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Compile Data Set for Download or QSAR

Found 211 hits from Colorado State University   
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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50095523
PNG
(CHEMBL285231 | [(S)-2-methyl-1-((S)-2-{(S)-2-methy...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nnc(Cc2cccc(C)c2)o1
Show InChI InChI=1S/C33H41N5O6/c1-20(2)27(29(39)31-37-36-26(44-31)18-24-14-9-11-22(5)17-24)34-30(40)25-15-10-16-38(25)32(41)28(21(3)4)35-33(42)43-19-23-12-7-6-8-13-23/h6-9,11-14,17,20-21,25,27-28H,10,15-16,18-19H2,1-5H3,(H,34,40)(H,35,42)/t25-,27-,28-/m0/s1
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0.0250n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa


J Med Chem 43: 4927-9 (2001)


Article DOI: 10.1021/jm0004087
BindingDB Entry DOI: 10.7270/Q25D8R3S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50095526
PNG
(CHEMBL24058 | [(S)-2-methyl-1-((S)-2-{(S)-2-methyl...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1noc(Cc2cccc(C)c2)n1
Show InChI InChI=1S/C33H41N5O6/c1-20(2)27(29(39)30-34-26(44-37-30)18-24-14-9-11-22(5)17-24)35-31(40)25-15-10-16-38(25)32(41)28(21(3)4)36-33(42)43-19-23-12-7-6-8-13-23/h6-9,11-14,17,20-21,25,27-28H,10,15-16,18-19H2,1-5H3,(H,35,40)(H,36,42)/t25-,27-,28-/m0/s1
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0.490n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa


J Med Chem 43: 4927-9 (2001)


Article DOI: 10.1021/jm0004087
BindingDB Entry DOI: 10.7270/Q25D8R3S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50095530
PNG
((S)-2-(5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1...)
Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)(C)c1ccccc1
Show InChI InChI=1S/C28H29FN6O4/c1-16(2)22(23(37)25-33-34-27(39-25)28(3,4)18-8-6-5-7-9-18)32-21(36)15-35-24(31-14-20(30)26(35)38)17-10-12-19(29)13-11-17/h5-14,16,22H,15,30H2,1-4H3,(H,32,36)/t22-/m0/s1
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0.520n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa


J Med Chem 43: 4927-9 (2001)


Article DOI: 10.1021/jm0004087
BindingDB Entry DOI: 10.7270/Q25D8R3S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50095521
PNG
((S)-2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimi...)
Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(Cc2cccc(C)c2)o1
Show InChI InChI=1S/C27H27FN6O4/c1-15(2)23(24(36)26-33-32-22(38-26)12-17-6-4-5-16(3)11-17)31-21(35)14-34-25(30-13-20(29)27(34)37)18-7-9-19(28)10-8-18/h4-11,13,15,23H,12,14,29H2,1-3H3,(H,31,35)/t23-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa


J Med Chem 43: 4927-9 (2001)


Article DOI: 10.1021/jm0004087
BindingDB Entry DOI: 10.7270/Q25D8R3S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50095519
PNG
((S)-2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimi...)
Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)(C)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H29FN6O6/c1-15(2)23(33-22(37)13-36-25(32-12-19(31)27(36)39)16-5-8-18(30)9-6-16)24(38)26-34-35-28(42-26)29(3,4)17-7-10-20-21(11-17)41-14-40-20/h5-12,15,23H,13-14,31H2,1-4H3,(H,33,37)/t23-/m0/s1
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1.18n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa


J Med Chem 43: 4927-9 (2001)


Article DOI: 10.1021/jm0004087
BindingDB Entry DOI: 10.7270/Q25D8R3S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50095525
PNG
((S)-2-(5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1...)
Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)(C)c1cccc(C)c1
Show InChI InChI=1S/C29H31FN6O4/c1-16(2)23(24(38)26-34-35-28(40-26)29(4,5)19-8-6-7-17(3)13-19)33-22(37)15-36-25(32-14-21(31)27(36)39)18-9-11-20(30)12-10-18/h6-14,16,23H,15,31H2,1-5H3,(H,33,37)/t23-/m0/s1
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1.37n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa


J Med Chem 43: 4927-9 (2001)


Article DOI: 10.1021/jm0004087
BindingDB Entry DOI: 10.7270/Q25D8R3S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50095527
PNG
((S)-2-(5-Amino-6-oxo-2-phenyl-6H-pyrimidin-1-yl)-N...)
Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccccc1)C(=O)c1nnc(o1)C(C)(C)C
Show InChI InChI=1S/C23H28N6O4/c1-13(2)17(18(31)20-27-28-22(33-20)23(3,4)5)26-16(30)12-29-19(14-9-7-6-8-10-14)25-11-15(24)21(29)32/h6-11,13,17H,12,24H2,1-5H3,(H,26,30)/t17-/m0/s1
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3.59n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa


J Med Chem 43: 4927-9 (2001)


Article DOI: 10.1021/jm0004087
BindingDB Entry DOI: 10.7270/Q25D8R3S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50095520
PNG
((S)-2-(5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1...)
Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)(C)C
Show InChI InChI=1S/C23H27FN6O4/c1-12(2)17(18(32)20-28-29-22(34-20)23(3,4)5)27-16(31)11-30-19(26-10-15(25)21(30)33)13-6-8-14(24)9-7-13/h6-10,12,17H,11,25H2,1-5H3,(H,27,31)/t17-/m0/s1
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6.38n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa


J Med Chem 43: 4927-9 (2001)


Article DOI: 10.1021/jm0004087
BindingDB Entry DOI: 10.7270/Q25D8R3S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50095529
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)(C)C
Show InChI InChI=1S/C23H27FN6O4/c1-12(2)17(18(32)20-28-29-22(34-20)23(3,4)5)27-16(31)11-30-19(26-10-15(25)21(30)33)13-6-8-14(24)9-7-13/h6-10,12,17H,11,25H2,1-5H3,(H,27,31)
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11.8n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa


J Med Chem 43: 4927-9 (2001)


Article DOI: 10.1021/jm0004087
BindingDB Entry DOI: 10.7270/Q25D8R3S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50095522
PNG
(2-(5-Amino-6-oxo-2-phenyl-6H-pyrimidin-1-yl)-N-[1-...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(N)c1=O)-c1ccccc1)C(=O)c1nnc(o1)C(C)(C)C
Show InChI InChI=1S/C23H28N6O4/c1-13(2)17(18(31)20-27-28-22(33-20)23(3,4)5)26-16(30)12-29-19(14-9-7-6-8-10-14)25-11-15(24)21(29)32/h6-11,13,17H,12,24H2,1-5H3,(H,26,30)
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12.2n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa


J Med Chem 43: 4927-9 (2001)


Article DOI: 10.1021/jm0004087
BindingDB Entry DOI: 10.7270/Q25D8R3S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50095524
PNG
((S)-2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimi...)
Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C1(C)CC1
Show InChI InChI=1S/C23H25FN6O4/c1-12(2)17(18(32)20-28-29-22(34-20)23(3)8-9-23)27-16(31)11-30-19(26-10-15(25)21(30)33)13-4-6-14(24)7-5-13/h4-7,10,12,17H,8-9,11,25H2,1-3H3,(H,27,31)/t17-/m0/s1
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15.3n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa


J Med Chem 43: 4927-9 (2001)


Article DOI: 10.1021/jm0004087
BindingDB Entry DOI: 10.7270/Q25D8R3S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50095528
PNG
(2-(5-Amino-6-oxo-2-phenyl-6H-pyrimidin-1-yl)-N-[1-...)
Show SMILES CC(C)[C@@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccccc1)C(=O)c1nnc(o1)C(C)(C)C
Show InChI InChI=1S/C23H28N6O4/c1-13(2)17(18(31)20-27-28-22(33-20)23(3,4)5)26-16(30)12-29-19(14-9-7-6-8-10-14)25-11-15(24)21(29)32/h6-11,13,17H,12,24H2,1-5H3,(H,26,30)/t17-/m1/s1
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29.1n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa


J Med Chem 43: 4927-9 (2001)


Article DOI: 10.1021/jm0004087
BindingDB Entry DOI: 10.7270/Q25D8R3S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50095518
PNG
((S)-N-[1-(5-tert-Butyl-[1,3,4]oxadiazole-2-carbony...)
Show SMILES CC(C)[C@H](NC(=O)Cn1c(nccc1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)(C)C
Show InChI InChI=1S/C23H26FN5O4/c1-13(2)18(19(32)21-27-28-22(33-21)23(3,4)5)26-16(30)12-29-17(31)10-11-25-20(29)14-6-8-15(24)9-7-14/h6-11,13,18H,12H2,1-5H3,(H,26,30)/t18-/m0/s1
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44.3n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa


J Med Chem 43: 4927-9 (2001)


Article DOI: 10.1021/jm0004087
BindingDB Entry DOI: 10.7270/Q25D8R3S
More data for this
Ligand-Target Pair
Casein Kinase II


(Homo sapiens (human))
BDBM50156669
PNG
(4,5,6,7-TETRABROMO-BENZIMIDAZOLE | 4,5,6,7-tetrabr...)
Show SMILES Brc1c(Br)c(Br)c2[nH]cnc2c1Br
Show InChI InChI=1S/C7H2Br4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
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45n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human wild type CK2alpha


J Med Chem 59: 1655-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00997
BindingDB Entry DOI: 10.7270/Q24T6M70
More data for this
Ligand-Target Pair
Casein Kinase II


(Homo sapiens (human))
BDBM50156368
PNG
(CHEMBL608394)
Show SMILES Brc1c(Br)c(Br)c2[nH]c(=S)[nH]c2c1Br
Show InChI InChI=1S/C7H2Br4N2S/c8-1-2(9)4(11)6-5(3(1)10)12-7(14)13-6/h(H2,12,13,14)
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70n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human wild type CK2alpha


J Med Chem 59: 1655-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00997
BindingDB Entry DOI: 10.7270/Q24T6M70
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036093
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C18H18F4N4O3/c1-9(2)14(15(28)18(20,21)22)25-13(27)8-26-16(24-7-12(23)17(26)29)10-3-5-11(19)6-4-10/h3-7,9,14H,8,23H2,1-2H3,(H,25,27)
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101n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa


J Med Chem 43: 4927-9 (2001)


Article DOI: 10.1021/jm0004087
BindingDB Entry DOI: 10.7270/Q25D8R3S
More data for this
Ligand-Target Pair
Casein Kinase II


(Homo sapiens (human))
BDBM50156367
PNG
(CHEMBL3793598)
Show SMILES CS(=O)(=O)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
Show InChI InChI=1S/C8H4Br4N2O2S/c1-17(15,16)8-13-6-4(11)2(9)3(10)5(12)7(6)14-8/h1H3,(H,13,14)
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150n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Competitive inhibition of human wild type CK2alpha by Dixon plot analysis


J Med Chem 59: 1655-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00997
BindingDB Entry DOI: 10.7270/Q24T6M70
More data for this
Ligand-Target Pair
Casein Kinase II


(Homo sapiens (human))
BDBM34045
PNG
(iodinated benzimidazole, 8a)
Show SMILES Cc1nc2c(I)c(Cl)c(Cl)c(I)c2[nH]1
Show InChI InChI=1S/C8H4Cl2I2N2/c1-2-13-7-5(11)3(9)4(10)6(12)8(7)14-2/h1H3,(H,13,14)
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200n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Competitive inhibition of human wild type CK2alpha by Dixon plot analysis


J Med Chem 59: 1655-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00997
BindingDB Entry DOI: 10.7270/Q24T6M70
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50041292
PNG
((S)-1-((S)-2-Acetylamino-propionyl)-pyrrolidine-2-...)
Show SMILES CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(C)=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C16H24F3N3O4/c1-8(2)12(13(24)16(17,18)19)21-14(25)11-6-5-7-22(11)15(26)9(3)20-10(4)23/h8-9,11-12H,5-7H2,1-4H3,(H,20,23)(H,21,25)/t9-,11-,12?/m0/s1
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210n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibitory activity against human neutrophil elastase


J Med Chem 43: 4927-9 (2001)


Article DOI: 10.1021/jm0004087
BindingDB Entry DOI: 10.7270/Q25D8R3S
More data for this
Ligand-Target Pair
Casein Kinase II


(Homo sapiens (human))
BDBM34041
PNG
(iodinated benzimidazole, 4a)
Show SMILES Clc1c(Cl)c(I)c2[nH]cnc2c1I
Show InChI InChI=1S/C7H2Cl2I2N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
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300n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Competitive inhibition of human wild type CK2alpha by Dixon plot analysis


J Med Chem 59: 1655-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00997
BindingDB Entry DOI: 10.7270/Q24T6M70
More data for this
Ligand-Target Pair
Casein Kinase II


(Homo sapiens (human))
BDBM50156369
PNG
(CHEMBL227370)
Show SMILES FC(F)(F)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
Show InChI InChI=1S/C8HBr4F3N2/c9-1-2(10)4(12)6-5(3(1)11)16-7(17-6)8(13,14)15/h(H,16,17)
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400n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of CK2alpha (unknown origin)


J Med Chem 59: 1655-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00997
BindingDB Entry DOI: 10.7270/Q24T6M70
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50194500
PNG
(1-adamantan-1-yl-3-[4-(4-fluoro-phenoxy)-cyclohexy...)
Show SMILES Fc1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C23H31FN2O2/c24-18-1-5-20(6-2-18)28-21-7-3-19(4-8-21)25-22(27)26-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H2,25,26,27)/t15?,16?,17?,19-,21+,23?
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Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
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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Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50217458
PNG
(CHEMBL244192 | cis-1-adamantan-1-yl-3-[4-(4-methox...)
Show SMILES COc1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C24H34N2O3/c1-28-20-6-8-22(9-7-20)29-21-4-2-19(3-5-21)25-23(27)26-24-13-16-10-17(14-24)12-18(11-16)15-24/h6-9,16-19,21H,2-5,10-15H2,1H3,(H2,25,26,27)/t16?,17?,18?,19-,21+,24?
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Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50217459
PNG
(CHEMBL243335 | trans-1-adamantan-1-yl-3-[4-(4-fluo...)
Show SMILES Fc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C23H31FN2O2/c24-18-1-5-20(6-2-18)28-21-7-3-19(4-8-21)25-22(27)26-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H2,25,26,27)/t15?,16?,17?,19-,21-,23?
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Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50383471
PNG
(CHEMBL2031812)
Show SMILES O=C(Nc1ccc(Oc2ccccc2)cc1)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H26N2O2/c26-22(25-23-13-16-10-17(14-23)12-18(11-16)15-23)24-19-6-8-21(9-7-19)27-20-4-2-1-3-5-20/h1-9,16-18H,10-15H2,(H2,24,25,26)
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Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50383462
PNG
(CHEMBL2031797)
Show SMILES Ic1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C17H21IN2O/c18-14-1-3-15(4-2-14)19-16(21)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H2,19,20,21)
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Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50383517
PNG
(CHEMBL2032045)
Show SMILES Clc1cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1OCCN1CCOCC1
Show InChI InChI=1S/C23H32ClN3O3/c24-20-12-19(1-2-21(20)30-8-5-27-3-6-29-7-4-27)25-22(28)26-23-13-16-9-17(14-23)11-18(10-16)15-23/h1-2,12,16-18H,3-11,13-15H2,(H2,25,26,28)
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Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50217451
PNG
(CHEMBL427695 | trans-1-adamantan-1-yl-3-[4-(4-meth...)
Show SMILES COc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C24H34N2O3/c1-28-20-6-8-22(9-7-20)29-21-4-2-19(3-5-21)25-23(27)26-24-13-16-10-17(14-24)12-18(11-16)15-24/h6-9,16-19,21H,2-5,10-15H2,1H3,(H2,25,26,27)/t16?,17?,18?,19-,21-,24?
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Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50383482
PNG
(CHEMBL2031930)
Show SMILES CCOC(=O)C(F)(F)Oc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C21H26F2N2O4/c1-2-28-18(26)21(22,23)29-17-5-3-16(4-6-17)24-19(27)25-20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15H,2,7-12H2,1H3,(H2,24,25,27)
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Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50383484
PNG
(CHEMBL2031931 | US8815951, 343)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C14H17F3N2O2/c15-14(16,17)21-12-8-6-11(7-9-12)19-13(20)18-10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,18,19,20)
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Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50383470
PNG
(CHEMBL2031808)
Show SMILES CCOC(=O)COc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C21H28N2O4/c1-2-26-19(24)13-27-18-5-3-17(4-6-18)22-20(25)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,2,7-13H2,1H3,(H2,22,23,25)
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Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50196661
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid butyl...)
Show SMILES CCCCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C27H48N2O3/c1-2-3-15-32-25(30)13-11-9-7-5-4-6-8-10-12-14-28-26(31)29-27-19-22-16-23(20-27)18-24(17-22)21-27/h22-24H,2-21H2,1H3,(H2,28,29,31)
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Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50383473
PNG
(CHEMBL2031816)
Show SMILES O=C(Nc1cccc(Oc2ccccc2)c1)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H26N2O2/c26-22(25-23-13-16-9-17(14-23)11-18(10-16)15-23)24-19-5-4-8-21(12-19)27-20-6-2-1-3-7-20/h1-8,12,16-18H,9-11,13-15H2,(H2,24,25,26)
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Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50383476
PNG
(CHEMBL2031923 | US8815951, 438)
Show SMILES O=C(NCCCc1ccccc1)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H28N2O/c23-19(21-8-4-7-15-5-2-1-3-6-15)22-20-12-16-9-17(13-20)11-18(10-16)14-20/h1-3,5-6,16-18H,4,7-14H2,(H2,21,22,23)
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Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50383503
PNG
(CHEMBL2031950)
Show SMILES O=C(N[C@H]1CC[C@@H](CC1)OC(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H32N2O3/c27-22(19-4-2-1-3-5-19)29-21-8-6-20(7-9-21)25-23(28)26-24-13-16-10-17(14-24)12-18(11-16)15-24/h1-5,16-18,20-21H,6-15H2,(H2,25,26,28)/t16?,17?,18?,20-,21-,24?
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Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50217470
PNG
(CHEMBL395988 | trans-1-adamantan-1-yl-3-(4-benzylo...)
Show SMILES O=C(N[C@H]1CC[C@@H](CC1)OCc1ccccc1)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H34N2O2/c27-23(26-24-13-18-10-19(14-24)12-20(11-18)15-24)25-21-6-8-22(9-7-21)28-16-17-4-2-1-3-5-17/h1-5,18-22H,6-16H2,(H2,25,26,27)/t18?,19?,20?,21-,22-,24?
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Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50383479
PNG
(CHEMBL2031927 | US8815951, 180)
Show SMILES CC(C)c1ccc(NC(=O)NCC2CCCCC2)cc1
Show InChI InChI=1S/C17H26N2O/c1-13(2)15-8-10-16(11-9-15)19-17(20)18-12-14-6-4-3-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3,(H2,18,19,20)
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Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50217460
PNG
(CHEMBL243125 | trans-1-adamantan-1-yl-3-[4-(4-brom...)
Show SMILES Brc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C23H31BrN2O2/c24-18-1-5-20(6-2-18)28-21-7-3-19(4-8-21)25-22(27)26-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H2,25,26,27)/t15?,16?,17?,19-,21-,23?
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Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50223391
PNG
(1-Adamantan-1-yl-3-{3-[2-(2-ethoxy-ethoxy)-ethoxy]...)
Show SMILES CCOCCOCCOc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1
Show InChI InChI=1S/C23H34N2O4/c1-2-27-6-7-28-8-9-29-21-5-3-4-20(13-21)24-22(26)25-23-14-17-10-18(15-23)12-19(11-17)16-23/h3-5,13,17-19H,2,6-12,14-16H2,1H3,(H2,24,25,26)
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Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50383478
PNG
(CHEMBL2031926)
Show SMILES CCCCCO[C@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H38N2O2/c1-2-3-4-9-26-20-7-5-19(6-8-20)23-21(25)24-22-13-16-10-17(14-22)12-18(11-16)15-22/h16-20H,2-15H2,1H3,(H2,23,24,25)/t16?,17?,18?,19-,20-,22?
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n/an/a 1.20n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50383494
PNG
(CHEMBL2031941)
Show SMILES CCOCCOCCOCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H42N2O4/c1-2-27-9-10-29-12-11-28-8-6-4-3-5-7-24-22(26)25-23-16-19-13-20(17-23)15-21(14-19)18-23/h19-21H,2-18H2,1H3,(H2,24,25,26)
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Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50383469
PNG
(CHEMBL2031807)
Show SMILES CC(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1
Show InChI InChI=1S/C19H24N2O2/c1-12(22)16-3-2-4-17(8-16)20-18(23)21-19-9-13-5-14(10-19)7-15(6-13)11-19/h2-4,8,13-15H,5-7,9-11H2,1H3,(H2,20,21,23)
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n/an/a 1.30n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50383510
PNG
(CHEMBL2031951)
Show SMILES C=CCO[C@@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H32N2O2/c1-2-7-24-18-5-3-17(4-6-18)21-19(23)22-20-11-14-8-15(12-20)10-16(9-14)13-20/h2,14-18H,1,3-13H2,(H2,21,22,23)/t14?,15?,16?,17-,18+,20?
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Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50217454
PNG
(CHEMBL395738 | cis-1-adamantan-1-yl-3-[4-(2,6-difl...)
Show SMILES Fc1cccc(F)c1CO[C@@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H32F2N2O2/c25-21-2-1-3-22(26)20(21)14-30-19-6-4-18(5-7-19)27-23(29)28-24-11-15-8-16(12-24)10-17(9-15)13-24/h1-3,15-19H,4-14H2,(H2,27,28,29)/t15?,16?,17?,18-,19+,24?
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n/an/a 1.40n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50217448
PNG
(CHEMBL242459 | US9029401, 1471 (t-AUCB) | trans-4-...)
Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)/t15?,16?,17?,19-,21-,24?
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Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epoxide hydratase


(Homo sapiens (Human))
BDBM50383504
PNG
(CHEMBL2031802)
Show SMILES FC(F)C(F)(F)Oc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1
Show InChI InChI=1S/C19H22F4N2O2/c20-16(21)19(22,23)27-15-3-1-2-14(7-15)24-17(26)25-18-8-11-4-12(9-18)6-13(5-11)10-18/h1-3,7,11-13,16H,4-6,8-10H2,(H2,24,25,26)
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Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50383472
PNG
(CHEMBL2031814)
Show SMILES O=C(Nc1ccc(cc1)C(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H26N2O2/c27-22(19-4-2-1-3-5-19)20-6-8-21(9-7-20)25-23(28)26-24-13-16-10-17(14-24)12-18(11-16)15-24/h1-9,16-18H,10-15H2,(H2,25,26,28)
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n/an/a 1.60n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50383467
PNG
(CHEMBL2031803)
Show SMILES CSc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C18H24N2OS/c1-22-16-4-2-15(3-5-16)19-17(21)20-18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14H,6-11H2,1H3,(H2,19,20,21)
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Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50383477
PNG
(CHEMBL2031924)
Show SMILES CCOC(=O)c1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C26H36N2O4/c1-2-31-24(29)20-3-7-22(8-4-20)32-23-9-5-21(6-10-23)27-25(30)28-26-14-17-11-18(15-26)13-19(12-17)16-26/h3-4,7-8,17-19,21,23H,2,5-6,9-16H2,1H3,(H2,27,28,30)/t17?,18?,19?,21-,23+,26?
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Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
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