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Compile Data Set for Download or QSAR

Found 551 hits with Last Name = 'leblond' and Initial = 'b'   
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
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176918
PNG
((2S)-aminobutyryl-(2S)-indoline carboxylic acid pr...)
Show SMILES CCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)CC |r|
Show InChI InChI=1S/C16H23N3O2/c1-3-9-18-15(20)14-10-11-7-5-6-8-13(11)19(14)16(21)12(17)4-2/h5-8,12,14H,3-4,9-10,17H2,1-2H3,(H,18,20)/t12-,14-/m0/s1
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6n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50121282
PNG
((S)-1-((S)-2-aminobutanoyl)-N-butylindoline-2-carb...)
Show SMILES CCCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)CC
Show InChI InChI=1S/C17H25N3O2/c1-3-5-10-19-16(21)15-11-12-8-6-7-9-14(12)20(15)17(22)13(18)4-2/h6-9,13,15H,3-5,10-11,18H2,1-2H3,(H,19,21)/t13-,15-/m0/s1
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7n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176940
PNG
((2S)-aminobutyryl-(2S)-indoline carboxylic acid et...)
Show SMILES CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)CC |r|
Show InChI InChI=1S/C15H21N3O2/c1-3-11(16)15(20)18-12-8-6-5-7-10(12)9-13(18)14(19)17-4-2/h5-8,11,13H,3-4,9,16H2,1-2H3,(H,17,19)/t11-,13-/m0/s1
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12n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176934
PNG
((2S)-aminobutyryl-L-proline n-butylamide | CHEMBL2...)
Show SMILES CCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC |r|
Show InChI InChI=1S/C13H25N3O2/c1-3-5-8-15-12(17)11-7-6-9-16(11)13(18)10(14)4-2/h10-11H,3-9,14H2,1-2H3,(H,15,17)/t10-,11-/m0/s1
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80n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176913
PNG
((2S)-aminobutyryl-L-proline n-propylamide | CHEMBL...)
Show SMILES CCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC |r|
Show InChI InChI=1S/C12H23N3O2/c1-3-7-14-11(16)10-6-5-8-15(10)12(17)9(13)4-2/h9-10H,3-8,13H2,1-2H3,(H,14,16)/t9-,10-/m0/s1
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80n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176939
PNG
((2S)-1-((S)-2-aminobutanoyl)-4-benzyl-N-butylpyrro...)
Show SMILES CCCCNC(=O)[C@@H]1CC(Cc2ccccc2)CN1C(=O)[C@@H](N)CC |r|
Show InChI InChI=1S/C20H31N3O2/c1-3-5-11-22-19(24)18-13-16(12-15-9-7-6-8-10-15)14-23(18)20(25)17(21)4-2/h6-10,16-18H,3-5,11-14,21H2,1-2H3,(H,22,24)/t16?,17-,18-/m0/s1
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140n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176936
PNG
((2S)-aminobutyryl-L-proline n-pentylamide | CHEMBL...)
Show SMILES CCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC |r|
Show InChI InChI=1S/C14H27N3O2/c1-3-5-6-9-16-13(18)12-8-7-10-17(12)14(19)11(15)4-2/h11-12H,3-10,15H2,1-2H3,(H,16,18)/t11-,12-/m0/s1
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270n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176927
PNG
((2S)-aminobutyryl-L-proline 3-methylthiopropylamid...)
Show SMILES CC[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCCCSC |r|
Show InChI InChI=1S/C13H25N3O2S/c1-3-10(14)13(18)16-8-4-6-11(16)12(17)15-7-5-9-19-2/h10-11H,3-9,14H2,1-2H3,(H,15,17)/t10-,11-/m0/s1
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300n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176935
PNG
((2S,4S)-1-((S)-2-aminobutanoyl)-N-butyl-4-fluoropy...)
Show SMILES CCCCNC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)CC |r|
Show InChI InChI=1S/C13H24FN3O2/c1-3-5-6-16-12(18)11-7-9(14)8-17(11)13(19)10(15)4-2/h9-11H,3-8,15H2,1-2H3,(H,16,18)/t9-,10-,11-/m0/s1
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320n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176945
PNG
((2S)-aminobutyryl-L-proline isobutylamide | CHEMBL...)
Show SMILES CC[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(C)C |r|
Show InChI InChI=1S/C13H25N3O2/c1-4-10(14)13(18)16-7-5-6-11(16)12(17)15-8-9(2)3/h9-11H,4-8,14H2,1-3H3,(H,15,17)/t10-,11-/m0/s1
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320n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176922
PNG
((2S)-aminobutyryl-(2S)-indoline carboxylic acid me...)
Show SMILES CC[C@H](N)C(=O)N1[C@@H](Cc2ccccc12)C(=O)NC |r|
Show InChI InChI=1S/C14H19N3O2/c1-3-10(15)14(19)17-11-7-5-4-6-9(11)8-12(17)13(18)16-2/h4-7,10,12H,3,8,15H2,1-2H3,(H,16,18)/t10-,12-/m0/s1
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340n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176914
PNG
((2S)-aminobutyryl-L-proline-(2S)-methylbutylamide ...)
Show SMILES CC[C@H](C)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC |r|
Show InChI InChI=1S/C14H27N3O2/c1-4-10(3)9-16-13(18)12-7-6-8-17(12)14(19)11(15)5-2/h10-12H,4-9,15H2,1-3H3,(H,16,18)/t10-,11-,12-/m0/s1
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500n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176920
PNG
((S)-1-((S)-2-amino-3-methylbutanoyl)-N-butylpyrrol...)
Show SMILES CCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C |r|
Show InChI InChI=1S/C14H27N3O2/c1-4-5-8-16-13(18)11-7-6-9-17(11)14(19)12(15)10(2)3/h10-12H,4-9,15H2,1-3H3,(H,16,18)/t11-,12-/m0/s1
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570n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176932
PNG
((2S)-aminobutyryl-L-prolinamide | CHEMBL224063)
Show SMILES CC[C@H](N)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C9H17N3O2/c1-2-6(10)9(14)12-5-3-4-7(12)8(11)13/h6-7H,2-5,10H2,1H3,(H2,11,13)/t6-,7-/m0/s1
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570n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176928
PNG
(CHEMBL375490 | L-valyl-L-proline hexylamide)
Show SMILES CCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C |r|
Show InChI InChI=1S/C16H31N3O2/c1-4-5-6-7-10-18-15(20)13-9-8-11-19(13)16(21)14(17)12(2)3/h12-14H,4-11,17H2,1-3H3,(H,18,20)/t13-,14-/m0/s1
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900n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176926
PNG
(CHEMBL224628 | L-norvalyl-L-prolinamide)
Show SMILES CCC[C@H](N)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C10H19N3O2/c1-2-4-7(11)10(15)13-6-3-5-8(13)9(12)14/h7-8H,2-6,11H2,1H3,(H2,12,14)/t7-,8-/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176919
PNG
(CHEMBL388843 | L-norleucyl-L-prolinamide)
Show SMILES CCCC[C@H](N)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C11H21N3O2/c1-2-3-5-8(12)11(16)14-7-4-6-9(14)10(13)15/h8-9H,2-7,12H2,1H3,(H2,13,15)/t8-,9-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176925
PNG
(CHEMBL224340 | L-leucyl-L-prolinamide)
Show SMILES CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C11H21N3O2/c1-7(2)6-8(12)11(16)14-5-3-4-9(14)10(13)15/h7-9H,3-6,12H2,1-2H3,(H2,13,15)/t8-,9-/m0/s1
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2.10E+3n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176943
PNG
((S)-1-((S)-2-aminopropanoyl)pyrrolidine-2-carboxam...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C8H15N3O2/c1-5(9)8(13)11-4-2-3-6(11)7(10)12/h5-6H,2-4,9H2,1H3,(H2,10,12)/t5-,6-/m0/s1
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2.10E+3n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176931
PNG
(CHEMBL376375 | L-valyl-L-proline benzylamide)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C17H25N3O2/c1-12(2)15(18)17(22)20-10-6-9-14(20)16(21)19-11-13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11,18H2,1-2H3,(H,19,21)/t14-,15-/m0/s1
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3.30E+3n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176924
PNG
(CHEMBL224341 | L-isoleucyl-L-prolinamide)
Show SMILES CCC(C)[C@H](N)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C11H21N3O2/c1-3-7(2)9(12)11(16)14-6-4-5-8(14)10(13)15/h7-9H,3-6,12H2,1-2H3,(H2,13,15)/t7?,8-,9-/m0/s1
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4.30E+3n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176930
PNG
((2S)-aminobutyryl-L-proline (R)-sec-butylamide | C...)
Show SMILES CC[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC |r|
Show InChI InChI=1S/C13H25N3O2/c1-4-9(3)15-12(17)11-7-6-8-16(11)13(18)10(14)5-2/h9-11H,4-8,14H2,1-3H3,(H,15,17)/t9-,10+,11+/m1/s1
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4.50E+3n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176938
PNG
(CHEMBL388062 | alpha-methylalanyl-L-proline butyla...)
Show SMILES CCCCNC(=O)[C@@H]1CCCN1C(=O)C(C)(C)N |r|
Show InChI InChI=1S/C13H25N3O2/c1-4-5-8-15-11(17)10-7-6-9-16(10)12(18)13(2,3)14/h10H,4-9,14H2,1-3H3,(H,15,17)/t10-/m0/s1
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5.00E+3n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176929
PNG
(CHEMBL375933 | L-valyl-L-prolinamide)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C10H19N3O2/c1-6(2)8(11)10(15)13-5-3-4-7(13)9(12)14/h6-8H,3-5,11H2,1-2H3,(H2,12,14)/t7-,8-/m0/s1
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6.00E+3n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176944
PNG
(1-((S)-2-aminobutanoyl)-N-butylazepane-2-carboxami...)
Show SMILES CCCCNC(=O)C1CCCCCN1C(=O)[C@@H](N)CC |r|
Show InChI InChI=1S/C15H29N3O2/c1-3-5-10-17-14(19)13-9-7-6-8-11-18(13)15(20)12(16)4-2/h12-13H,3-11,16H2,1-2H3,(H,17,19)/t12-,13?/m0/s1
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6.00E+3n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176923
PNG
((2S)-aminobutyryl-(R)-pipecolinic acid amide | CHE...)
Show SMILES CC[C@H](N)C(=O)N1CCCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C10H19N3O2/c1-2-7(11)10(15)13-6-4-3-5-8(13)9(12)14/h7-8H,2-6,11H2,1H3,(H2,12,14)/t7-,8+/m0/s1
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1.20E+4n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176921
PNG
((2S)-aminobutyryl-(2S)-azetidine carboxamide | CHE...)
Show SMILES CC[C@H](N)C(=O)N1CC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C8H15N3O2/c1-2-5(9)8(13)11-4-3-6(11)7(10)12/h5-6H,2-4,9H2,1H3,(H2,10,12)/t5-,6-/m0/s1
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2.00E+4n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176915
PNG
((2S)-aminobutyryl-L-proline (S)-sec-butylamide | C...)
Show SMILES CC[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC |r|
Show InChI InChI=1S/C13H25N3O2/c1-4-9(3)15-12(17)11-7-6-8-16(11)13(18)10(14)5-2/h9-11H,4-8,14H2,1-3H3,(H,15,17)/t9-,10-,11-/m0/s1
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2.00E+4n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176912
PNG
(CHEMBL225596 | L-valyl-L-proline cyclohexylmethyla...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(C)C1CCCCC1 |r|
Show InChI InChI=1S/C17H31N3O2/c1-12(2)15(18)17(22)20-11-7-10-14(20)16(21)19(3)13-8-5-4-6-9-13/h12-15H,4-11,18H2,1-3H3/t14-,15-/m0/s1
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3.40E+4n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176911
PNG
((2S)-aminobutyryl-L-pipecolinic acid n-butylamide ...)
Show SMILES CCCCNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](N)CC |r|
Show InChI InChI=1S/C14H27N3O2/c1-3-5-9-16-13(18)12-8-6-7-10-17(12)14(19)11(15)4-2/h11-12H,3-10,15H2,1-2H3,(H,16,18)/t11-,12-/m0/s1
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3.50E+4n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176916
PNG
((2S)-aminobutyryl-(S)-nipecotamide | CHEMBL223665)
Show SMILES CC[C@H](N)C(=O)N1CCC[C@@H](C1)C(N)=O |r|
Show InChI InChI=1S/C10H19N3O2/c1-2-8(11)10(15)13-5-3-4-7(6-13)9(12)14/h7-8H,2-6,11H2,1H3,(H2,12,14)/t7-,8-/m0/s1
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4.00E+4n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176942
PNG
((2S)-aminobutyryl-4-thia-L-prolinamide | CHEMBL375...)
Show SMILES CC[C@H](N)C(=O)N1CSC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C8H15N3O2S/c1-2-5(9)8(13)11-4-14-3-6(11)7(10)12/h5-6H,2-4,9H2,1H3,(H2,10,12)/t5-,6+/m0/s1
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4.00E+4n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176933
PNG
(CHEMBL390771 | L-valyl-L-proline piperidinylamide)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NN1CCCCC1 |r|
Show InChI InChI=1S/C15H28N4O2/c1-11(2)13(16)15(21)19-10-6-7-12(19)14(20)17-18-8-4-3-5-9-18/h11-13H,3-10,16H2,1-2H3,(H,17,20)/t12-,13-/m0/s1
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5.70E+4n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176941
PNG
(CHEMBL224610 | L-phenylalanyl-L-prolinamide)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C14H19N3O2/c15-11(9-10-5-2-1-3-6-10)14(19)17-8-4-7-12(17)13(16)18/h1-3,5-6,11-12H,4,7-9,15H2,(H2,16,18)/t11-,12-/m0/s1
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7.10E+4n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176937
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)-N-butylpyrrol...)
Show SMILES CCCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](N)C(C)C |r|
Show InChI InChI=1S/C14H27N3O2/c1-4-5-8-16-13(18)11-7-6-9-17(11)14(19)12(15)10(2)3/h10-12H,4-9,15H2,1-3H3,(H,16,18)/t11-,12+/m1/s1
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1.90E+5n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176917
PNG
(CHEMBL390838 | L-valyl-L-proline-N-naphthylamide)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C20H25N3O2/c1-13(2)18(21)20(25)23-11-5-8-17(23)19(24)22-16-10-9-14-6-3-4-7-15(14)12-16/h3-4,6-7,9-10,12-13,17-18H,5,8,11,21H2,1-2H3,(H,22,24)/t17-,18-/m0/s1
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8.60E+5n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50380208
PNG
(CHEMBL2011408)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c3ccc(OS(N)(=O)=O)c4[N+]([O-])=O)[C@@H]1CCC2=O |r|
Show InChI InChI=1S/C18H22N2O6S/c1-18-9-8-11-10-4-6-15(26-27(19,24)25)17(20(22)23)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14H,2-3,5,7-9H2,1H3,(H2,19,24,25)/t11-,12-,14+,18+/m1/s1
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n/an/a 0.0100n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase in human MCF7 cells using [3H]E1S as substrate after 20 hrs by scintillation spectrometry


Bioorg Med Chem 20: 2506-19 (2012)


Article DOI: 10.1016/j.bmc.2012.03.007
BindingDB Entry DOI: 10.7270/Q2XG9S4J
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50380223
PNG
(CHEMBL2011422)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(cc34)C(F)F)[C@@H]1CCC2=O |r|
Show InChI InChI=1S/C19H23F2NO4S/c1-19-7-6-11-12(15(19)4-5-17(19)23)3-2-10-8-16(26-27(22,24)25)14(18(20)21)9-13(10)11/h8-9,11-12,15,18H,2-7H2,1H3,(H2,22,24,25)/t11-,12+,15-,19-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry


Bioorg Med Chem 20: 2506-19 (2012)


Article DOI: 10.1016/j.bmc.2012.03.007
BindingDB Entry DOI: 10.7270/Q2XG9S4J
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50380216
PNG
(CHEMBL364332)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(Br)cc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H22BrNO4S/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(24-25(20,22)23)15(19)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3,(H2,20,22,23)/t11-,12+,14-,18-/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase in human MCF7 cells using [3H]E1S as substrate after 20 hrs by scintillation spectrometry


Bioorg Med Chem 20: 2506-19 (2012)


Article DOI: 10.1016/j.bmc.2012.03.007
BindingDB Entry DOI: 10.7270/Q2XG9S4J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM125523
PNG
(US8772316, 6)
Show SMILES CCc1[nH]c(=O)c(Cc2ccc3oc4ccccc4c3c2)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C26H23NO4/c1-4-21-18-14-25(30-3)24(29-2)13-17(18)20(26(28)27-21)12-15-9-10-23-19(11-15)16-7-5-6-8-22(16)31-23/h5-11,13-14H,4,12H2,1-3H3,(H,27,28)
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n/an/a 0.120n/an/an/an/a7.4n/a



Allergan, Inc.; Exonhit Therapeutics SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE from Perkin Elmer). This co...


US Patent US8772316 (2014)


BindingDB Entry DOI: 10.7270/Q2Q81BR8
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM187126
PNG
(US9670181, 6 4-(dibenzo[b,d]furan-2-ylmethyl)-1-et...)
Show SMILES CCc1nc(O)c(Cc2ccc3oc4ccccc4c3c2)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C26H23NO4/c1-4-21-18-14-25(30-3)24(29-2)13-17(18)20(26(28)27-21)12-15-9-10-23-19(11-15)16-7-5-6-8-22(16)31-23/h5-11,13-14H,4,12H2,1-3H3,(H,27,28)
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n/an/a 0.120n/an/an/an/a7.425



ALLERGAN, INC.; EXONHIT THERAPEUTICS SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE® from Perkin Elmer). This c...


US Patent US9670181 (2017)


BindingDB Entry DOI: 10.7270/Q21Z42KJ
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434358
PNG
(CHEMBL2386770 | US9446044, 68)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(F)cc4Br)c3c2s1
Show InChI InChI=1S/C17H11BrFN5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(19)6-9(10)18/h2-7,20H,1H3,(H,21,22,23)
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n/an/a 0.160n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM194437
PNG
(US9200016, 119)
Show SMILES COCc1ncc(Cc2ccc3cccc(NS(N)(=O)=O)c3n2)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C23H24N4O5S/c1-30-13-20-18-11-22(32-3)21(31-2)10-17(18)15(12-25-20)9-16-8-7-14-5-4-6-19(23(14)26-16)27-33(24,28)29/h4-8,10-12,27H,9,13H2,1-3H3,(H2,24,28,29)
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n/an/a 0.180n/an/an/an/a7.437



Allergan, Inc.; Exonhit Therapeutics, SA

US Patent


Assay Description
The phosphodiesterase assay was developed using the LANCE cAMP kit (PerkinElmer). The assay buffer contained HBSS with 5 mM HEPES, 0.1% BSA, and 1....


US Patent US9200016 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81PH
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434353
PNG
(CHEMBL2386747 | US9446044, 72)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1
Show InChI InChI=1S/C17H11Cl2N5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
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n/an/a 0.220n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50434358
PNG
(CHEMBL2386770 | US9446044, 68)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(F)cc4Br)c3c2s1
Show InChI InChI=1S/C17H11BrFN5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(19)6-9(10)18/h2-7,20H,1H3,(H,21,22,23)
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n/an/a 0.240n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM125567
PNG
(US8772316, 50)
Show SMILES CCCc1[nH]c(=O)c(Cc2cc3cc(OC)ccc3nc2NCC)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C27H31N3O4/c1-6-8-23-20-15-25(34-5)24(33-4)14-19(20)21(27(31)30-23)13-17-11-16-12-18(32-3)9-10-22(16)29-26(17)28-7-2/h9-12,14-15H,6-8,13H2,1-5H3,(H,28,29)(H,30,31)
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n/an/a 0.280n/an/an/an/a7.4n/a



Allergan, Inc.; Exonhit Therapeutics SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE from Perkin Elmer). This co...


US Patent US8772316 (2014)


BindingDB Entry DOI: 10.7270/Q2Q81BR8
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50434353
PNG
(CHEMBL2386747 | US9446044, 72)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1
Show InChI InChI=1S/C17H11Cl2N5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
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n/an/a 0.280n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM187169
PNG
(US9670181, 48 6,7-dimethoxy-4-((6-methoxy-2-(methy...)
Show SMILES CCCc1nc(O)c(Cc2cc3cc(OC)ccc3nc2NCC)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C27H31N3O4/c1-6-8-23-20-15-25(34-5)24(33-4)14-19(20)21(27(31)30-23)13-17-11-16-12-18(32-3)9-10-22(16)29-26(17)28-7-2/h9-12,14-15H,6-8,13H2,1-5H3,(H,28,29)(H,30,31)
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n/an/a 0.280n/an/an/an/a7.425



ALLERGAN, INC.; EXONHIT THERAPEUTICS SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE® from Perkin Elmer). This c...


US Patent US9670181 (2017)


BindingDB Entry DOI: 10.7270/Q21Z42KJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM187210
PNG
(US9670181, 86 4-((6-ethoxy-2-(ethylamino)-7-fluoro...)
Show SMILES CCCc1nc(O)c(Cc2cc3cc(OCC)c(F)cc3nc2NCC)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C28H32FN3O4/c1-6-9-22-19-14-26(35-5)25(34-4)13-18(19)20(28(33)32-22)11-17-10-16-12-24(36-8-3)21(29)15-23(16)31-27(17)30-7-2/h10,12-15H,6-9,11H2,1-5H3,(H,30,31)(H,32,33)
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n/an/a 0.300n/an/an/an/a7.425



ALLERGAN, INC.; EXONHIT THERAPEUTICS SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE® from Perkin Elmer). This c...


US Patent US9670181 (2017)


BindingDB Entry DOI: 10.7270/Q21Z42KJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM125603
PNG
(US8772316, 86)
Show SMILES CCCc1[nH]c(=O)c(Cc2cc3cc(OCC)c(F)cc3nc2NCC)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C28H32FN3O4/c1-6-9-22-19-14-26(35-5)25(34-4)13-18(19)20(28(33)32-22)11-17-10-16-12-24(36-8-3)21(29)15-23(16)31-27(17)30-7-2/h10,12-15H,6-9,11H2,1-5H3,(H,30,31)(H,32,33)
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n/an/a 0.300n/an/an/an/a7.4n/a



Allergan, Inc.; Exonhit Therapeutics SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE from Perkin Elmer). This co...


US Patent US8772316 (2014)


BindingDB Entry DOI: 10.7270/Q2Q81BR8
More data for this
Ligand-Target Pair
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