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10 similar compounds to monomer 25741

Wt: 438.3
BDBM50217444
Wt: 438.3
BDBM50217477
Wt: 451.4
BDBM50436434
Wt: 438.3
BDBM158480
Wt: 438.3
BDBM158481
Wt: 451.4
BDBM158485
Wt: 451.4
BDBM158486
Wt: 422.3
BDBM158494
Wt: 419.3
BDBM158500
Wt: 466.4
BDBM158479

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50217444,50217477,50436434,158480,158481,158485,158486,158494,158500,158479   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epoxide hydratase


(Homo sapiens (Human))
BDBM158479
PNG
(US9029401, 1612)
Show SMILES CCOC(=O)c1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H25F3N2O5/c1-2-31-21(29)15-3-9-18(10-4-15)32-19-11-5-16(6-12-19)27-22(30)28-17-7-13-20(14-8-17)33-23(24,25)26/h3-4,7-10,13-14,16,19H,2,5-6,11-12H2,1H3,(H2,27,28,30)/t16-,19+
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n/an/a 3.40n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
See reference (Jones, P. D.; Wolf, N. M.; Morisseau, C.; Whetstone, P.; Hock, B.; Hammock, B. D. Anal. Biochem. 343:66-75; 2005) for sEH assay.


US Patent US9029401 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SR4
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50436434
PNG
(CHEMBL2397138)
Show SMILES CNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
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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n/an/a 0.5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...


Bioorg Med Chem Lett 23: 3732-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.011
BindingDB Entry DOI: 10.7270/Q2057HBP
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM158481
PNG
(US9029401, 1728 (t-TUCB))
Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
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)/t14-,17-
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The Regents of the University of California

US Patent


Assay Description
See reference (Jones, P. D.; Wolf, N. M.; Morisseau, C.; Whetstone, P.; Hock, B.; Hammock, B. D. Anal. Biochem. 343:66-75; 2005) for sEH assay.


US Patent US9029401 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SR4
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM158485
PNG
(US9029401, 2227)
Show SMILES CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
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
See reference (Jones, P. D.; Wolf, N. M.; Morisseau, C.; Whetstone, P.; Hock, B.; Hammock, B. D. Anal. Biochem. 343:66-75; 2005) for sEH assay.


US Patent US9029401 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SR4
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM158486
PNG
(US9029401, 2228)
Show SMILES CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
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
See reference (Jones, P. D.; Wolf, N. M.; Morisseau, C.; Whetstone, P.; Hock, B.; Hammock, B. D. Anal. Biochem. 343:66-75; 2005) for sEH assay.


US Patent US9029401 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SR4
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM158494
PNG
(US9029401, 2372)
Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H21F3N2O4/c22-21(23,24)14-3-5-15(6-4-14)25-20(29)26-16-7-11-18(12-8-16)30-17-9-1-13(2-10-17)19(27)28/h1-6,9-10,16,18H,7-8,11-12H2,(H,27,28)(H2,25,26,29)/t16-,18-
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The Regents of the University of California

US Patent


Assay Description
See reference (Jones, P. D.; Wolf, N. M.; Morisseau, C.; Whetstone, P.; Hock, B.; Hammock, B. D. Anal. Biochem. 343:66-75; 2005) for sEH assay.


US Patent US9029401 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SR4
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM158500
PNG
(US9029401, 2581)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C21H20F3N3O3/c22-21(23,24)30-19-11-5-16(6-12-19)27-20(28)26-15-3-9-18(10-4-15)29-17-7-1-14(13-25)2-8-17/h1-2,5-8,11-12,15,18H,3-4,9-10H2,(H2,26,27,28)/t15-,18-
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The Regents of the University of California

US Patent


Assay Description
See reference (Jones, P. D.; Wolf, N. M.; Morisseau, C.; Whetstone, P.; Hock, B.; Hammock, B. D. Anal. Biochem. 343:66-75; 2005) for sEH assay.


US Patent US9029401 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SR4
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM158481
PNG
(US9029401, 1728 (t-TUCB))
Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
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)/t14-,17-
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The Regents of the University of California

US Patent


Assay Description
Inhibitor Concentration at 50% enzyme inhibition (IC50) values were calculated by quantifying the end-point ADP production from each kinase reaction ...


US Patent US9029401 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SR4
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM158485
PNG
(US9029401, 2227)
Show SMILES CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
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
Inhibitor Concentration at 50% enzyme inhibition (IC50) values were calculated by quantifying the end-point ADP production from each kinase reaction ...


US Patent US9029401 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SR4
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM158486
PNG
(US9029401, 2228)
Show SMILES CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
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
Inhibitor Concentration at 50% enzyme inhibition (IC50) values were calculated by quantifying the end-point ADP production from each kinase reaction ...


US Patent US9029401 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SR4
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM158494
PNG
(US9029401, 2372)
Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H21F3N2O4/c22-21(23,24)14-3-5-15(6-4-14)25-20(29)26-16-7-11-18(12-8-16)30-17-9-1-13(2-10-17)19(27)28/h1-6,9-10,16,18H,7-8,11-12H2,(H,27,28)(H2,25,26,29)/t16-,18-
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The Regents of the University of California

US Patent


Assay Description
Inhibitor Concentration at 50% enzyme inhibition (IC50) values were calculated by quantifying the end-point ADP production from each kinase reaction ...


US Patent US9029401 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SR4
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM158485
PNG
(US9029401, 2227)
Show SMILES CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
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
Inhibitor Concentration at 50% enzyme inhibition (IC50) values were calculated by quantifying the end-point ADP production from each kinase reaction ...


US Patent US9029401 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SR4
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50217444
PNG
(CHEMBL244002 | cis-4-{4-[3-(4-trifluoromethoxyphen...)
Show SMILES OC(=O)c1cccc(O[C@@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-17-10-6-15(7-11-17)26-20(29)25-14-4-8-16(9-5-14)30-18-3-1-2-13(12-18)19(27)28/h1-3,6-7,10-12,14,16H,4-5,8-9H2,(H,27,28)(H2,25,26,29)/t14-,16+
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n/an/a 0.600n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase


J Med Chem 50: 3825-40 (2007)


Article DOI: 10.1021/jm070270t
BindingDB Entry DOI: 10.7270/Q2TQ62BW
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50217477
PNG
(CHEMBL243793 | trans-4-{4-[3-(4-trifluoromethoxyph...)
Show SMILES OC(=O)c1cccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-17-10-6-15(7-11-17)26-20(29)25-14-4-8-16(9-5-14)30-18-3-1-2-13(12-18)19(27)28/h1-3,6-7,10-12,14,16H,4-5,8-9H2,(H,27,28)(H2,25,26,29)/t14-,16-
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University of California-Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase


J Med Chem 50: 3825-40 (2007)


Article DOI: 10.1021/jm070270t
BindingDB Entry DOI: 10.7270/Q2TQ62BW
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM158480
PNG
(US9029401, 1686)
Show SMILES OC(=O)c1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
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)/t14-,17+
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The Regents of the University of California

US Patent


Assay Description
See reference (Jones, P. D.; Wolf, N. M.; Morisseau, C.; Whetstone, P.; Hock, B.; Hammock, B. D. Anal. Biochem. 343:66-75; 2005) for sEH assay.


US Patent US9029401 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SR4
More data for this
Ligand-Target Pair