)27-21(30)28-16-6-12-19(13-7-16)32-22(23,24)25/h2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H,26,29)(H2,27,28,30)/t15?,18-
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THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Felis catus (Cat) (Felis silvestris catus))
BDBM158485
PNG
(US10383835, Compound 2228 | US9029401, 2227)
Show SMILES CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:9.8,(10.67,-.77,;9.34,,;8,-.77,;8,-2.31,;6.67,,;5.33,-.77,;4,,;4,1.54,;2.67,2.31,;1.33,1.54,;1.33,,;,-.77,;-1.33,,;-1.33,1.54,;,2.31,;-2.67,-.77,;-4,,;-4,1.54,;-5.33,-.77,;-6.67,,;-6.67,1.54,;-8,2.31,;-9.34,1.54,;-10.67,2.31,;-10.67,3.85,;-10.67,5.39,;-9.34,4.62,;-12,4.62,;-9.34,,;-8,-.77,;5.33,2.31,;6.67,1.54,)|
Show InChI InChI=1S/C22H24F3N3O4/c1-26-20(29)14-2-8-17(9-3-14)31-18-10-4-15(5-11-18)27-21(30)28-16-6-12-19(13-7-16)32-22(23,24)25/h2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H,26,29)(H2,27,28,30)/t15?,18-
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THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Ovis aries (Sheep))
BDBM50342208
PNG
(4-{3-[3-(3-Cycloheptyl-ureido)-propyl]-5-phenyl-py...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CCCNC(=O)NC2CCCCCC2)cc1-c1ccccc1
Show InChI InChI=1S/C26H33N5O3S/c27-35(33,34)24-16-14-23(15-17-24)31-25(20-9-4-3-5-10-20)19-22(30-31)13-8-18-28-26(32)29-21-11-6-1-2-7-12-21/h3-5,9-10,14-17,19,21H,1-2,6-8,11-13,18H2,(H2,27,33,34)(H2,28,29,32)
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n/an/a 2n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Ovis aries (Sheep))
BDBM25738
PNG
(1-adamantan-1-yl-3-{5-[2-(2-ethoxyethoxy)ethoxy]pe...)
Show SMILES CCOCCOCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27|
Show InChI InChI=1S/C22H40N2O4/c1-2-26-8-9-28-11-10-27-7-5-3-4-6-23-21(25)24-22-15-18-12-19(16-22)14-20(13-18)17-22/h18-20H,2-17H2,1H3,(H2,23,24,25)
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n/an/a 3n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Ovis aries (Sheep))
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27|
Show InChI InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)
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n/an/a 3n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Felis catus (Cat) (Felis silvestris catus))
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27|
Show InChI InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)
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n/an/a 3n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Equus caballus (Horse))
BDBM25741
PNG
(4-{[4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amin...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |(13.39,-4.44,;13.39,-2.9,;14.72,-2.13,;12.06,-2.13,;12.06,-.59,;10.72,.18,;9.39,-.59,;7.9,-.2,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-2.92,1.08,;-4.25,1.85,;-4.25,3.4,;-5.58,4.17,;-6.92,3.39,;-8.25,4.16,;-8.25,2.62,;-6.92,1.85,;-2.92,4.17,;-1.58,3.4,;9.39,-2.13,;10.72,-2.9,)|
Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29)
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n/an/a 3n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Canis lupus familiaris (Dog) (Canis familiaris))
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27|
Show InChI InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)
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n/an/a 3n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Canis lupus familiaris (Dog) (Canis familiaris))
BDBM25741
PNG
(4-{[4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amin...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |(13.39,-4.44,;13.39,-2.9,;14.72,-2.13,;12.06,-2.13,;12.06,-.59,;10.72,.18,;9.39,-.59,;7.9,-.2,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-2.92,1.08,;-4.25,1.85,;-4.25,3.4,;-5.58,4.17,;-6.92,3.39,;-8.25,4.16,;-8.25,2.62,;-6.92,1.85,;-2.92,4.17,;-1.58,3.4,;9.39,-2.13,;10.72,-2.9,)|
Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29)
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n/an/a 4n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Felis catus (Cat) (Felis silvestris catus))
BDBM158487
PNG
(US10383835, Compound 2226 | US9029401, 2253)
Show SMILES CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 |r,wU:9.8,(11.34,-.77,;10,,;8.67,-.77,;8.67,-2.31,;7.34,,;6,-.77,;4.67,,;4.67,1.54,;3.33,2.31,;2,1.54,;2,,;.67,-.77,;-.67,,;-.67,1.54,;.67,2.31,;-2,-.77,;-3.33,,;-3.33,1.54,;-4.67,-.77,;-6,,;-6,1.54,;-7.34,2.31,;-8.67,1.54,;-10,2.31,;-8.67,,;-7.34,-.77,;-10,-.77,;-11.34,,;-10,-2.31,;-11.34,-1.54,;6,2.31,;7.34,1.54,)|
Show InChI InChI=1S/C22H23ClF3N3O3/c1-27-20(30)13-2-7-16(8-3-13)32-17-9-4-14(5-10-17)28-21(31)29-15-6-11-19(23)18(12-15)22(24,25)26/h2-3,6-8,11-12,14,17H,4-5,9-10H2,1H3,(H,27,30)(H2,28,29,31)/t14?,17-
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THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Ovis aries (Sheep))
BDBM25739
PNG
(4-({4-[(adamantan-1-ylcarbamoyl)amino]cyclohexyl}o...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27,(14.72,-2.13,;14.72,-.59,;16.06,.18,;13.39,.18,;13.39,1.72,;12.06,2.49,;10.72,1.72,;9.24,2.11,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-1.14,3.3,;-2.2,4.45,;-3.36,3.57,;-3.92,1.7,;-5.24,1.54,;-4.25,2.53,;-3.76,4.14,;-3.03,1.56,;-2.63,.75,;10.72,.18,;12.06,-.59,)|
Show InChI InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)
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n/an/a 5n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Felis catus (Cat) (Felis silvestris catus))
BDBM25741
PNG
(4-{[4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amin...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |(13.39,-4.44,;13.39,-2.9,;14.72,-2.13,;12.06,-2.13,;12.06,-.59,;10.72,.18,;9.39,-.59,;7.9,-.2,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-2.92,1.08,;-4.25,1.85,;-4.25,3.4,;-5.58,4.17,;-6.92,3.39,;-8.25,4.16,;-8.25,2.62,;-6.92,1.85,;-2.92,4.17,;-1.58,3.4,;9.39,-2.13,;10.72,-2.9,)|
Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29)
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n/an/a 5n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Felis catus (Cat) (Felis silvestris catus))
BDBM25739
PNG
(4-({4-[(adamantan-1-ylcarbamoyl)amino]cyclohexyl}o...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27,(14.72,-2.13,;14.72,-.59,;16.06,.18,;13.39,.18,;13.39,1.72,;12.06,2.49,;10.72,1.72,;9.24,2.11,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-1.14,3.3,;-2.2,4.45,;-3.36,3.57,;-3.92,1.7,;-5.24,1.54,;-4.25,2.53,;-3.76,4.14,;-3.03,1.56,;-2.63,.75,;10.72,.18,;12.06,-.59,)|
Show InChI InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)
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n/an/a 6n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Sus scrofa (Pig))
BDBM25738
PNG
(1-adamantan-1-yl-3-{5-[2-(2-ethoxyethoxy)ethoxy]pe...)
Show SMILES CCOCCOCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27|
Show InChI InChI=1S/C22H40N2O4/c1-2-26-8-9-28-11-10-27-7-5-3-4-6-23-21(25)24-22-15-18-12-19(16-22)14-20(13-18)17-22/h18-20H,2-17H2,1H3,(H2,23,24,25)
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THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Ovis aries (Sheep))
BDBM25741
PNG
(4-{[4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amin...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |(13.39,-4.44,;13.39,-2.9,;14.72,-2.13,;12.06,-2.13,;12.06,-.59,;10.72,.18,;9.39,-.59,;7.9,-.2,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-2.92,1.08,;-4.25,1.85,;-4.25,3.4,;-5.58,4.17,;-6.92,3.39,;-8.25,4.16,;-8.25,2.62,;-6.92,1.85,;-2.92,4.17,;-1.58,3.4,;9.39,-2.13,;10.72,-2.9,)|
Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29)
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n/an/a 6n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Sus scrofa (Pig))
BDBM25739
PNG
(4-({4-[(adamantan-1-ylcarbamoyl)amino]cyclohexyl}o...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27,(14.72,-2.13,;14.72,-.59,;16.06,.18,;13.39,.18,;13.39,1.72,;12.06,2.49,;10.72,1.72,;9.24,2.11,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-1.14,3.3,;-2.2,4.45,;-3.36,3.57,;-3.92,1.7,;-5.24,1.54,;-4.25,2.53,;-3.76,4.14,;-3.03,1.56,;-2.63,.75,;10.72,.18,;12.06,-.59,)|
Show InChI InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)
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n/an/a 8n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))
BDBM100357
PNG
(US10383835, Compound 3d | US11123311, Compound 3d ...)
Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2 |THB:25:17:20:24.22.23,25:23:20:18.17.26,22:21:18:25.24.23,22:23:18:21.20.26|
Show InChI InChI=1S/C23H33N3O/c27-22(25-23-13-18-10-19(14-23)12-20(11-18)15-23)24-21-6-8-26(9-7-21)16-17-4-2-1-3-5-17/h1-5,18-21H,6-16H2,(H2,24,25,27)
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n/an/a 10n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Equus caballus (Horse))
BDBM25739
PNG
(4-({4-[(adamantan-1-ylcarbamoyl)amino]cyclohexyl}o...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27,(14.72,-2.13,;14.72,-.59,;16.06,.18,;13.39,.18,;13.39,1.72,;12.06,2.49,;10.72,1.72,;9.24,2.11,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-1.14,3.3,;-2.2,4.45,;-3.36,3.57,;-3.92,1.7,;-5.24,1.54,;-4.25,2.53,;-3.76,4.14,;-3.03,1.56,;-2.63,.75,;10.72,.18,;12.06,-.59,)|
Show InChI InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)
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n/an/a 10n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Sus scrofa (Pig))
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27|
Show InChI InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)
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n/an/a 11n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Sus scrofa (Pig))
BDBM25741
PNG
(4-{[4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amin...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |(13.39,-4.44,;13.39,-2.9,;14.72,-2.13,;12.06,-2.13,;12.06,-.59,;10.72,.18,;9.39,-.59,;7.9,-.2,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-2.92,1.08,;-4.25,1.85,;-4.25,3.4,;-5.58,4.17,;-6.92,3.39,;-8.25,4.16,;-8.25,2.62,;-6.92,1.85,;-2.92,4.17,;-1.58,3.4,;9.39,-2.13,;10.72,-2.9,)|
Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29)
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n/an/a 12n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Sus scrofa (Pig))
BDBM100423
PNG
(US10383835, Compound 1153 | US11123311, Compound A...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:22:13:20:16.17.18,THB:22:17:20:13.21.14,21:13:16:20.19.18,21:19:16:13.22.14,12:13:20:16.17.18|
Show InChI InChI=1S/C18H29N3O2/c1-12(22)21-4-2-16(3-5-21)19-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H2,19,20,23)
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n/an/a 13n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Ovis aries (Sheep))
BDBM50327846
PNG
(1-(1-(Cyclopropanecarbonyl)piperidin-4-yl)-3-(4-(t...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)cc1
Show InChI InChI=1S/C17H20F3N3O3/c18-17(19,20)26-14-5-3-12(4-6-14)21-16(25)22-13-7-9-23(10-8-13)15(24)11-1-2-11/h3-6,11,13H,1-2,7-10H2,(H2,21,22,25)
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n/an/a 18n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Equus caballus (Horse))
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27|
Show InChI InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)
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n/an/a 21n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Equus caballus (Horse))
BDBM25738
PNG
(1-adamantan-1-yl-3-{5-[2-(2-ethoxyethoxy)ethoxy]pe...)
Show SMILES CCOCCOCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27|
Show InChI InChI=1S/C22H40N2O4/c1-2-26-8-9-28-11-10-27-7-5-3-4-6-23-21(25)24-22-15-18-12-19(16-22)14-20(13-18)17-22/h18-20H,2-17H2,1H3,(H2,23,24,25)
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n/an/a 23n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Felis catus (Cat) (Felis silvestris catus))
BDBM25738
PNG
(1-adamantan-1-yl-3-{5-[2-(2-ethoxyethoxy)ethoxy]pe...)
Show SMILES CCOCCOCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27|
Show InChI InChI=1S/C22H40N2O4/c1-2-26-8-9-28-11-10-27-7-5-3-4-6-23-21(25)24-22-15-18-12-19(16-22)14-20(13-18)17-22/h18-20H,2-17H2,1H3,(H2,23,24,25)
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n/an/a 27n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Equus caballus (Horse))
BDBM50327846
PNG
(1-(1-(Cyclopropanecarbonyl)piperidin-4-yl)-3-(4-(t...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)cc1
Show InChI InChI=1S/C17H20F3N3O3/c18-17(19,20)26-14-5-3-12(4-6-14)21-16(25)22-13-7-9-23(10-8-13)15(24)11-1-2-11/h3-6,11,13H,1-2,7-10H2,(H2,21,22,25)
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n/an/a 28n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Equus caballus (Horse))
BDBM25741
PNG
(4-{[4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amin...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |(13.39,-4.44,;13.39,-2.9,;14.72,-2.13,;12.06,-2.13,;12.06,-.59,;10.72,.18,;9.39,-.59,;7.9,-.2,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-2.92,1.08,;-4.25,1.85,;-4.25,3.4,;-5.58,4.17,;-6.92,3.39,;-8.25,4.16,;-8.25,2.62,;-6.92,1.85,;-2.92,4.17,;-1.58,3.4,;9.39,-2.13,;10.72,-2.9,)|
Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29)
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n/an/a 29n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Ovis aries (Sheep))
BDBM25745
PNG
(3-(1-methanesulfonylpiperidin-4-yl)-1-[4-(trifluor...)
Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C14H18F3N3O4S/c1-25(22,23)20-8-6-11(7-9-20)19-13(21)18-10-2-4-12(5-3-10)24-14(15,16)17/h2-5,11H,6-9H2,1H3,(H2,18,19,21)
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n/an/a 30n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Ovis aries (Sheep))
BDBM50327848
PNG
(1-(1-(Ethylsulfonyl)piperidin-4-yl)-3-(4-(trifluor...)
Show SMILES CCS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H20F3N3O4S/c1-2-26(23,24)21-9-7-12(8-10-21)20-14(22)19-11-3-5-13(6-4-11)25-15(16,17)18/h3-6,12H,2,7-10H2,1H3,(H2,19,20,22)
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n/an/a 33n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Equus caballus (Horse))
BDBM50327848
PNG
(1-(1-(Ethylsulfonyl)piperidin-4-yl)-3-(4-(trifluor...)
Show SMILES CCS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H20F3N3O4S/c1-2-26(23,24)21-9-7-12(8-10-21)20-14(22)19-11-3-5-13(6-4-11)25-15(16,17)18/h3-6,12H,2,7-10H2,1H3,(H2,19,20,22)
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n/an/a 39n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Ovis aries (Sheep))
BDBM50327809
PNG
(1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)
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n/an/a 44n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Ovis aries (Sheep))
BDBM25730
PNG
(3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)urea | US...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)
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n/an/a 56n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Equus caballus (Horse))
BDBM25745
PNG
(3-(1-methanesulfonylpiperidin-4-yl)-1-[4-(trifluor...)
Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C14H18F3N3O4S/c1-25(22,23)20-8-6-11(7-9-20)19-13(21)18-10-2-4-12(5-3-10)24-14(15,16)17/h2-5,11H,6-9H2,1H3,(H2,18,19,21)
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n/an/a 59n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Sus scrofa (Pig))
BDBM25745
PNG
(3-(1-methanesulfonylpiperidin-4-yl)-1-[4-(trifluor...)
Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C14H18F3N3O4S/c1-25(22,23)20-8-6-11(7-9-20)19-13(21)18-10-2-4-12(5-3-10)24-14(15,16)17/h2-5,11H,6-9H2,1H3,(H2,18,19,21)
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n/an/a 60n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Sus scrofa (Pig))
BDBM25730
PNG
(3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)urea | US...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)
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n/an/a 61n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Ovis aries (Sheep))
BDBM100423
PNG
(US10383835, Compound 1153 | US11123311, Compound A...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:22:13:20:16.17.18,THB:22:17:20:13.21.14,21:13:16:20.19.18,21:19:16:13.22.14,12:13:20:16.17.18|
Show InChI InChI=1S/C18H29N3O2/c1-12(22)21-4-2-16(3-5-21)19-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H2,19,20,23)
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n/an/a 67n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Equus caballus (Horse))
BDBM50327809
PNG
(1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)
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n/an/a 68n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Canis lupus familiaris (Dog) (Canis familiaris))
BDBM25738
PNG
(1-adamantan-1-yl-3-{5-[2-(2-ethoxyethoxy)ethoxy]pe...)
Show SMILES CCOCCOCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27|
Show InChI InChI=1S/C22H40N2O4/c1-2-26-8-9-28-11-10-27-7-5-3-4-6-23-21(25)24-22-15-18-12-19(16-22)14-20(13-18)17-22/h18-20H,2-17H2,1H3,(H2,23,24,25)
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n/an/a 86n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))
BDBM100361
PNG
(US10383835, Compound 4d | US11123311, Compound 4d ...)
Show SMILES O=C(NCC1CCN(Cc2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2 |THB:26:18:21:25.23.24,26:24:21:19.18.27,23:22:19:26.25.24,23:24:19:22.21.27|
Show InChI InChI=1S/C24H35N3O/c28-23(26-24-13-20-10-21(14-24)12-22(11-20)15-24)25-16-18-6-8-27(9-7-18)17-19-4-2-1-3-5-19/h1-5,18,20-22H,6-17H2,(H2,25,26,28)
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n/an/a 110n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Equus caballus (Horse))
BDBM100423
PNG
(US10383835, Compound 1153 | US11123311, Compound A...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:22:13:20:16.17.18,THB:22:17:20:13.21.14,21:13:16:20.19.18,21:19:16:13.22.14,12:13:20:16.17.18|
Show InChI InChI=1S/C18H29N3O2/c1-12(22)21-4-2-16(3-5-21)19-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H2,19,20,23)
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n/an/a 121n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
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