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Compile Data Set for Download or QSAR

Found 391 hits with Last Name = 'lee' and Initial = 'ks'   
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
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50368449
PNG
(CHEMBL610435)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCS([O-])(=O)=O)ncnc12 |r|
Show InChI InChI=1S/C12H17N5O7S/c18-3-6-8(19)9(20)12(24-6)17-5-16-7-10(14-4-15-11(7)17)13-1-2-25(21,22)23/h4-6,8-9,12,18-20H,1-3H2,(H,13,14,15)(H,21,22,23)/p-1/t6-,8-,9-,12?/m1/s1
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0n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL




J Med Chem 35: 4143-9 (1992)


BindingDB Entry DOI: 10.7270/Q2XG9RSN
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50100535
PNG
(CHEMBL3327073)
Show SMILES CCC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C20H24F7N3O2/c1-3-12(2)16(31)30-10-8-15(9-11-30)29-17(32)28-14-6-4-13(5-7-14)18(21,19(22,23)24)20(25,26)27/h4-7,12,15H,3,8-11H2,1-2H3,(H2,28,29,32)
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0.0200n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50100528
PNG
(CHEMBL3327081)
Show SMILES FC(F)(F)CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H17F10N3O2/c19-15(20,21)9-13(32)31-7-5-12(6-8-31)30-14(33)29-11-3-1-10(2-4-11)16(22,17(23,24)25)18(26,27)28/h1-4,12H,5-9H2,(H2,29,30,33)
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<0.0200n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111728
PNG
(4-Fluoro-2-({1-[((R)-1-formyl-4-guanidino-butylcar...)
Show SMILES COC(=O)c1ccc(F)cc1CS(=O)(=O)Nc1ccc(C)n(CC(=O)N[C@H](CCCNC(N)=N)C(O)=O)c1=O
Show InChI InChI=1S/C23H29FN6O8S/c1-13-5-8-17(29-39(36,37)12-14-10-15(24)6-7-16(14)22(35)38-2)20(32)30(13)11-19(31)28-18(21(33)34)4-3-9-27-23(25)26/h5-8,10,18,29H,3-4,9,11-12H2,1-2H3,(H,28,31)(H,33,34)(H4,25,26,27)/t18-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111741
PNG
(CHEMBL19666 | N-(5-Carbamimidoyl-thiophen-2-ylmeth...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(s1)C(N)=N
Show InChI InChI=1S/C21H23N5O4S2/c1-14-7-9-17(25-32(29,30)13-15-5-3-2-4-6-15)21(28)26(14)12-19(27)24-11-16-8-10-18(31-16)20(22)23/h2-10,25H,11-13H2,1H3,(H3,22,23)(H,24,27)
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0.100n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111729
PNG
(CHEMBL277695 | N-(5-Carbamimidoyl-thiophen-2-ylmet...)
Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(s1)C(N)=N
Show InChI InChI=1S/C21H24N6O2S/c1-14-11-26-20(24-10-9-15-5-3-2-4-6-15)21(29)27(14)13-18(28)25-12-16-7-8-17(30-16)19(22)23/h2-8,11H,9-10,12-13H2,1H3,(H3,22,23)(H,24,26)(H,25,28)
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0.120n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111730
PNG
(2-[3-(2-Fluoro-phenylmethanesulfonylamino)-6-methy...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2F)c(=O)n1CC(=O)N[C@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C21H27FN6O6S/c1-13-8-9-16(27-35(33,34)12-14-5-2-3-6-15(14)22)19(30)28(13)11-18(29)26-17(20(31)32)7-4-10-25-21(23)24/h2-3,5-6,8-9,17,27H,4,7,10-12H2,1H3,(H,26,29)(H,31,32)(H4,23,24,25)/t17-/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50100521
PNG
(CHEMBL3327078)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1/C18H24F3N3O3/c1-3-12(2)16(25)24-10-8-14(9-11-24)23-17(26)22-13-4-6-15(7-5-13)27-18(19,20)21/h4-7,12,14H,3,8-11H2,1-2H3,(H2,22,23,26)/t12-/s2
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0.190n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50100519
PNG
(CHEMBL3327067)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1/C18H24F3N3O2/c1-3-12(2)16(25)24-10-8-15(9-11-24)23-17(26)22-14-6-4-13(5-7-14)18(19,20)21/h4-7,12,15H,3,8-11H2,1-2H3,(H2,22,23,26)/t12-/s2
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0.220n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50100531
PNG
(CHEMBL3325465)
Show SMILES CCC(C)C(=O)N1CCC(CC1)NC(=O)N[C@H]1CC[C@H](CC)CC1 |r,wU:16.16,wD:19.20,(21.72,-50.53,;20.39,-49.76,;20.39,-48.22,;19.05,-47.45,;21.72,-47.45,;21.72,-45.91,;23.06,-48.22,;24.38,-47.45,;25.72,-48.22,;25.72,-49.76,;24.38,-50.53,;23.06,-49.76,;27.06,-50.53,;28.39,-49.76,;29.72,-50.53,;28.39,-48.22,;29.72,-47.45,;29.72,-45.91,;31.06,-45.14,;32.39,-45.91,;33.72,-45.14,;35.06,-45.91,;32.39,-47.45,;31.06,-48.22,)|
Show InChI InChI=1/C19H35N3O2/c1-4-14(3)18(23)22-12-10-17(11-13-22)21-19(24)20-16-8-6-15(5-2)7-9-16/h14-17H,4-13H2,1-3H3,(H2,20,21,24)/t14?,15-,16-
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0.230n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50100520
PNG
(CHEMBL3327077)
Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C17H22F3N3O3/c1-11(2)15(24)23-9-7-13(8-10-23)22-16(25)21-12-3-5-14(6-4-12)26-17(18,19)20/h3-6,11,13H,7-10H2,1-2H3,(H2,21,22,25)
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0.310n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50100534
PNG
(CHEMBL3327074)
Show SMILES CCC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C18H24F3N3O3/c1-3-12(2)16(25)24-10-8-14(9-11-24)23-17(26)22-13-4-6-15(7-5-13)27-18(19,20)21/h4-7,12,14H,3,8-11H2,1-2H3,(H2,22,23,26)
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0.360n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111724
PNG
(CHEMBL19731 | N-(4-Carbamimidoyl-benzyl)-2-(6-meth...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C23H25N5O4S/c1-16-7-12-20(27-33(31,32)15-18-5-3-2-4-6-18)23(30)28(16)14-21(29)26-13-17-8-10-19(11-9-17)22(24)25/h2-12,27H,13-15H2,1H3,(H3,24,25)(H,26,29)
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0.370n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50100541
PNG
(CHEMBL3327066)
Show SMILES CCC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C18H24F3N3O2/c1-3-12(2)16(25)24-10-8-15(9-11-24)23-17(26)22-14-6-4-13(5-7-14)18(19,20)21/h4-7,12,15H,3,8-11H2,1-2H3,(H2,22,23,26)
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0.370n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50100539
PNG
(CHEMBL3327069)
Show SMILES FC(F)(F)CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H17F6N3O2/c17-15(18,19)9-13(26)25-7-5-12(6-8-25)24-14(27)23-11-3-1-10(2-4-11)16(20,21)22/h1-4,12H,5-9H2,(H2,23,24,27)
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0.430n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50100522
PNG
(CHEMBL3327087)
Show SMILES CCCCS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C17H24F3N3O4S/c1-2-3-12-28(25,26)23-10-8-14(9-11-23)22-16(24)21-13-4-6-15(7-5-13)27-17(18,19)20/h4-7,14H,2-3,8-12H2,1H3,(H2,21,22,24)
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0.440n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50100540
PNG
(CHEMBL3327068)
Show SMILES CC(C)CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H24F3N3O2/c1-12(2)11-16(25)24-9-7-15(8-10-24)23-17(26)22-14-5-3-13(4-6-14)18(19,20)21/h3-6,12,15H,7-11H2,1-2H3,(H2,22,23,26)
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0.490n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50100542
PNG
(CHEMBL3327065)
Show SMILES FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)cc1
Show InChI InChI=1S/C17H20F3N3O2/c18-17(19,20)12-3-5-13(6-4-12)21-16(25)22-14-7-9-23(10-8-14)15(24)11-1-2-11/h3-6,11,14H,1-2,7-10H2,(H2,21,22,25)
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0.490n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50327846
PNG
(1-(1-(Cyclopropanecarbonyl)piperidin-4-yl)-3-(4-(t...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)cc1
Show InChI InChI=1S/C17H20F3N3O3/c18-17(19,20)26-14-5-3-12(4-6-14)21-16(25)22-13-7-9-23(10-8-13)15(24)11-1-2-11/h3-6,11,13H,1-2,7-10H2,(H2,21,22,25)
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0.550n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111717
PNG
(2-[3-(2-Fluoro-phenylmethanesulfonylamino)-2-oxo-2...)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)Cn1cccc(NS(=O)(=O)Cc2ccccc2F)c1=O)C(O)=O
Show InChI InChI=1S/C20H25FN6O6S/c21-14-6-2-1-5-13(14)12-34(32,33)26-15-8-4-10-27(18(15)29)11-17(28)25-16(19(30)31)7-3-9-24-20(22)23/h1-2,4-6,8,10,16,26H,3,7,9,11-12H2,(H,25,28)(H,30,31)(H4,22,23,24)/t16-/m1/s1
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0.560n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111726
PNG
(CHEMBL19359 | N-(4-Carbamimidoyl-benzyl)-2-(6-meth...)
Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C23H26N6O2/c1-16-13-28-22(26-12-11-17-5-3-2-4-6-17)23(31)29(16)15-20(30)27-14-18-7-9-19(10-8-18)21(24)25/h2-10,13H,11-12,14-15H2,1H3,(H3,24,25)(H,26,28)(H,27,30)
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0.570n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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0.590n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of [3H]PIA binding to rat cortical adenosine A1 receptor


J Med Chem 35: 4143-9 (1992)


BindingDB Entry DOI: 10.7270/Q2XG9RSN
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50100518
PNG
(CHEMBL3327064)
Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H22F3N3O2/c1-11(2)15(24)23-9-7-14(8-10-23)22-16(25)21-13-5-3-12(4-6-13)17(18,19)20/h3-6,11,14H,7-10H2,1-2H3,(H2,21,22,25)
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0.660n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50067796
PNG
(CHEMBL11157 | L-374087 | N-((6-amino-2-methylpyrid...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H25N5O4S/c1-15-8-10-19(26-32(30,31)14-17-6-4-3-5-7-17)22(29)27(15)13-21(28)24-12-18-9-11-20(23)25-16(18)2/h3-11,26H,12-14H2,1-2H3,(H2,23,25)(H,24,28)
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0.680n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50367265
PNG
(BDBM50396917 | CHEMBL1512545 | CHEMBL603401)
Show SMILES NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1 |r|
Show InChI InChI=1S/C28H32N8O6/c29-9-10-30-21(38)11-16-1-5-18(6-2-16)34-22(39)12-17-3-7-19(8-4-17)35-26-23-27(32-14-31-26)36(15-33-23)28-25(41)24(40)20(13-37)42-28/h1-8,14-15,20,24-25,28,37,40-41H,9-13,29H2,(H,30,38)(H,34,39)(H,31,32,35)/t20-,24-,25-,28?/m1/s1
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0.850n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of [3H]PIA binding to rat cortical adenosine A1 receptor


J Med Chem 35: 4143-9 (1992)


BindingDB Entry DOI: 10.7270/Q2XG9RSN
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50327809
PNG
(1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)
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0.910n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epoxide hydratase


(Homo sapiens (Human))
BDBM50100523
PNG
(CHEMBL3327086)
Show SMILES CCCCS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H24F3N3O3S/c1-2-3-12-27(25,26)23-10-8-15(9-11-23)22-16(24)21-14-6-4-13(5-7-14)17(18,19)20/h4-7,15H,2-3,8-12H2,1H3,(H2,21,22,24)
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0.980n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50100532
PNG
(CHEMBL3327076)
Show SMILES CCC(C)C(=O)N1CCC(CC1)NC(=O)NC1CCCCCC1
Show InChI InChI=1/C18H33N3O2/c1-3-14(2)17(22)21-12-10-16(11-13-21)20-18(23)19-15-8-6-4-5-7-9-15/h14-16H,3-13H2,1-2H3,(H2,19,20,23)
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0.990n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111739
PNG
(CHEMBL19811 | N-((S)-2-Amino-1,4,5,6-tetrahydro-py...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC[C@@H]1CNC(N)=NC1 |c:30|
Show InChI InChI=1S/C20H26N6O4S/c1-14-7-8-17(25-31(29,30)13-15-5-3-2-4-6-15)19(28)26(14)12-18(27)22-9-16-10-23-20(21)24-11-16/h2-8,16,25H,9-13H2,1H3,(H,22,27)(H3,21,23,24)
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1n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50067797
PNG
(CHEMBL19080 | L-37378 | N-(6-Amino-2-methyl-pyridi...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O
Show InChI InChI=1S/C22H26N6O2/c1-15-12-26-21(24-11-10-17-6-4-3-5-7-17)22(30)28(15)14-20(29)25-13-18-8-9-19(23)27-16(18)2/h3-9,12H,10-11,13-14H2,1-2H3,(H2,23,27)(H,24,26)(H,25,29)
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1n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111738
PNG
(CHEMBL274968 | N-((4R,5S)-2-Amino-4-methyl-1,4,5,6...)
Show SMILES C[C@H]1N=C(N)NC[C@H]1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O |t:2|
Show InChI InChI=1S/C21H28N6O4S/c1-14-8-9-18(26-32(30,31)13-16-6-4-3-5-7-16)20(29)27(14)12-19(28)23-10-17-11-24-21(22)25-15(17)2/h3-9,15,17,26H,10-13H2,1-2H3,(H,23,28)(H3,22,24,25)/t15-,17-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50100537
PNG
(CHEMBL3327071)
Show SMILES CCC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(C)C
Show InChI InChI=1/C20H31N3O2/c1-5-15(4)19(24)23-12-10-18(11-13-23)22-20(25)21-17-8-6-16(7-9-17)14(2)3/h6-9,14-15,18H,5,10-13H2,1-4H3,(H2,21,22,25)
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1.20n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50100533
PNG
(CHEMBL3327075)
Show SMILES CCC(C)C(=O)N1CCC(CC1)NC(=O)NC1CCCCC1
Show InChI InChI=1/C17H31N3O2/c1-3-13(2)16(21)20-11-9-15(10-12-20)19-17(22)18-14-7-5-4-6-8-14/h13-15H,3-12H2,1-2H3,(H2,18,19,22)
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1.20n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50100525
PNG
(CHEMBL3327084)
Show SMILES FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)S(=O)(=O)C2CC2)cc1
Show InChI InChI=1S/C16H20F3N3O3S/c17-16(18,19)11-1-3-12(4-2-11)20-15(23)21-13-7-9-22(10-8-13)26(24,25)14-5-6-14/h1-4,13-14H,5-10H2,(H2,20,21,23)
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1.20n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335967
PNG
(1-(1-(isopropylsulfonyl)piperidin-4-yl)-3-(4-(trif...)
Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H22F3N3O3S/c1-11(2)26(24,25)22-9-7-14(8-10-22)21-15(23)20-13-5-3-12(4-6-13)16(17,18)19/h3-6,11,14H,7-10H2,1-2H3,(H2,20,21,23)
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1.20n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50100538
PNG
(CHEMBL3327070)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H19F6N3O2/c18-16(19,20)8-5-14(27)26-9-6-13(7-10-26)25-15(28)24-12-3-1-11(2-4-12)17(21,22)23/h1-4,13H,5-10H2,(H2,24,25,28)
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1.20n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50455770
PNG
(CHEMBL2092973)
Show SMILES C[C@@H](N)Cc1ccc(I)cc1 |r|
Show InChI InChI=1S/C9H12IN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3/t7-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of [3H]PIA binding to rat cortical adenosine A1 receptor


J Med Chem 35: 4143-9 (1992)


BindingDB Entry DOI: 10.7270/Q2XG9RSN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009552
PNG
(2-[6-Amino-2-(2-morpholin-4-yl-ethylamino)-purin-9...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 |r|
Show InChI InChI=1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of [3H]PIA binding to rat cortical adenosine A1 receptor


J Med Chem 35: 4143-9 (1992)


BindingDB Entry DOI: 10.7270/Q2XG9RSN
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50100526
PNG
(CHEMBL3327083)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H22F3N3O3S/c1-2-11-26(24,25)22-9-7-14(8-10-22)21-15(23)20-13-5-3-12(4-6-13)16(17,18)19/h3-6,14H,2,7-11H2,1H3,(H2,20,21,23)
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1.5n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111714
PNG
(CHEMBL416912 | N-(4-Carbamimidoyl-2-methoxy-benzyl...)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2ccc(cc2OC)C(N)=N)c1=O
Show InChI InChI=1S/C23H25N5O6S/c1-33-17-5-3-6-18(12-17)35(31,32)27-19-7-4-10-28(23(19)30)14-21(29)26-13-16-9-8-15(22(24)25)11-20(16)34-2/h3-12,27H,13-14H2,1-2H3,(H3,24,25)(H,26,29)
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1.60n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50100527
PNG
(CHEMBL3327082)
Show SMILES CCS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H20F3N3O3S/c1-2-25(23,24)21-9-7-13(8-10-21)20-14(22)19-12-5-3-11(4-6-12)15(16,17)18/h3-6,13H,2,7-10H2,1H3,(H2,19,20,22)
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1.70n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50100524
PNG
(CHEMBL3327085)
Show SMILES FC(F)(F)CS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H17F6N3O3S/c16-14(17,18)9-28(26,27)24-7-5-12(6-8-24)23-13(25)22-11-3-1-10(2-4-11)15(19,20)21/h1-4,12H,5-9H2,(H2,22,23,25)
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1.80n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111742
PNG
(CHEMBL417635 | N-((S)-2-Amino-1,4,5,6-tetrahydro-p...)
Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NC[C@@H]1CNC(N)=NC1 |c:28|
Show InChI InChI=1S/C20H27N7O2/c1-14-9-24-18(22-8-7-15-5-3-2-4-6-15)19(29)27(14)13-17(28)23-10-16-11-25-20(21)26-12-16/h2-6,9,16H,7-8,10-13H2,1H3,(H,22,24)(H,23,28)(H3,21,25,26)
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1.90n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50047726
PNG
((4-Iodo-benzyl)-methyl-(2-pyrrolidin-1-yl-ethyl)-a...)
Show SMILES CN(CCN1CCCC1)Cc1ccc(I)cc1
Show InChI InChI=1S/C14H21IN2/c1-16(10-11-17-8-2-3-9-17)12-13-4-6-14(15)7-5-13/h4-7H,2-3,8-12H2,1H3
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2n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against sigma-1 binding site in guinea pig,using [3H]- -(+)- Pentazocine


J Med Chem 36: 566-71 (1993)


BindingDB Entry DOI: 10.7270/Q2DV1KH3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000069
PNG
(CHEMBL20377 | [2-(3,4-Dichloro-phenyl)-ethyl]-meth...)
Show SMILES CN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H22Cl2N2/c1-18(10-11-19-7-2-3-8-19)9-6-13-4-5-14(16)15(17)12-13/h4-5,12H,2-3,6-11H2,1H3
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2.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against sigma-1 binding site in guinea pig,using [3H]- -(+)- Pentazocine


J Med Chem 36: 566-71 (1993)


BindingDB Entry DOI: 10.7270/Q2DV1KH3
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50100543
PNG
(CHEMBL3327063)
Show SMILES CCCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H22F3N3O2/c1-2-3-15(24)23-10-8-14(9-11-23)22-16(25)21-13-6-4-12(5-7-13)17(18,19)20/h4-7,14H,2-3,8-11H2,1H3,(H2,21,22,25)
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2.20n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000074
PNG
(CHEMBL142596 | [2-(3-Chloro-phenyl)-ethyl]-methyl-...)
Show SMILES CN(CCN1CCCC1)CCc1cccc(Cl)c1
Show InChI InChI=1S/C15H23ClN2/c1-17(11-12-18-8-2-3-9-18)10-7-14-5-4-6-15(16)13-14/h4-6,13H,2-3,7-12H2,1H3
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2.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against sigma-1 binding site in guinea pig,using [3H]- -(+)- Pentazocine


J Med Chem 36: 566-71 (1993)


BindingDB Entry DOI: 10.7270/Q2DV1KH3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000081
PNG
(CHEMBL358109 | [2-(4-Chloro-phenyl)-ethyl]-methyl-...)
Show SMILES CN(CCN1CCCC1)CCc1ccc(Cl)cc1
Show InChI InChI=1S/C15H23ClN2/c1-17(12-13-18-9-2-3-10-18)11-8-14-4-6-15(16)7-5-14/h4-7H,2-3,8-13H2,1H3
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2.40n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against sigma-1 binding site in guinea pig,using [3H]- -(+)- Pentazocine


J Med Chem 36: 566-71 (1993)


BindingDB Entry DOI: 10.7270/Q2DV1KH3
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50100536
PNG
(CHEMBL3327072)
Show SMILES CCC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1/C21H33N3O2/c1-6-15(2)19(25)24-13-11-18(12-14-24)23-20(26)22-17-9-7-16(8-10-17)21(3,4)5/h7-10,15,18H,6,11-14H2,1-5H3,(H2,22,23,26)
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2.40n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50012059
PNG
(CHEMBL3263302)
Show SMILES O=C(NCCCCCCCCNC(=O)NC1C2CC3CC(C2)CC1C3)NC1C2CC3CC(C2)CC1C3 |TLB:24:23:21:17.19.18,25:26:28:31.30.32,14:15:21.20.22:17.18.24,THB:24:18:21:15.23.22,33:34:28:31.30.32,33:31:28:34.35.26,26:34:30:28.27.32,26:27:30:34.35.33,14:15:21:17.19.18,19:20:15:17.18.24,19:18:15:21.20.22,(30.44,-12.61,;30.47,-11.07,;29.15,-10.27,;27.82,-11.05,;26.49,-10.27,;25.16,-11.05,;23.82,-10.27,;22.48,-11.05,;21.15,-10.27,;19.82,-11.05,;18.49,-10.27,;17.16,-11.04,;15.82,-10.28,;15.82,-8.74,;14.49,-11.05,;13.15,-10.29,;11.96,-11.24,;10.81,-10.38,;10.36,-9.04,;8.61,-8.92,;9.88,-9.82,;10.33,-11.27,;11.11,-8.82,;12.72,-8.84,;11.51,-8.1,;31.81,-10.33,;33.12,-11.12,;33.1,-12.63,;32.15,-13.86,;33.78,-13.24,;35.15,-13.82,;36.1,-12.76,;34.56,-13.25,;36.1,-11.25,;34.69,-10.68,;33.83,-11.83,)|
Show InChI InChI=1S/C30H50N4O2/c35-29(33-27-23-11-19-9-20(13-23)14-24(27)12-19)31-7-5-3-1-2-4-6-8-32-30(36)34-28-25-15-21-10-22(17-25)18-26(28)16-21/h19-28H,1-18H2,(H2,31,33,35)(H2,32,34,36)
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2.40n/an/an/an/an/an/an/an/a



Volzhsky Polytechnic Institute (branch) Volgograd State Technical University

Curated by ChEMBL


Assay Description
Displacement of ACPU from recombinant human soluble epoxide hydrolase after 1.5 hrs by FRET assay


Bioorg Med Chem Lett 24: 2193-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.016
BindingDB Entry DOI: 10.7270/Q2PR7XHZ
More data for this
Ligand-Target Pair
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