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Compile Data Set for Download or QSAR

Found 153 hits with Last Name = 'brown' and Initial = 'jr'   
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 hydratase


(Homo sapiens (Human))
BDBM50351222
PNG
(CHEMBL1818408)
Show SMILES Fc1c(NC(=O)NC2CCCCCCC2)cccc1C(F)(F)F
Show InChI InChI=1S/C16H20F4N2O/c17-14-12(16(18,19)20)9-6-10-13(14)22-15(23)21-11-7-4-2-1-3-5-8-11/h6,9-11H,1-5,7-8H2,(H2,21,22,23)
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n/an/a 0.400n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351223
PNG
(CHEMBL1818407)
Show SMILES CCCCCCCNC(=O)Nc1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C15H20F4N2O/c1-2-3-4-5-6-10-20-14(22)21-12-9-7-8-11(13(12)16)15(17,18)19/h7-9H,2-6,10H2,1H3,(H2,20,21,22)
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351248
PNG
(CHEMBL1818384)
Show SMILES Fc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)c(F)c1F
Show InChI InChI=1S/C17H19F3N2O/c18-12-1-2-13(15(20)14(12)19)21-17(23)22-16-10-4-8-3-9(6-10)7-11(16)5-8/h1-2,8-11,16H,3-7H2,(H2,21,22,23)
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n/an/a 0.400n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351247
PNG
(CHEMBL1818385)
Show SMILES Fc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c(F)c1F
Show InChI InChI=1S/C17H19F3N2O/c18-12-1-2-13(15(20)14(12)19)21-16(23)22-17-6-9-3-10(7-17)5-11(4-9)8-17/h1-2,9-11H,3-8H2,(H2,21,22,23)
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n/an/a 0.400n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351226
PNG
(CHEMBL1818404)
Show SMILES Cc1ccc(NC(=O)NC2CCCCCCC2)cc1Cl
Show InChI InChI=1S/C16H23ClN2O/c1-12-9-10-14(11-15(12)17)19-16(20)18-13-7-5-3-2-4-6-8-13/h9-11,13H,2-8H2,1H3,(H2,18,19,20)
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n/an/a 0.400n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351228
PNG
(CHEMBL1817677)
Show SMILES Cc1ccc(NC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1Cl
Show InChI InChI=1S/C19H25ClN2O/c1-12-2-3-16(7-17(12)20)22-18(23)21-11-19-8-13-4-14(9-19)6-15(5-13)10-19/h2-3,7,13-15H,4-6,8-11H2,1H3,(H2,21,22,23)
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM53878
PNG
(4,5-dimethoxy-2-[2-(5-phenylthieno[2,3-d]pyrimidin...)
Show SMILES COc1cc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)c(cc1OC)C(O)=O
Show InChI InChI=1S/C23H19N3O5S2/c1-30-17-8-14(23(28)29)16(9-18(17)31-2)26-19(27)11-33-22-20-15(13-6-4-3-5-7-13)10-32-21(20)24-12-25-22/h3-10,12H,11H2,1-2H3,(H,26,27)(H,28,29)
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n/an/a 0.400n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351242
PNG
(CHEMBL1818390)
Show SMILES Fc1ccc(NC(=O)NC2CCCCCCC2)c(F)c1F
Show InChI InChI=1S/C15H19F3N2O/c16-11-8-9-12(14(18)13(11)17)20-15(21)19-10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H2,19,20,21)
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n/an/a 0.400n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351243
PNG
(CHEMBL1818389)
Show SMILES CC1(C)C2CC1C(CNC(=O)Nc1ccc(F)c(F)c1F)CC2
Show InChI InChI=1S/C17H21F3N2O/c1-17(2)10-4-3-9(11(17)7-10)8-21-16(23)22-13-6-5-12(18)14(19)15(13)20/h5-6,9-11H,3-4,7-8H2,1-2H3,(H2,21,22,23)
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351244
PNG
(CHEMBL1818388)
Show SMILES CC1C2CC(CC1NC(=O)Nc1ccc(F)c(F)c1F)C2(C)C
Show InChI InChI=1S/C17H21F3N2O/c1-8-10-6-9(17(10,2)3)7-13(8)22-16(23)21-12-5-4-11(18)14(19)15(12)20/h4-5,8-10,13H,6-7H2,1-3H3,(H2,21,22,23)
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n/an/a 0.400n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351245
PNG
(CHEMBL1818387)
Show SMILES CCCCCCCNC(=O)Nc1ccc(F)c(F)c1F
Show InChI InChI=1S/C14H19F3N2O/c1-2-3-4-5-6-9-18-14(20)19-11-8-7-10(15)12(16)13(11)17/h7-8H,2-6,9H2,1H3,(H2,18,19,20)
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n/an/a 0.400n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351246
PNG
(CHEMBL1818386)
Show SMILES Fc1ccc(NC(=O)NCC23CC4CC(CC(C4)C2)C3)c(F)c1F
Show InChI InChI=1S/C18H21F3N2O/c19-13-1-2-14(16(21)15(13)20)23-17(24)22-9-18-6-10-3-11(7-18)5-12(4-10)8-18/h1-2,10-12H,3-9H2,(H2,22,23,24)
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351237
PNG
(CHEMBL1818395)
Show SMILES CC(=O)c1cccc(NC(=O)NC2C3CC4CC(C3)CC2C4)c1
Show InChI InChI=1S/C19H24N2O2/c1-11(22)14-3-2-4-17(10-14)20-19(23)21-18-15-6-12-5-13(8-15)9-16(18)7-12/h2-4,10,12-13,15-16,18H,5-9H2,1H3,(H2,20,21,23)
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351229
PNG
(CHEMBL1818402)
Show SMILES CCCCCCCNC(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C18H32N2O/c1-2-3-4-5-6-7-19-18(21)20-17-15-9-13-8-14(11-15)12-16(17)10-13/h13-17H,2-12H2,1H3,(H2,19,20,21)
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n/an/a 0.5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50193013
PNG
(DUVELISIB | Duvelisib | INK-1147 | INK-1197 | IPI-...)
Show SMILES C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1
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n/an/a<0.5n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay


ACS Med Chem Lett 7: 908-912 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00209
BindingDB Entry DOI: 10.7270/Q27P91B0
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351230
PNG
(CHEMBL1818401)
Show SMILES CCCCCCNC(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C17H30N2O/c1-2-3-4-5-6-18-17(20)19-16-14-8-12-7-13(10-14)11-15(16)9-12/h12-16H,2-11H2,1H3,(H2,18,19,20)
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n/an/a 1n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351239
PNG
(CHEMBL1818393)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C18H21N3O/c19-10-11-1-3-16(4-2-11)20-18(22)21-17-14-6-12-5-13(8-14)9-15(17)7-12/h1-4,12-15,17H,5-9H2,(H2,20,21,22)
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n/an/a 1.10n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351241
PNG
(CHEMBL1818391)
Show SMILES Fc1ccc(NC(=O)NC2CCCCC2)c(F)c1F
Show InChI InChI=1S/C13H15F3N2O/c14-9-6-7-10(12(16)11(9)15)18-13(19)17-8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,17,18,19)
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM25733
PNG
(CHEMBL476614 | Urea-based compound, 14 | methyl 4-...)
Show SMILES COC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1O
Show InChI InChI=1S/C19H24N2O4/c1-25-17(23)15-3-2-14(7-16(15)22)20-18(24)21-19-8-11-4-12(9-19)6-13(5-11)10-19/h2-3,7,11-13,22H,4-6,8-10H2,1H3,(H2,20,21,24)
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50193032
PNG
(CHEMBL3979343)
Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C27H29N7O4S/c1-5-24(35)33-11-13-34(14-12-33)39(37,38)20-8-6-7-19(16-20)29-27-28-17-23-25(30-27)31(3)22-10-9-18(2)15-21(22)26(36)32(23)4/h5-10,15-17H,1,11-14H2,2-4H3,(H,28,29,30)
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Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay


ACS Med Chem Lett 7: 908-912 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00209
BindingDB Entry DOI: 10.7270/Q27P91B0
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351227
PNG
(CHEMBL1818403)
Show SMILES CCCCCCCNC(=O)Nc1ccc(C)c(Cl)c1
Show InChI InChI=1S/C15H23ClN2O/c1-3-4-5-6-7-10-17-15(19)18-13-9-8-12(2)14(16)11-13/h8-9,11H,3-7,10H2,1-2H3,(H2,17,18,19)
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n/an/a 1.60n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50193014
PNG
(CHEMBL3942643)
Show SMILES CCC(=O)N1CCN(CC1)S(=O)(=O)c1cccc(Nc2ncc3N(C)C(=O)c4cc(C)ccc4N(C)c3n2)c1
Show InChI InChI=1S/C27H31N7O4S/c1-5-24(35)33-11-13-34(14-12-33)39(37,38)20-8-6-7-19(16-20)29-27-28-17-23-25(30-27)31(3)22-10-9-18(2)15-21(22)26(36)32(23)4/h6-10,15-17H,5,11-14H2,1-4H3,(H,28,29,30)
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n/an/a 1.70n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay


ACS Med Chem Lett 7: 908-912 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00209
BindingDB Entry DOI: 10.7270/Q27P91B0
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351221
PNG
(CHEMBL1818409)
Show SMILES CC(CCc1ccccc1)NC(=O)Nc1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C18H18F4N2O/c1-12(10-11-13-6-3-2-4-7-13)23-17(25)24-15-9-5-8-14(16(15)19)18(20,21)22/h2-9,12H,10-11H2,1H3,(H2,23,24,25)
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n/an/a 1.90n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM150175
PNG
(US8980901, 107 | US9149477, Compound 107)
Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay


ACS Med Chem Lett 7: 908-912 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00209
BindingDB Entry DOI: 10.7270/Q27P91B0
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM25732
PNG
(3-adamantan-1-yl-1-cyclohexylurea | CHEMBL242255 |...)
Show SMILES O=C(NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H28N2O/c20-16(18-15-4-2-1-3-5-15)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H2,18,19,20)
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n/an/a 2n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50193017
PNG
(CHEMBL3904942)
Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(N)(=O)=O)nc12
Show InChI InChI=1S/C19H18N6O3S/c1-24-15-9-4-3-8-14(15)18(26)25(2)16-11-21-19(23-17(16)24)22-12-6-5-7-13(10-12)29(20,27)28/h3-11H,1-2H3,(H2,20,27,28)(H,21,22,23)
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n/an/a 2.10n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human Aurora kinase A (E122 to K401 residues) expressed in mammalian expression system by Z'LYTE assay


ACS Med Chem Lett 7: 908-912 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00209
BindingDB Entry DOI: 10.7270/Q27P91B0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50193031
PNG
(CHEMBL3959351)
Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCC(O)CC3)nc12
Show InChI InChI=1S/C25H28N6O4S/c1-16-7-8-21-20(13-16)24(33)30(3)22-15-26-25(28-23(22)29(21)2)27-17-5-4-6-19(14-17)36(34,35)31-11-9-18(32)10-12-31/h4-8,13-15,18,32H,9-12H2,1-3H3,(H,26,27,28)
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n/an/a 2.10n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay


ACS Med Chem Lett 7: 908-912 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00209
BindingDB Entry DOI: 10.7270/Q27P91B0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50193032
PNG
(CHEMBL3979343)
Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C27H29N7O4S/c1-5-24(35)33-11-13-34(14-12-33)39(37,38)20-8-6-7-19(16-20)29-27-28-17-23-25(30-27)31(3)22-10-9-18(2)15-21(22)26(36)32(23)4/h5-10,15-17H,1,11-14H2,2-4H3,(H,28,29,30)
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n/an/a 2.80n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma (S144 to A1102 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay


ACS Med Chem Lett 7: 908-912 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00209
BindingDB Entry DOI: 10.7270/Q27P91B0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50193013
PNG
(DUVELISIB | Duvelisib | INK-1147 | INK-1197 | IPI-...)
Show SMILES C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma (S144 to A1102 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay


ACS Med Chem Lett 7: 908-912 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00209
BindingDB Entry DOI: 10.7270/Q27P91B0
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351220
PNG
(CHEMBL1818410)
Show SMILES Fc1c(NC(=O)NCc2cccc(Cl)c2)cccc1C(F)(F)F
Show InChI InChI=1S/C15H11ClF4N2O/c16-10-4-1-3-9(7-10)8-21-14(23)22-12-6-2-5-11(13(12)17)15(18,19)20/h1-7H,8H2,(H2,21,22,23)
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n/an/a 3.70n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50193017
PNG
(CHEMBL3904942)
Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(N)(=O)=O)nc12
Show InChI InChI=1S/C19H18N6O3S/c1-24-15-9-4-3-8-14(15)18(26)25(2)16-11-21-19(23-17(16)24)22-12-6-5-7-13(10-12)29(20,27)28/h3-11H,1-2H3,(H2,20,27,28)(H,21,22,23)
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n/an/a 4.10n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay


ACS Med Chem Lett 7: 908-912 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00209
BindingDB Entry DOI: 10.7270/Q27P91B0
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50193030
PNG
(CHEMBL3950648)
Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc12
Show InChI InChI=1S/C20H20N6O3S/c1-12-4-9-16-15(10-12)19(27)26(3)17-11-22-20(24-18(17)25(16)2)23-13-5-7-14(8-6-13)30(21,28)29/h4-11H,1-3H3,(H2,21,28,29)(H,22,23,24)
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n/an/a 4.20n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human Aurora kinase B (D25 to A303 residues) expressed in mammalian expression system by Z'LYTE assay


ACS Med Chem Lett 7: 908-912 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00209
BindingDB Entry DOI: 10.7270/Q27P91B0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50193017
PNG
(CHEMBL3904942)
Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(N)(=O)=O)nc12
Show InChI InChI=1S/C19H18N6O3S/c1-24-15-9-4-3-8-14(15)18(26)25(2)16-11-21-19(23-17(16)24)22-12-6-5-7-13(10-12)29(20,27)28/h3-11H,1-2H3,(H2,20,27,28)(H,21,22,23)
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n/an/a 4.30n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma (S144 to A1102 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay


ACS Med Chem Lett 7: 908-912 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00209
BindingDB Entry DOI: 10.7270/Q27P91B0
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351235
PNG
(CHEMBL1818397)
Show SMILES Cc1c(Cl)cccc1NC(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C18H23ClN2O/c1-10-15(19)3-2-4-16(10)20-18(22)21-17-13-6-11-5-12(8-13)9-14(17)7-11/h2-4,11-14,17H,5-9H2,1H3,(H2,20,21,22)
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n/an/a 4.5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351238
PNG
(CHEMBL1818394)
Show SMILES O=C(NCCc1ccccc1)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C19H26N2O/c22-19(20-7-6-13-4-2-1-3-5-13)21-18-16-9-14-8-15(11-16)12-17(18)10-14/h1-5,14-18H,6-12H2,(H2,20,21,22)
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n/an/a 4.5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50193017
PNG
(CHEMBL3904942)
Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(N)(=O)=O)nc12
Show InChI InChI=1S/C19H18N6O3S/c1-24-15-9-4-3-8-14(15)18(26)25(2)16-11-21-19(23-17(16)24)22-12-6-5-7-13(10-12)29(20,27)28/h3-11H,1-2H3,(H2,20,27,28)(H,21,22,23)
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n/an/a 4.60n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human Aurora kinase B (D25 to A303 residues) expressed in mammalian expression system by Z'LYTE assay


ACS Med Chem Lett 7: 908-912 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00209
BindingDB Entry DOI: 10.7270/Q27P91B0
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351219
PNG
(CHEMBL1818411)
Show SMILES Fc1ccc(NC(=S)NC2C3CC4CC(C3)CC2C4)c(F)c1F
Show InChI InChI=1S/C17H19F3N2S/c18-12-1-2-13(15(20)14(12)19)21-17(23)22-16-10-4-8-3-9(6-10)7-11(16)5-8/h1-2,8-11,16H,3-7H2,(H2,21,22,23)
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n/an/a 4.80n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50337135
PNG
(4-((5,11-dimethyl-6-oxo-6,11-dihydro-5H-benzo[e]py...)
Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc12
Show InChI InChI=1S/C19H18N6O3S/c1-24-15-6-4-3-5-14(15)18(26)25(2)16-11-21-19(23-17(16)24)22-12-7-9-13(10-8-12)29(20,27)28/h3-11H,1-2H3,(H2,20,27,28)(H,21,22,23)
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n/an/a 4.80n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human Aurora kinase A (E122 to K401 residues) expressed in mammalian expression system by Z'LYTE assay


ACS Med Chem Lett 7: 908-912 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00209
BindingDB Entry DOI: 10.7270/Q27P91B0
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351231
PNG
(CHEMBL1818400)
Show SMILES CCCCCNC(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C16H28N2O/c1-2-3-4-5-17-16(19)18-15-13-7-11-6-12(9-13)10-14(15)8-11/h11-15H,2-10H2,1H3,(H2,17,18,19)
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n/an/a 6.40n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50193031
PNG
(CHEMBL3959351)
Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCC(O)CC3)nc12
Show InChI InChI=1S/C25H28N6O4S/c1-16-7-8-21-20(13-16)24(33)30(3)22-15-26-25(28-23(22)29(21)2)27-17-5-4-6-19(14-17)36(34,35)31-11-9-18(32)10-12-31/h4-8,13-15,18,32H,9-12H2,1-3H3,(H,26,27,28)
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Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma (S144 to A1102 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay


ACS Med Chem Lett 7: 908-912 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00209
BindingDB Entry DOI: 10.7270/Q27P91B0
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351210
PNG
(CHEMBL1818420)
Show SMILES CC(C)CCOc1ccc(NC(=O)Nc2ccc(OCCC(C)C)cc2)cc1
Show InChI InChI=1S/C23H32N2O3/c1-17(2)13-15-27-21-9-5-19(6-10-21)24-23(26)25-20-7-11-22(12-8-20)28-16-14-18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H2,24,25,26)
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n/an/a 6.5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50193014
PNG
(CHEMBL3942643)
Show SMILES CCC(=O)N1CCN(CC1)S(=O)(=O)c1cccc(Nc2ncc3N(C)C(=O)c4cc(C)ccc4N(C)c3n2)c1
Show InChI InChI=1S/C27H31N7O4S/c1-5-24(35)33-11-13-34(14-12-33)39(37,38)20-8-6-7-19(16-20)29-27-28-17-23-25(30-27)31(3)22-10-9-18(2)15-21(22)26(36)32(23)4/h6-10,15-17H,5,11-14H2,1-4H3,(H,28,29,30)
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n/an/a 11n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma (S144 to A1102 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay


ACS Med Chem Lett 7: 908-912 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00209
BindingDB Entry DOI: 10.7270/Q27P91B0
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351208
PNG
(CHEMBL1818421)
Show SMILES CC(=O)C1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H19F3N2O3/c1-10(22)11-2-4-12(5-3-11)20-15(23)21-13-6-8-14(9-7-13)24-16(17,18)19/h6-9,11-12H,2-5H2,1H3,(H2,20,21,23)
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n/an/a 12n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
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 13n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50337135
PNG
(4-((5,11-dimethyl-6-oxo-6,11-dihydro-5H-benzo[e]py...)
Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc12
Show InChI InChI=1S/C19H18N6O3S/c1-24-15-6-4-3-5-14(15)18(26)25(2)16-11-21-19(23-17(16)24)22-12-7-9-13(10-8-12)29(20,27)28/h3-11H,1-2H3,(H2,20,27,28)(H,21,22,23)
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n/an/a 13n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human Aurora kinase B (D25 to A303 residues) expressed in mammalian expression system by Z'LYTE assay


ACS Med Chem Lett 7: 908-912 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00209
BindingDB Entry DOI: 10.7270/Q27P91B0
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351215
PNG
(CHEMBL1818415)
Show SMILES COc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1
Show InChI InChI=1S/C18H24N2O2/c1-22-16-4-2-15(3-5-16)19-18(21)20-17-13-7-11-6-12(9-13)10-14(17)8-11/h2-5,11-14,17H,6-10H2,1H3,(H2,19,20,21)
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n/an/a 14.3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351236
PNG
(CHEMBL1818396)
Show SMILES O=C(NCc1ccccc1)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C18H24N2O/c21-18(19-11-12-4-2-1-3-5-12)20-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-17H,6-11H2,(H2,19,20,21)
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n/an/a 14.8n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50337135
PNG
(4-((5,11-dimethyl-6-oxo-6,11-dihydro-5H-benzo[e]py...)
Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc12
Show InChI InChI=1S/C19H18N6O3S/c1-24-15-6-4-3-5-14(15)18(26)25(2)16-11-21-19(23-17(16)24)22-12-7-9-13(10-8-12)29(20,27)28/h3-11H,1-2H3,(H2,20,27,28)(H,21,22,23)
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n/an/a 15n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma (S144 to A1102 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay


ACS Med Chem Lett 7: 908-912 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00209
BindingDB Entry DOI: 10.7270/Q27P91B0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50193023
PNG
(CHEMBL3898901)
Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)Nc3ccc(NC(=O)C=C)cc3)nc12
Show InChI InChI=1S/C29H27N7O4S/c1-5-26(37)31-19-10-12-20(13-11-19)34-41(39,40)22-8-6-7-21(16-22)32-29-30-17-25-27(33-29)35(3)24-14-9-18(2)15-23(24)28(38)36(25)4/h5-17,34H,1H2,2-4H3,(H,31,37)(H,30,32,33)
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Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma (S144 to A1102 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay


ACS Med Chem Lett 7: 908-912 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00209
BindingDB Entry DOI: 10.7270/Q27P91B0
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50351224
PNG
(CHEMBL1818406)
Show SMILES CC(CCc1ccccc1)NC(=O)Nc1ccc(C)c(Cl)c1
Show InChI InChI=1S/C18H21ClN2O/c1-13-8-11-16(12-17(13)19)21-18(22)20-14(2)9-10-15-6-4-3-5-7-15/h3-8,11-12,14H,9-10H2,1-2H3,(H2,20,21,22)
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
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