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Compile Data Set for Download or QSAR

Found 7 hits of ic50 for UniProtKB: E1BI31   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 9


(Bos taurus)
BDBM50225437
PNG
((2S,3R)-2-amino-1-(isoindolin-2-yl)-3-methylpentan...)
Show SMILES CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C14H20N2O/c1-3-10(2)13(15)14(17)16-8-11-6-4-5-7-12(11)9-16/h4-7,10,13H,3,8-9,15H2,1-2H3/t10-,13+/m1/s1
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n/an/a 290n/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Inhibition of bovine DPP9


Eur J Med Chem 139: 482-491 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.024
BindingDB Entry DOI: 10.7270/Q25B050P
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Bos taurus)
BDBM11695
PNG
((2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}p...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4|
Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1
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n/an/a 680n/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Inhibition of bovine DPP9


Eur J Med Chem 139: 482-491 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.024
BindingDB Entry DOI: 10.7270/Q25B050P
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Bos taurus)
BDBM11464
PNG
((2S,3S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)p...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N1CCSC1 |r|
Show InChI InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Inhibition of bovine DPP9


Eur J Med Chem 139: 482-491 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.024
BindingDB Entry DOI: 10.7270/Q25B050P
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Bos taurus)
BDBM50178428
PNG
((S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)butan-1-on...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C9H18N2O/c1-7(2)8(10)9(12)11-5-3-4-6-11/h7-8H,3-6,10H2,1-2H3/t8-/m0/s1
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n/an/a 1.13E+4n/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Inhibition of bovine DPP9


Eur J Med Chem 139: 482-491 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.024
BindingDB Entry DOI: 10.7270/Q25B050P
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Bos taurus)
BDBM50146972
PNG
((S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1...)
Show SMILES N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C16H24ClN3O/c17-14-6-4-13(5-7-14)12-19-9-8-15(18)16(21)20-10-2-1-3-11-20/h4-7,15,19H,1-3,8-12,18H2/t15-/m0/s1
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PubMed
n/an/a 7.66E+4n/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Inhibition of bovine DPP9


Eur J Med Chem 139: 482-491 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.024
BindingDB Entry DOI: 10.7270/Q25B050P
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Bos taurus)
BDBM11162
PNG
((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Inhibition of bovine DPP9


Eur J Med Chem 139: 482-491 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.024
BindingDB Entry DOI: 10.7270/Q25B050P
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Bos taurus)
BDBM50228403
PNG
((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Inhibition of bovine DPP9


Eur J Med Chem 139: 482-491 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.024
BindingDB Entry DOI: 10.7270/Q25B050P
More data for this
Ligand-Target Pair