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PubMed code 23489630

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
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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Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Shanxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in Escherichia coli assessed as inhibition of substrate PHOME hydrolysis to 6-methoxy-2-naphthaldehyde ...


Bioorg Med Chem Lett 23: 2380-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.048
BindingDB Entry DOI: 10.7270/Q2ZK5J14
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50432372
PNG
(CHEMBL2348389)
Show SMILES Cc1ccc(cc1)C(=O)Oc1cccc2oc(=O)[nH]c12
Show InChI InChI=1S/C15H11NO4/c1-9-5-7-10(8-6-9)14(17)19-11-3-2-4-12-13(11)16-15(18)20-12/h2-8H,1H3,(H,16,18)
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n/an/a 1.07E+3n/an/an/an/an/an/a



Shanxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in Escherichia coli assessed as inhibition of substrate PHOME hydrolysis to 6-methoxy-2-naphthaldehyde ...


Bioorg Med Chem Lett 23: 2380-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.048
BindingDB Entry DOI: 10.7270/Q2ZK5J14
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50432371
PNG
(CHEMBL2348407)
Show SMILES CC(C)(C)OC(=O)N1CCCC1C(=O)Oc1cccc2oc(=O)[nH]c12
Show InChI InChI=1S/C17H20N2O6/c1-17(2,3)25-16(22)19-9-5-6-10(19)14(20)23-11-7-4-8-12-13(11)18-15(21)24-12/h4,7-8,10H,5-6,9H2,1-3H3,(H,18,21)
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n/an/a 1.72E+3n/an/an/an/an/an/a



Shanxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in Escherichia coli assessed as inhibition of substrate PHOME hydrolysis to 6-methoxy-2-naphthaldehyde ...


Bioorg Med Chem Lett 23: 2380-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.048
BindingDB Entry DOI: 10.7270/Q2ZK5J14
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50432370
PNG
(CHEMBL2348404)
Show SMILES CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)Oc1cccc2oc(=O)[nH]c12
Show InChI InChI=1S/C21H22N2O6/c1-21(2,3)29-20(26)22-14(12-13-8-5-4-6-9-13)18(24)27-15-10-7-11-16-17(15)23-19(25)28-16/h4-11,14H,12H2,1-3H3,(H,22,26)(H,23,25)
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n/an/a 2.67E+3n/an/an/an/an/an/a



Shanxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in Escherichia coli assessed as inhibition of substrate PHOME hydrolysis to 6-methoxy-2-naphthaldehyde ...


Bioorg Med Chem Lett 23: 2380-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.048
BindingDB Entry DOI: 10.7270/Q2ZK5J14
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50432369
PNG
(CHEMBL2348192)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Oc1cccc2oc(=O)[nH]c12
Show InChI InChI=1S/C14H8N2O6/c17-13(8-3-1-4-9(7-8)16(19)20)21-10-5-2-6-11-12(10)15-14(18)22-11/h1-7H,(H,15,18)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Shanxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in Escherichia coli assessed as inhibition of substrate PHOME hydrolysis to 6-methoxy-2-naphthaldehyde ...


Bioorg Med Chem Lett 23: 2380-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.048
BindingDB Entry DOI: 10.7270/Q2ZK5J14
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50432368
PNG
(CHEMBL2348405)
Show SMILES CSCCC(NC(=O)OC(C)(C)C)C(=O)Oc1cccc2oc(=O)[nH]c12
Show InChI InChI=1S/C17H22N2O6S/c1-17(2,3)25-16(22)18-10(8-9-26-4)14(20)23-11-6-5-7-12-13(11)19-15(21)24-12/h5-7,10H,8-9H2,1-4H3,(H,18,22)(H,19,21)
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n/an/a 3.02E+3n/an/an/an/an/an/a



Shanxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in Escherichia coli assessed as inhibition of substrate PHOME hydrolysis to 6-methoxy-2-naphthaldehyde ...


Bioorg Med Chem Lett 23: 2380-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.048
BindingDB Entry DOI: 10.7270/Q2ZK5J14
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50432367
PNG
(CHEMBL2348402)
Show SMILES CC(NC(=O)OC(C)(C)C)C(=O)Oc1cccc2oc(=O)[nH]c12
Show InChI InChI=1S/C15H18N2O6/c1-8(16-14(20)23-15(2,3)4)12(18)21-9-6-5-7-10-11(9)17-13(19)22-10/h5-8H,1-4H3,(H,16,20)(H,17,19)
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n/an/a 1.64E+4n/an/an/an/an/an/a



Shanxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in Escherichia coli assessed as inhibition of substrate PHOME hydrolysis to 6-methoxy-2-naphthaldehyde ...


Bioorg Med Chem Lett 23: 2380-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.048
BindingDB Entry DOI: 10.7270/Q2ZK5J14
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50432366
PNG
(CHEMBL2348401)
Show SMILES CC(C)(C)OC(=O)NCC(=O)Oc1cccc2oc(=O)[nH]c12
Show InChI InChI=1S/C14H16N2O6/c1-14(2,3)22-12(18)15-7-10(17)20-8-5-4-6-9-11(8)16-13(19)21-9/h4-6H,7H2,1-3H3,(H,15,18)(H,16,19)
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PubMed
n/an/a 1.72E+4n/an/an/an/an/an/a



Shanxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in Escherichia coli assessed as inhibition of substrate PHOME hydrolysis to 6-methoxy-2-naphthaldehyde ...


Bioorg Med Chem Lett 23: 2380-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.048
BindingDB Entry DOI: 10.7270/Q2ZK5J14
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%