BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 152 hits with Last Name = 'wittmann' and Initial = 'sk'   
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
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50116538
PNG
(3-{[3-(4-Benzyl-phenoxy)-propyl]-methyl-amino}-pro...)
Show SMILES CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(O)=O
Show InChI InChI=1S/C20H25NO3/c1-21(14-12-20(22)23)13-5-15-24-19-10-8-18(9-11-19)16-17-6-3-2-4-7-17/h2-4,6-11H,5,12-16H2,1H3,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
3n/an/an/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using varying levels of L-arginine-7-amino...


Bioorg Med Chem 24: 5243-5248 (2016)


Article DOI: 10.1016/j.bmc.2016.08.047
BindingDB Entry DOI: 10.7270/Q2959KH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50197085
PNG
(CHEMBL3921982)
Show SMILES CN(C)CCOc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H19NO2/c1-17(2)12-13-18-14-8-10-16(11-9-14)19-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
160n/an/an/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Competitive inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using varying levels of L-arginine-7-amino-4-M...


Bioorg Med Chem 24: 5243-5248 (2016)


Article DOI: 10.1016/j.bmc.2016.08.047
BindingDB Entry DOI: 10.7270/Q2959KH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM23971
PNG
((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
320n/an/an/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Competitive inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using varying levels of L-arginine-7-amino-4-M...


Bioorg Med Chem 24: 5243-5248 (2016)


Article DOI: 10.1016/j.bmc.2016.08.047
BindingDB Entry DOI: 10.7270/Q2959KH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50197084
PNG
(CHEMBL3883608)
Show SMILES Nc1nc(cs1)-c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C16H14N2S/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
360n/an/an/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Competitive inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using varying levels of L-arginine-7-amino-4-M...


Bioorg Med Chem 24: 5243-5248 (2016)


Article DOI: 10.1016/j.bmc.2016.08.047
BindingDB Entry DOI: 10.7270/Q2959KH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
Article
PubMed
3.70E+3n/an/an/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Competitive inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using varying levels of L-arginine-7-amino-4-M...


Bioorg Med Chem 24: 5243-5248 (2016)


Article DOI: 10.1016/j.bmc.2016.08.047
BindingDB Entry DOI: 10.7270/Q2959KH9
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50116538
PNG
(3-{[3-(4-Benzyl-phenoxy)-propyl]-methyl-amino}-pro...)
Show SMILES CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(O)=O
Show InChI InChI=1S/C20H25NO3/c1-21(14-12-20(22)23)13-5-15-24-19-10-8-18(9-11-19)16-17-6-3-2-4-7-17/h2-4,6-11H,5,12-16H2,1H3,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using L-arginine-7-amino-4-Methylcoumarine as substrate pr...


Bioorg Med Chem 24: 5243-5248 (2016)


Article DOI: 10.1016/j.bmc.2016.08.047
BindingDB Entry DOI: 10.7270/Q2959KH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144900
PNG
(CHEMBL3764468)
Show SMILES CCOC(=O)C(CC)Cc1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H24F3NO3/c1-3-16(21(28)29-4-2)12-15-8-7-10-17(13-15)20(27)26-14-18-9-5-6-11-19(18)22(23,24)25/h5-11,13,16H,3-4,12,14H2,1-2H3,(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...


J Med Chem 59: 61-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01239
BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429375
PNG
(CHEMBL2336307)
Show SMILES COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(Cl)cn2c1NC1CCCCC1
Show InChI InChI=1S/C31H33ClF3N5O3/c1-42-26-18-20(28-29(37-23-6-3-2-4-7-23)40-19-22(32)11-15-27(40)39-28)8-14-25(26)43-17-5-16-36-30(41)38-24-12-9-21(10-13-24)31(33,34)35/h8-15,18-19,23,37H,2-7,16-17H2,1H3,(H2,36,38,41)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144830
PNG
(CHEMBL3764004)
Show SMILES CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccccc1OC(F)(F)F
Show InChI InChI=1S/C22H24F3NO4/c1-3-16(21(28)29-4-2)13-15-9-11-17(12-10-15)20(27)26-14-18-7-5-6-8-19(18)30-22(23,24)25/h5-12,16H,3-4,13-14H2,1-2H3,(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...


J Med Chem 59: 61-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01239
BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144891
PNG
(CHEMBL3764792)
Show SMILES CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccc(OC)cc1C(F)(F)F
Show InChI InChI=1S/C23H26F3NO4/c1-4-16(22(29)31-5-2)12-15-6-8-17(9-7-15)21(28)27-14-18-10-11-19(30-3)13-20(18)23(24,25)26/h6-11,13,16H,4-5,12,14H2,1-3H3,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...


J Med Chem 59: 61-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01239
BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429376
PNG
(CHEMBL2336306)
Show SMILES COc1cc(ccc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1nc2ccc(Cl)cn2c1NC1CCCCC1
Show InChI InChI=1S/C31H33ClF3N5O4/c1-42-26-18-20(28-29(37-22-6-3-2-4-7-22)40-19-21(32)9-15-27(40)39-28)8-14-25(26)43-17-5-16-36-30(41)38-23-10-12-24(13-11-23)44-31(33,34)35/h8-15,18-19,22,37H,2-7,16-17H2,1H3,(H2,36,38,41)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429365
PNG
(CHEMBL2336297)
Show SMILES COc1ccc(cc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1nc2ccc(C)cn2c1NC1CCCCC1
Show InChI InChI=1S/C32H36F3N5O4/c1-21-9-16-28-39-29(30(40(28)20-21)37-23-7-4-3-5-8-23)22-10-15-26(42-2)27(19-22)43-18-6-17-36-31(41)38-24-11-13-25(14-12-24)44-32(33,34)35/h9-16,19-20,23,37H,3-8,17-18H2,1-2H3,(H2,36,38,41)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429364
PNG
(CHEMBL2336298)
Show SMILES COc1ccc(cc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(C)cn2c1NC1CCCCC1
Show InChI InChI=1S/C32H36F3N5O3/c1-21-9-16-28-39-29(30(40(28)20-21)37-24-7-4-3-5-8-24)22-10-15-26(42-2)27(19-22)43-18-6-17-36-31(41)38-25-13-11-23(12-14-25)32(33,34)35/h9-16,19-20,24,37H,3-8,17-18H2,1-2H3,(H2,36,38,41)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144899
PNG
(CHEMBL3765080)
Show SMILES CCOC(=O)C(\CC)=C\c1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H22F3NO3/c1-3-16(21(28)29-4-2)12-15-8-7-10-17(13-15)20(27)26-14-18-9-5-6-11-19(18)22(23,24)25/h5-13H,3-4,14H2,1-2H3,(H,26,27)/b16-12+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...


J Med Chem 59: 61-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01239
BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429367
PNG
(CHEMBL2336315)
Show SMILES COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(F)cn2c1NC1CCCC1
Show InChI InChI=1S/C30H31F4N5O3/c1-41-25-17-19(27-28(36-22-5-2-3-6-22)39-18-21(31)10-14-26(39)38-27)7-13-24(25)42-16-4-15-35-29(40)37-23-11-8-20(9-12-23)30(32,33)34/h7-14,17-18,22,36H,2-6,15-16H2,1H3,(H2,35,37,40)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429378
PNG
(CHEMBL2336304)
Show SMILES COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(C)cn2c1NC1CCCCC1
Show InChI InChI=1S/C32H36F3N5O3/c1-21-9-16-28-39-29(30(40(28)20-21)37-24-7-4-3-5-8-24)22-10-15-26(27(19-22)42-2)43-18-6-17-36-31(41)38-25-13-11-23(12-14-25)32(33,34)35/h9-16,19-20,24,37H,3-8,17-18H2,1-2H3,(H2,36,38,41)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144794
PNG
(CHEMBL3764773)
Show SMILES CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H24F3NO3/c1-3-16(21(28)29-4-2)13-15-9-11-17(12-10-15)20(27)26-14-18-7-5-6-8-19(18)22(23,24)25/h5-12,16H,3-4,13-14H2,1-2H3,(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...


J Med Chem 59: 61-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01239
BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429373
PNG
(CHEMBL2336309)
Show SMILES COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(F)cn2c1NC1CCCCC1
Show InChI InChI=1S/C31H33F4N5O3/c1-42-26-18-20(28-29(37-23-6-3-2-4-7-23)40-19-22(32)11-15-27(40)39-28)8-14-25(26)43-17-5-16-36-30(41)38-24-12-9-21(10-13-24)31(33,34)35/h8-15,18-19,23,37H,2-7,16-17H2,1H3,(H2,36,38,41)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50365632
PNG
(CHEMBL1957971)
Show SMILES Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C24H30N4O/c1-18-7-12-22-26-23(24(28(22)17-18)25-20-5-3-2-4-6-20)19-8-10-21(11-9-19)27-13-15-29-16-14-27/h7-12,17,20,25H,2-6,13-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50197085
PNG
(CHEMBL3921982)
Show SMILES CN(C)CCOc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H19NO2/c1-17(2)12-13-18-14-8-10-16(11-9-14)19-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using L-arginine-7-amino-4-Methylcoumarine as substrate pr...


Bioorg Med Chem 24: 5243-5248 (2016)


Article DOI: 10.1016/j.bmc.2016.08.047
BindingDB Entry DOI: 10.7270/Q2959KH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429363
PNG
(CHEMBL2336299)
Show SMILES Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(OCCCNC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C31H34F3N5O2/c1-21-8-17-27-38-28(29(39(27)20-21)36-24-6-3-2-4-7-24)22-9-15-26(16-10-22)41-19-5-18-35-30(40)37-25-13-11-23(12-14-25)31(32,33)34/h8-17,20,24,36H,2-7,18-19H2,1H3,(H2,35,37,40)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 62n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144898
PNG
(CHEMBL3764393)
Show SMILES CCOC(=O)C(\CC)=C\c1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H22F3NO3/c1-3-16(21(28)29-4-2)13-15-9-11-17(12-10-15)20(27)26-14-18-7-5-6-8-19(18)22(23,24)25/h5-13H,3-4,14H2,1-2H3,(H,26,27)/b16-13+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...


J Med Chem 59: 61-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01239
BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429377
PNG
(CHEMBL2336305)
Show SMILES COc1cc(ccc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1nc2ccc(C)cn2c1NC1CCCCC1
Show InChI InChI=1S/C32H36F3N5O4/c1-21-9-16-28-39-29(30(40(28)20-21)37-23-7-4-3-5-8-23)22-10-15-26(27(19-22)42-2)43-18-6-17-36-31(41)38-24-11-13-25(14-12-24)44-32(33,34)35/h9-16,19-20,23,37H,3-8,17-18H2,1-2H3,(H2,36,38,41)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429380
PNG
(CHEMBL2336737)
Show SMILES CC(C)Nc1c(nc2ccc(C)cn12)-c1ccc(OCC2CCN(CC2)C(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C30H34ClN5O2/c1-20(2)32-29-28(34-27-13-4-21(3)18-36(27)29)23-5-11-26(12-6-23)38-19-22-14-16-35(17-15-22)30(37)33-25-9-7-24(31)8-10-25/h4-13,18,20,22,32H,14-17,19H2,1-3H3,(H,33,37)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429371
PNG
(CHEMBL2336311)
Show SMILES COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(C)cn2c1NC1CCCC1
Show InChI InChI=1S/C31H34F3N5O3/c1-20-8-15-27-38-28(29(39(27)19-20)36-23-6-3-4-7-23)21-9-14-25(26(18-21)41-2)42-17-5-16-35-30(40)37-24-12-10-22(11-13-24)31(32,33)34/h8-15,18-19,23,36H,3-7,16-17H2,1-2H3,(H2,35,37,40)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429379
PNG
(CHEMBL2336303)
Show SMILES COc1cc(ccc1OCCCNC(=O)Nc1ccc(Cl)cc1)-c1nc2ccc(C)cn2c1NC1CCCCC1
Show InChI InChI=1S/C31H36ClN5O3/c1-21-9-16-28-36-29(30(37(28)20-21)34-24-7-4-3-5-8-24)22-10-15-26(27(19-22)39-2)40-18-6-17-33-31(38)35-25-13-11-23(32)12-14-25/h9-16,19-20,24,34H,3-8,17-18H2,1-2H3,(H2,33,35,38)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144896
PNG
(CHEMBL3763179)
Show SMILES CON(C)C(=O)\C=C\c1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C20H19F3N2O3/c1-25(28-2)18(26)12-9-14-7-10-15(11-8-14)19(27)24-13-16-5-3-4-6-17(16)20(21,22)23/h3-12H,13H2,1-2H3,(H,24,27)/b12-9+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...


J Med Chem 59: 61-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01239
BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429372
PNG
(CHEMBL2336310)
Show SMILES COc1cc(ccc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1nc2ccc(C)cn2c1NC1CCCC1
Show InChI InChI=1S/C31H34F3N5O4/c1-20-8-15-27-38-28(29(39(27)19-20)36-22-6-3-4-7-22)21-9-14-25(26(18-21)41-2)42-17-5-16-35-30(40)37-23-10-12-24(13-11-23)43-31(32,33)34/h8-15,18-19,22,36H,3-7,16-17H2,1-2H3,(H2,35,37,40)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 71n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144897
PNG
(CHEMBL3765638)
Show SMILES CON(C)C(=O)C1CC1c1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H21F3N2O3/c1-26(29-2)20(28)17-11-16(17)13-7-9-14(10-8-13)19(27)25-12-15-5-3-4-6-18(15)21(22,23)24/h3-10,16-17H,11-12H2,1-2H3,(H,25,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...


J Med Chem 59: 61-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01239
BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429374
PNG
(CHEMBL2336308)
Show SMILES COc1cc(ccc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1nc2ccc(F)cn2c1NC1CCCCC1
Show InChI InChI=1S/C31H33F4N5O4/c1-42-26-18-20(28-29(37-22-6-3-2-4-7-22)40-19-21(32)9-15-27(40)39-28)8-14-25(26)43-17-5-16-36-30(41)38-23-10-12-24(13-11-23)44-31(33,34)35/h8-15,18-19,22,37H,2-7,16-17H2,1H3,(H2,36,38,41)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 82n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429368
PNG
(CHEMBL2336314)
Show SMILES COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(Cl)cn2c1NC1CCCC1
Show InChI InChI=1S/C30H31ClF3N5O3/c1-41-25-17-19(27-28(36-22-5-2-3-6-22)39-18-21(31)10-14-26(39)38-27)7-13-24(25)42-16-4-15-35-29(40)37-23-11-8-20(9-12-23)30(32,33)34/h7-14,17-18,22,36H,2-6,15-16H2,1H3,(H2,35,37,40)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 92n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429361
PNG
(CHEMBL2336301)
Show SMILES COc1cc(ccc1OCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)-c1nc2ccc(C)cn2c1NC1CCCCC1
Show InChI InChI=1S/C35H47N5O3/c1-23-9-12-31-38-32(33(40(31)22-23)37-28-7-4-3-5-8-28)27-10-11-29(30(18-27)42-2)43-14-6-13-36-34(41)39-35-19-24-15-25(20-35)17-26(16-24)21-35/h9-12,18,22,24-26,28,37H,3-8,13-17,19-21H2,1-2H3,(H2,36,39,41)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429366
PNG
(CHEMBL2336316)
Show SMILES COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(Cl)cn2c1NC(C)C
Show InChI InChI=1S/C28H29ClF3N5O3/c1-17(2)34-26-25(36-24-12-8-20(29)16-37(24)26)18-5-11-22(23(15-18)39-3)40-14-4-13-33-27(38)35-21-9-6-19(7-10-21)28(30,31)32/h5-12,15-17,34H,4,13-14H2,1-3H3,(H2,33,35,38)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 104n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429381
PNG
(CHEMBL2336736)
Show SMILES Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(OCC2CCN(CC2)C(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C33H38ClN5O2/c1-23-7-16-30-37-31(32(39(30)21-23)35-27-5-3-2-4-6-27)25-8-14-29(15-9-25)41-22-24-17-19-38(20-18-24)33(40)36-28-12-10-26(34)11-13-28/h7-16,21,24,27,35H,2-6,17-20,22H2,1H3,(H,36,40)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 106n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 107n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli after 15 mins by HPLC analysis


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144903
PNG
(CHEMBL3765492)
Show SMILES CCOC(=O)CCc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C20H20F3NO3/c1-2-27-18(25)12-9-14-7-10-15(11-8-14)19(26)24-13-16-5-3-4-6-17(16)20(21,22)23/h3-8,10-11H,2,9,12-13H2,1H3,(H,24,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...


J Med Chem 59: 61-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01239
BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50429377
PNG
(CHEMBL2336305)
Show SMILES COc1cc(ccc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1nc2ccc(C)cn2c1NC1CCCCC1
Show InChI InChI=1S/C32H36F3N5O4/c1-21-9-16-28-39-29(30(40(28)20-21)37-23-7-4-3-5-8-23)22-10-15-26(27(19-22)42-2)43-18-6-17-36-31(41)38-24-11-13-25(14-12-24)44-32(33,34)35/h9-16,19-20,23,37H,3-8,17-18H2,1-2H3,(H2,36,38,41)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 116n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli after 15 mins by HPLC analysis


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144888
PNG
(CHEMBL3763887)
Show SMILES CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccc(F)cc1C(F)(F)F
Show InChI InChI=1S/C22H23F4NO3/c1-3-15(21(29)30-4-2)11-14-5-7-16(8-6-14)20(28)27-13-17-9-10-18(23)12-19(17)22(24,25)26/h5-10,12,15H,3-4,11,13H2,1-2H3,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...


J Med Chem 59: 61-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01239
BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144796
PNG
(CHEMBL3764848)
Show SMILES CC\C(=C/c1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C20H18F3NO3/c1-2-14(19(26)27)11-13-7-9-15(10-8-13)18(25)24-12-16-5-3-4-6-17(16)20(21,22)23/h3-11H,2,12H2,1H3,(H,24,25)(H,26,27)/b14-11+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...


J Med Chem 59: 61-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01239
BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144802
PNG
(CHEMBL3763278)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C26H24F3NO3/c1-2-33-25(32)22(19-8-4-3-5-9-19)16-18-12-14-20(15-13-18)24(31)30-17-21-10-6-7-11-23(21)26(27,28)29/h3-15,22H,2,16-17H2,1H3,(H,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...


J Med Chem 59: 61-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01239
BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429370
PNG
(CHEMBL2336312)
Show SMILES COc1cc(ccc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1nc2ccc(C)cn2c1NC(C)C
Show InChI InChI=1S/C29H32F3N5O4/c1-18(2)34-27-26(36-25-13-6-19(3)17-37(25)27)20-7-12-23(24(16-20)39-4)40-15-5-14-33-28(38)35-21-8-10-22(11-9-21)41-29(30,31)32/h6-13,16-18,34H,5,14-15H2,1-4H3,(H2,33,35,38)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 147n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144800
PNG
(CHEMBL3764450)
Show SMILES CCCC(Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F)C(=O)OCC
Show InChI InChI=1S/C23H26F3NO3/c1-3-7-18(22(29)30-4-2)14-16-10-12-17(13-11-16)21(28)27-15-19-8-5-6-9-20(19)23(24,25)26/h5-6,8-13,18H,3-4,7,14-15H2,1-2H3,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...


J Med Chem 59: 61-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01239
BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50144893
PNG
(CHEMBL3765559)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H16F3NO3/c23-22(24,25)19-4-2-1-3-18(19)13-26-20(27)16-9-5-14(6-10-16)15-7-11-17(12-8-15)21(28)29/h1-12H,13H2,(H,26,27)(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...


J Med Chem 59: 61-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01239
BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50429361
PNG
(CHEMBL2336301)
Show SMILES COc1cc(ccc1OCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)-c1nc2ccc(C)cn2c1NC1CCCCC1
Show InChI InChI=1S/C35H47N5O3/c1-23-9-12-31-38-32(33(40(31)22-23)37-28-7-4-3-5-8-28)27-10-11-29(30(18-27)42-2)43-14-6-13-36-34(41)39-35-19-24-15-25(20-35)17-26(16-24)21-35/h9-12,18,22,24-26,28,37H,3-8,13-17,19-21H2,1-2H3,(H2,36,39,41)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 189n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli after 15 mins by HPLC analysis


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429362
PNG
(CHEMBL2336300)
Show SMILES Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(OCCCNC(=O)Nc2ccc(cc2)C(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C31H33ClF3N5O2/c1-20-8-15-27-39-28(29(40(27)19-20)37-23-6-3-2-4-7-23)21-9-14-26(25(32)18-21)42-17-5-16-36-30(41)38-24-12-10-22(11-13-24)31(33,34)35/h8-15,18-19,23,37H,2-7,16-17H2,1H3,(H2,36,38,41)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 189n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50429360
PNG
(CHEMBL2336302)
Show SMILES COc1cc(ccc1OCCCNC(=O)NC1CCCCC1)-c1nc2ccc(C)cn2c1NC1CCCCC1
Show InChI InChI=1S/C31H43N5O3/c1-22-14-17-28-35-29(30(36(28)21-22)33-24-10-5-3-6-11-24)23-15-16-26(27(20-23)38-2)39-19-9-18-32-31(37)34-25-12-7-4-8-13-25/h14-17,20-21,24-25,33H,3-13,18-19H2,1-2H3,(H2,32,34,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli after 15 mins by HPLC analysis


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50429376
PNG
(CHEMBL2336306)
Show SMILES COc1cc(ccc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1nc2ccc(Cl)cn2c1NC1CCCCC1
Show InChI InChI=1S/C31H33ClF3N5O4/c1-42-26-18-20(28-29(37-22-6-3-2-4-7-22)40-19-21(32)9-15-27(40)39-28)8-14-25(26)43-17-5-16-36-30(41)38-23-10-12-24(13-11-23)44-31(33,34)35/h8-15,18-19,22,37H,2-7,16-17H2,1H3,(H2,36,38,41)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 191n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli after 15 mins by HPLC analysis


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50429362
PNG
(CHEMBL2336300)
Show SMILES Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(OCCCNC(=O)Nc2ccc(cc2)C(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C31H33ClF3N5O2/c1-20-8-15-27-39-28(29(40(27)19-20)37-23-6-3-2-4-7-23)21-9-14-26(25(32)18-21)42-17-5-16-36-30(41)38-24-12-10-22(11-13-24)31(33,34)35/h8-15,18-19,23,37H,2-7,16-17H2,1H3,(H2,36,38,41)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 192n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli after 15 mins by HPLC analysis


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429369
PNG
(CHEMBL2336313)
Show SMILES COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(C)cn2c1NC(C)C
Show InChI InChI=1S/C29H32F3N5O3/c1-18(2)34-27-26(36-25-13-6-19(3)17-37(25)27)20-7-12-23(24(16-20)39-4)40-15-5-14-33-28(38)35-22-10-8-21(9-11-22)29(30,31)32/h6-13,16-18,34H,5,14-15H2,1-4H3,(H2,33,35,38)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 201n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50429360
PNG
(CHEMBL2336302)
Show SMILES COc1cc(ccc1OCCCNC(=O)NC1CCCCC1)-c1nc2ccc(C)cn2c1NC1CCCCC1
Show InChI InChI=1S/C31H43N5O3/c1-22-14-17-28-35-29(30(36(28)21-22)33-24-10-5-3-6-11-24)23-15-16-26(27(20-23)38-2)39-19-9-18-32-31(37)34-25-12-7-4-8-13-25/h14-17,20-21,24-25,33H,3-13,18-19H2,1-2H3,(H2,32,34,37)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 242n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-o...


J Med Chem 56: 1777-81 (2013)


Article DOI: 10.1021/jm301617j
BindingDB Entry DOI: 10.7270/Q2377B16
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 152 total )  |  Next  |  Last  >>
Jump to: