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Compile Data Set for Download or QSAR

Found 331 hits with Last Name = 'hill' and Initial = 'o'   
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
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM12072
PNG
((R)-[1-(4-Methoxybiphenyl-4-sulfonylamino)-2-methy...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O
Show InChI InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m1/s1
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PubMed
0.600 -52.6n/an/an/an/an/a7.525



Istituto di Cristallografia



Assay Description
Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...


J Med Chem 49: 923-31 (2006)


Article DOI: 10.1021/jm050787+
BindingDB Entry DOI: 10.7270/Q2348HM7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Stromelysin-1


(Homo sapiens (Human))
BDBM12075
PNG
((2S)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-3-m...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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PubMed
4.40 -47.7n/an/an/an/an/a7.525



Istituto di Cristallografia



Assay Description
Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...


J Med Chem 49: 923-31 (2006)


Article DOI: 10.1021/jm050787+
BindingDB Entry DOI: 10.7270/Q2348HM7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM12072
PNG
((R)-[1-(4-Methoxybiphenyl-4-sulfonylamino)-2-methy...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O
Show InChI InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m1/s1
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5 -47.4n/an/an/an/an/a7.525



Istituto di Cristallografia



Assay Description
Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...


J Med Chem 49: 923-31 (2006)


Article DOI: 10.1021/jm050787+
BindingDB Entry DOI: 10.7270/Q2348HM7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM12072
PNG
((R)-[1-(4-Methoxybiphenyl-4-sulfonylamino)-2-methy...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O
Show InChI InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m1/s1
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40 -42.2n/an/an/an/an/a7.525



Istituto di Cristallografia



Assay Description
Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...


J Med Chem 49: 923-31 (2006)


Article DOI: 10.1021/jm050787+
BindingDB Entry DOI: 10.7270/Q2348HM7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM12074
PNG
((2R)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-3-m...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m1/s1
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PubMed
54.9 -41.4n/an/an/an/an/a7.525



Istituto di Cristallografia



Assay Description
Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...


J Med Chem 49: 923-31 (2006)


Article DOI: 10.1021/jm050787+
BindingDB Entry DOI: 10.7270/Q2348HM7
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM12073
PNG
((S)-[1-(4-Methoxybiphenyl-4-sulfonylamino)-2-methy...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)P(O)(O)=O
Show InChI InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m0/s1
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700 -35.1n/an/an/an/an/a7.525



Istituto di Cristallografia



Assay Description
Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...


J Med Chem 49: 923-31 (2006)


Article DOI: 10.1021/jm050787+
BindingDB Entry DOI: 10.7270/Q2348HM7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase


(Homo sapiens (Human))
BDBM12073
PNG
((S)-[1-(4-Methoxybiphenyl-4-sulfonylamino)-2-methy...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)P(O)(O)=O
Show InChI InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m0/s1
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1.20E+3 -33.8n/an/an/an/an/a7.525



Istituto di Cristallografia



Assay Description
Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...


J Med Chem 49: 923-31 (2006)


Article DOI: 10.1021/jm050787+
BindingDB Entry DOI: 10.7270/Q2348HM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50296131
PNG
(CHEMBL564249 | N-(((S)-1-((R)-3-amino-4-(3-chlorop...)
Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClN3O4S/c1-32(30,31)21-9-3-6-17(13-21)23(29)26-15-20-8-4-10-27(20)22(28)14-19(25)12-16-5-2-7-18(24)11-16/h2-3,5-7,9,11,13,19-20H,4,8,10,12,14-15,25H2,1H3,(H,26,29)/t19-,20+/m1/s1
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n/an/a 0.380n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 by continuous fluorimetric assay


Bioorg Med Chem Lett 19: 4201-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.109
BindingDB Entry DOI: 10.7270/Q24749XM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase


(Homo sapiens (Human))
BDBM8485
PNG
((2R)-N-hydroxy-3-methyl-2-[(4-phenoxybenzene)sulfo...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO
Show InChI InChI=1S/C17H20N2O5S/c1-12(2)16(17(20)18-21)19-25(22,23)15-10-8-14(9-11-15)24-13-6-4-3-5-7-13/h3-12,16,19,21H,1-2H3,(H,18,20)/t16-/m1/s1
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n/an/a 1n/an/an/an/a7.025



Istituto di Cristallografia



Assay Description
Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...


J Med Chem 49: 923-31 (2006)


Article DOI: 10.1021/jm050787+
BindingDB Entry DOI: 10.7270/Q2348HM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50302961
PNG
((R)-3-amino-1-((S)-2-(3-(1-(methylsulfonyl)azetidi...)
Show SMILES CS(=O)(=O)N1CC(C1)c1noc(n1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H24F3N5O4S/c1-33(30,31)27-9-12(10-27)19-25-20(32-26-19)17-3-2-4-28(17)18(29)7-13(24)5-11-6-15(22)16(23)8-14(11)21/h6,8,12-13,17H,2-5,7,9-10,24H2,1H3/t13-,17+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 transfected in Pichia methanolica expression system after 10 mins by continuous fluorimetric assay


Bioorg Med Chem Lett 19: 6340-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.078
BindingDB Entry DOI: 10.7270/Q2WS8TB2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50296761
PNG
(CHEMBL564105 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...)
Show SMILES CN(C[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(=O)C1CC1
Show InChI InChI=1S/C20H26F3N3O2/c1-25(20(28)12-4-5-12)11-15-3-2-6-26(15)19(27)9-14(24)7-13-8-17(22)18(23)10-16(13)21/h8,10,12,14-15H,2-7,9,11,24H2,1H3/t14-,15+/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 19: 4818-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.036
BindingDB Entry DOI: 10.7270/Q20865B6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50296768
PNG
(CHEMBL554908 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)C1CC1(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H22F5N3O2/c20-14-7-16(22)15(21)5-10(14)4-11(25)6-17(28)27-3-1-2-12(27)9-26-18(29)13-8-19(13,23)24/h5,7,11-13H,1-4,6,8-9,25H2,(H,26,29)/t11-,12+,13?/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 19: 4818-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.036
BindingDB Entry DOI: 10.7270/Q20865B6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50296755
PNG
(CHEMBL558452 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...)
Show SMILES CN(C[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C17H21F6N3O3S/c1-25(30(28,29)17(21,22)23)9-12-3-2-4-26(12)16(27)7-11(24)5-10-6-14(19)15(20)8-13(10)18/h6,8,11-12H,2-5,7,9,24H2,1H3/t11-,12+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 19: 4818-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.036
BindingDB Entry DOI: 10.7270/Q20865B6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50302964
PNG
((R)-3-amino-1-((S)-2-(3-(pyrazin-2-yl)-1,2,4-oxadi...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)-c1cnccn1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H19F3N6O2/c21-13-9-15(23)14(22)7-11(13)6-12(24)8-18(30)29-5-1-2-17(29)20-27-19(28-31-20)16-10-25-3-4-26-16/h3-4,7,9-10,12,17H,1-2,5-6,8,24H2/t12-,17+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 transfected in Pichia methanolica expression system after 10 mins by continuous fluorimetric assay


Bioorg Med Chem Lett 19: 6340-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.078
BindingDB Entry DOI: 10.7270/Q2WS8TB2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50302956
PNG
((R)-3-amino-1-((S)-2-(3-tert-butyl-1,2,4-oxadiazol...)
Show SMILES CC(C)(C)c1noc(n1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H25F3N4O2/c1-20(2,3)19-25-18(29-26-19)16-5-4-6-27(16)17(28)9-12(24)7-11-8-14(22)15(23)10-13(11)21/h8,10,12,16H,4-7,9,24H2,1-3H3/t12-,16+/m1/s1
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Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 transfected in Pichia methanolica expression system after 10 mins by continuous fluorimetric assay


Bioorg Med Chem Lett 19: 6340-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.078
BindingDB Entry DOI: 10.7270/Q2WS8TB2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50302972
PNG
((R)-3-amino-1-((S)-2-(5-(3-methyloxetan-3-yl)-1,2,...)
Show SMILES CC1(COC1)c1nc(no1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H23F3N4O3/c1-20(9-29-10-20)19-25-18(26-30-19)16-3-2-4-27(16)17(28)7-12(24)5-11-6-14(22)15(23)8-13(11)21/h6,8,12,16H,2-5,7,9-10,24H2,1H3/t12-,16+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 transfected in Pichia methanolica expression system after 10 mins by continuous fluorimetric assay


Bioorg Med Chem Lett 19: 6340-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.078
BindingDB Entry DOI: 10.7270/Q2WS8TB2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50302958
PNG
((R)-3-amino-1-((S)-2-(3-(1-(trifluoromethyl)cyclop...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)C1(CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H20F6N4O2/c21-12-9-14(23)13(22)7-10(12)6-11(27)8-16(31)30-5-1-2-15(30)17-28-18(29-32-17)19(3-4-19)20(24,25)26/h7,9,11,15H,1-6,8,27H2/t11-,15+/m1/s1
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Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 transfected in Pichia methanolica expression system after 10 mins by continuous fluorimetric assay


Bioorg Med Chem Lett 19: 6340-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.078
BindingDB Entry DOI: 10.7270/Q2WS8TB2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50296773
PNG
(6-(((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)bu...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1COc1ccc(cn1)C#N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H21F3N4O2/c22-17-9-19(24)18(23)7-14(17)6-15(26)8-21(29)28-5-1-2-16(28)12-30-20-4-3-13(10-25)11-27-20/h3-4,7,9,11,15-16H,1-2,5-6,8,12,26H2/t15-,16+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 19: 4818-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.036
BindingDB Entry DOI: 10.7270/Q20865B6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50296767
PNG
(CHEMBL563901 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)C1CCC1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H26F3N3O2/c21-16-10-18(23)17(22)8-13(16)7-14(24)9-19(27)26-6-2-5-15(26)11-25-20(28)12-3-1-4-12/h8,10,12,14-15H,1-7,9,11,24H2,(H,25,28)/t14-,15+/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 19: 4818-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.036
BindingDB Entry DOI: 10.7270/Q20865B6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50296772
PNG
(2-(((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)bu...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1COc1cc(ccn1)C#N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H21F3N4O2/c22-17-10-19(24)18(23)8-14(17)7-15(26)9-21(29)28-5-1-2-16(28)12-30-20-6-13(11-25)3-4-27-20/h3-4,6,8,10,15-16H,1-2,5,7,9,12,26H2/t15-,16+/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 19: 4818-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.036
BindingDB Entry DOI: 10.7270/Q20865B6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50296769
PNG
(CHEMBL552069 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)C1(CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H23F6N3O2/c21-14-9-16(23)15(22)7-11(14)6-12(27)8-17(30)29-5-1-2-13(29)10-28-18(31)19(3-4-19)20(24,25)26/h7,9,12-13H,1-6,8,10,27H2,(H,28,31)/t12-,13+/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 19: 4818-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.036
BindingDB Entry DOI: 10.7270/Q20865B6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50296754
PNG
(CHEMBL558647 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CN(C1CC1)S(=O)(=O)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H23F6N3O3S/c20-15-9-17(22)16(21)7-11(15)6-12(26)8-18(29)27-5-1-2-14(27)10-28(13-3-4-13)32(30,31)19(23,24)25/h7,9,12-14H,1-6,8,10,26H2/t12-,14+/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 19: 4818-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.036
BindingDB Entry DOI: 10.7270/Q20865B6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50302957
PNG
((R)-3-amino-1-((S)-2-(3-(cyclopropylmethyl)-1,2,4-...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1c1nc(CC2CC2)no1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H23F3N4O2/c21-14-10-16(23)15(22)8-12(14)7-13(24)9-19(28)27-5-1-2-17(27)20-25-18(26-29-20)6-11-3-4-11/h8,10-11,13,17H,1-7,9,24H2/t13-,17+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 transfected in Pichia methanolica expression system after 10 mins by continuous fluorimetric assay


Bioorg Med Chem Lett 19: 6340-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.078
BindingDB Entry DOI: 10.7270/Q2WS8TB2
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM12076
PNG
((2R)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-N-h...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(=O)NO
Show InChI InChI=1S/C17H19BrN2O4S/c1-11(2)16(17(21)19-22)20-25(23,24)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,20,22H,1-2H3,(H,19,21)/t16-/m1/s1
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n/an/a 3n/an/an/an/a7.025



Istituto di Cristallografia



Assay Description
Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...


J Med Chem 49: 923-31 (2006)


Article DOI: 10.1021/jm050787+
BindingDB Entry DOI: 10.7270/Q2348HM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50302966
PNG
((R)-3-amino-1-((S)-2-(3-(3,5-difluoropyridin-2-yl)...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)-c1ncc(F)cc1F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H18F5N5O2/c22-11-6-16(26)19(28-9-11)20-29-21(33-30-20)17-2-1-3-31(17)18(32)7-12(27)4-10-5-14(24)15(25)8-13(10)23/h5-6,8-9,12,17H,1-4,7,27H2/t12-,17+/m1/s1
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Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 transfected in Pichia methanolica expression system after 10 mins by continuous fluorimetric assay


Bioorg Med Chem Lett 19: 6340-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.078
BindingDB Entry DOI: 10.7270/Q2WS8TB2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50296779
PNG
(2-(((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)bu...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNc1ncccc1C#N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H22F3N5O/c22-17-10-19(24)18(23)8-14(17)7-15(26)9-20(30)29-6-2-4-16(29)12-28-21-13(11-25)3-1-5-27-21/h1,3,5,8,10,15-16H,2,4,6-7,9,12,26H2,(H,27,28)/t15-,16+/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 19: 4818-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.036
BindingDB Entry DOI: 10.7270/Q20865B6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50296762
PNG
(CHEMBL550114 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)CC(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C18H21F6N3O2/c19-13-7-15(21)14(20)5-10(13)4-11(25)6-17(29)27-3-1-2-12(27)9-26-16(28)8-18(22,23)24/h5,7,11-12H,1-4,6,8-9,25H2,(H,26,28)/t11-,12+/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 19: 4818-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.036
BindingDB Entry DOI: 10.7270/Q20865B6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50296781
PNG
(6-(((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)bu...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNc1ccc(cn1)C#N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H22F3N5O/c22-17-9-19(24)18(23)7-14(17)6-15(26)8-21(30)29-5-1-2-16(29)12-28-20-4-3-13(10-25)11-27-20/h3-4,7,9,11,15-16H,1-2,5-6,8,12,26H2,(H,27,28)/t15-,16+/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 19: 4818-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.036
BindingDB Entry DOI: 10.7270/Q20865B6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50296765
PNG
(CHEMBL558322 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...)
Show SMILES CC(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H28F3N3O2/c1-20(2,3)19(28)25-11-14-5-4-6-26(14)18(27)9-13(24)7-12-8-16(22)17(23)10-15(12)21/h8,10,13-14H,4-7,9,11,24H2,1-3H3,(H,25,28)/t13-,14+/m1/s1
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n/an/a 3.70n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 19: 4818-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.036
BindingDB Entry DOI: 10.7270/Q20865B6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50296774
PNG
((R)-3-amino-1-((S)-2-((4-(trifluoromethyl)pyrimidi...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNc1nccc(n1)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H21F6N5O/c21-14-9-16(23)15(22)7-11(14)6-12(27)8-18(32)31-5-1-2-13(31)10-29-19-28-4-3-17(30-19)20(24,25)26/h3-4,7,9,12-13H,1-2,5-6,8,10,27H2,(H,28,29,30)/t12-,13+/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 19: 4818-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.036
BindingDB Entry DOI: 10.7270/Q20865B6
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM8485
PNG
((2R)-N-hydroxy-3-methyl-2-[(4-phenoxybenzene)sulfo...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO
Show InChI InChI=1S/C17H20N2O5S/c1-12(2)16(17(20)18-21)19-25(22,23)15-10-8-14(9-11-15)24-13-6-4-3-5-7-13/h3-12,16,19,21H,1-2H3,(H,18,20)/t16-/m1/s1
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n/an/a 4n/an/an/an/a6.025



Istituto di Cristallografia



Assay Description
Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...


J Med Chem 49: 923-31 (2006)


Article DOI: 10.1021/jm050787+
BindingDB Entry DOI: 10.7270/Q2348HM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50302965
PNG
((R)-3-amino-1-((S)-2-(3-(pyrimidin-2-yl)-1,2,4-oxa...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)-c1ncccn1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H19F3N6O2/c21-13-10-15(23)14(22)8-11(13)7-12(24)9-17(30)29-6-1-3-16(29)20-27-19(28-31-20)18-25-4-2-5-26-18/h2,4-5,8,10,12,16H,1,3,6-7,9,24H2/t12-,16+/m1/s1
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Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 transfected in Pichia methanolica expression system after 10 mins by continuous fluorimetric assay


Bioorg Med Chem Lett 19: 6340-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.078
BindingDB Entry DOI: 10.7270/Q2WS8TB2
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM12075
PNG
((2S)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-3-m...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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n/an/a 4n/an/an/an/a7.025



Istituto di Cristallografia



Assay Description
Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...


J Med Chem 49: 923-31 (2006)


Article DOI: 10.1021/jm050787+
BindingDB Entry DOI: 10.7270/Q2348HM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50302959
PNG
((R)-3-amino-1-((S)-2-(3-morpholino-1,2,4-oxadiazol...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)N1CCOCC1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H24F3N5O3/c21-14-11-16(23)15(22)9-12(14)8-13(24)10-18(29)28-3-1-2-17(28)19-25-20(26-31-19)27-4-6-30-7-5-27/h9,11,13,17H,1-8,10,24H2/t13-,17+/m1/s1
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Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 transfected in Pichia methanolica expression system after 10 mins by continuous fluorimetric assay


Bioorg Med Chem Lett 19: 6340-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.078
BindingDB Entry DOI: 10.7270/Q2WS8TB2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50302960
PNG
((R)-3-amino-1-((S)-2-(3-(pyrrolidin-1-yl)-1,2,4-ox...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)N1CCCC1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H24F3N5O2/c21-14-11-16(23)15(22)9-12(14)8-13(24)10-18(29)28-7-3-4-17(28)19-25-20(26-30-19)27-5-1-2-6-27/h9,11,13,17H,1-8,10,24H2/t13-,17+/m1/s1
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Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 transfected in Pichia methanolica expression system after 10 mins by continuous fluorimetric assay


Bioorg Med Chem Lett 19: 6340-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.078
BindingDB Entry DOI: 10.7270/Q2WS8TB2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50296780
PNG
(6-((((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)b...)
Show SMILES CN(C[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)c1ccc(cn1)C#N
Show InChI InChI=1S/C22H24F3N5O/c1-29(21-5-4-14(11-26)12-28-21)13-17-3-2-6-30(17)22(31)9-16(27)7-15-8-19(24)20(25)10-18(15)23/h4-5,8,10,12,16-17H,2-3,6-7,9,13,27H2,1H3/t16-,17+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 19: 4818-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.036
BindingDB Entry DOI: 10.7270/Q20865B6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50296766
PNG
(CHEMBL557723 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)C1CCCC1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H28F3N3O2/c22-17-11-19(24)18(23)9-14(17)8-15(25)10-20(28)27-7-3-6-16(27)12-26-21(29)13-4-1-2-5-13/h9,11,13,15-16H,1-8,10,12,25H2,(H,26,29)/t15-,16+/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 19: 4818-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.036
BindingDB Entry DOI: 10.7270/Q20865B6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50302962
PNG
((R)-1-((S)-2-(3-(1-acetylazetidin-3-yl)-1,2,4-oxad...)
Show SMILES CC(=O)N1CC(C1)c1noc(n1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H24F3N5O3/c1-11(30)28-9-13(10-28)20-26-21(32-27-20)18-3-2-4-29(18)19(31)7-14(25)5-12-6-16(23)17(24)8-15(12)22/h6,8,13-14,18H,2-5,7,9-10,25H2,1H3/t14-,18+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 transfected in Pichia methanolica expression system after 10 mins by continuous fluorimetric assay


Bioorg Med Chem Lett 19: 6340-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.078
BindingDB Entry DOI: 10.7270/Q2WS8TB2
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM12074
PNG
((2R)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-3-m...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m1/s1
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PubMed
n/an/a 5n/an/an/an/a7.025



Istituto di Cristallografia



Assay Description
Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...


J Med Chem 49: 923-31 (2006)


Article DOI: 10.1021/jm050787+
BindingDB Entry DOI: 10.7270/Q2348HM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50296776
PNG
((R)-3-amino-1-((S)-2-((pyrimidin-2-ylamino)methyl)...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNc1ncccn1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H22F3N5O/c20-15-10-17(22)16(21)8-12(15)7-13(23)9-18(28)27-6-1-3-14(27)11-26-19-24-4-2-5-25-19/h2,4-5,8,10,13-14H,1,3,6-7,9,11,23H2,(H,24,25,26)/t13-,14+/m1/s1
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n/an/a 5.40n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 19: 4818-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.036
BindingDB Entry DOI: 10.7270/Q20865B6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50296756
PNG
(CHEMBL559602 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNS(=O)(=O)CC(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C17H21F6N3O3S/c18-13-7-15(20)14(19)5-10(13)4-11(24)6-16(27)26-3-1-2-12(26)8-25-30(28,29)9-17(21,22)23/h5,7,11-12,25H,1-4,6,8-9,24H2/t11-,12+/m1/s1
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n/an/a 5.60n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 19: 4818-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.036
BindingDB Entry DOI: 10.7270/Q20865B6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50296763
PNG
(CHEMBL557860 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...)
Show SMILES CC(F)(F)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C18H22F5N3O2/c1-18(22,23)17(28)25-9-12-3-2-4-26(12)16(27)7-11(24)5-10-6-14(20)15(21)8-13(10)19/h6,8,11-12H,2-5,7,9,24H2,1H3,(H,25,28)/t11-,12+/m1/s1
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n/an/a 5.90n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 19: 4818-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.036
BindingDB Entry DOI: 10.7270/Q20865B6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50296771
PNG
((R)-3-amino-1-((S)-2-((2-(trifluoromethyl)pyrimidi...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1COc1ccnc(n1)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H20F6N4O2/c21-14-9-16(23)15(22)7-11(14)6-12(27)8-18(31)30-5-1-2-13(30)10-32-17-3-4-28-19(29-17)20(24,25)26/h3-4,7,9,12-13H,1-2,5-6,8,10,27H2/t12-,13+/m1/s1
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n/an/a 6.10n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 19: 4818-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.036
BindingDB Entry DOI: 10.7270/Q20865B6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50296764
PNG
(CHEMBL558323 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...)
Show SMILES CC(C)(F)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H25F4N3O2/c1-19(2,23)18(28)25-10-13-4-3-5-26(13)17(27)8-12(24)6-11-7-15(21)16(22)9-14(11)20/h7,9,12-13H,3-6,8,10,24H2,1-2H3,(H,25,28)/t12-,13+/m1/s1
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PubMed
n/an/a 6.30n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 19: 4818-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.036
BindingDB Entry DOI: 10.7270/Q20865B6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50296778
PNG
((R)-3-amino-1-((S)-2-((5-fluoropyridin-2-ylamino)m...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNc1ccc(F)cn1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H22F4N4O/c21-13-3-4-19(26-10-13)27-11-15-2-1-5-28(15)20(29)8-14(25)6-12-7-17(23)18(24)9-16(12)22/h3-4,7,9-10,14-15H,1-2,5-6,8,11,25H2,(H,26,27)/t14-,15+/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 19: 4818-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.036
BindingDB Entry DOI: 10.7270/Q20865B6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50296760
PNG
(CHEMBL550321 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...)
Show SMILES CN(C[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(=O)C(C)(C)C
Show InChI InChI=1S/C21H30F3N3O2/c1-21(2,3)20(29)26(4)12-15-6-5-7-27(15)19(28)10-14(25)8-13-9-17(23)18(24)11-16(13)22/h9,11,14-15H,5-8,10,12,25H2,1-4H3/t14-,15+/m1/s1
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n/an/a 6.80n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 19: 4818-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.036
BindingDB Entry DOI: 10.7270/Q20865B6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50302955
PNG
((R)-3-amino-1-((S)-2-(3-cyclopropyl-1,2,4-oxadiazo...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)C1CC1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H21F3N4O2/c20-13-9-15(22)14(21)7-11(13)6-12(23)8-17(27)26-5-1-2-16(26)19-24-18(25-28-19)10-3-4-10/h7,9-10,12,16H,1-6,8,23H2/t12-,16+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 transfected in Pichia methanolica expression system after 10 mins by continuous fluorimetric assay


Bioorg Med Chem Lett 19: 6340-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.078
BindingDB Entry DOI: 10.7270/Q2WS8TB2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50296775
PNG
((R)-3-amino-1-((S)-2-((5-fluoropyrimidin-2-ylamino...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNc1ncc(F)cn1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H21F4N5O/c20-12-8-25-19(26-9-12)27-10-14-2-1-3-28(14)18(29)6-13(24)4-11-5-16(22)17(23)7-15(11)21/h5,7-9,13-14H,1-4,6,10,24H2,(H,25,26,27)/t13-,14+/m1/s1
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n/an/a 7.10n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 19: 4818-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.036
BindingDB Entry DOI: 10.7270/Q20865B6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50296759
PNG
(CHEMBL559601 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...)
Show SMILES CN(C[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(=O)C(C)(F)F
Show InChI InChI=1S/C19H24F5N3O2/c1-19(23,24)18(29)26(2)10-13-4-3-5-27(13)17(28)8-12(25)6-11-7-15(21)16(22)9-14(11)20/h7,9,12-13H,3-6,8,10,25H2,1-2H3/t12-,13+/m1/s1
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n/an/a 7.80n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 19: 4818-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.036
BindingDB Entry DOI: 10.7270/Q20865B6
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM12076
PNG
((2R)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-N-h...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(=O)NO
Show InChI InChI=1S/C17H19BrN2O4S/c1-11(2)16(17(21)19-22)20-25(23,24)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,20,22H,1-2H3,(H,19,21)/t16-/m1/s1
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PubMed
n/an/a 8n/an/an/an/a6.025



Istituto di Cristallografia



Assay Description
Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...


J Med Chem 49: 923-31 (2006)


Article DOI: 10.1021/jm050787+
BindingDB Entry DOI: 10.7270/Q2348HM7
More data for this
Ligand-Target Pair
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