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Compile Data Set for Download or QSAR

Found 16 hits from Arpida A/S   
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 I


(Homo sapiens (Human))
BDBM50186088
PNG
((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Show SMILES CC[C@H](N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N
Show InChI InChI=1S/C19H21N3O/c1-2-18(21)19(23)22-17(13-20)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,17-18H,2,12,21H2,1H3,(H,22,23)/t17-,18-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Arpida A/S

Curated by ChEMBL


Assay Description
Inhibition of human DPP1


Bioorg Med Chem Lett 16: 3614-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.102
BindingDB Entry DOI: 10.7270/Q2639PC4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50186090
PNG
((S)-2-amino-N-((S)-2-(4-chlorophenyl)-1-cyanoethyl...)
Show SMILES CC[C@H](N)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C#N
Show InChI InChI=1S/C13H16ClN3O/c1-2-12(16)13(18)17-11(8-15)7-9-3-5-10(14)6-4-9/h3-6,11-12H,2,7,16H2,1H3,(H,17,18)/t11-,12-/m0/s1
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n/an/a 96n/an/an/an/an/an/a



Arpida A/S

Curated by ChEMBL


Assay Description
Inhibition of human DPP1


Bioorg Med Chem Lett 16: 3614-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.102
BindingDB Entry DOI: 10.7270/Q2639PC4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50186089
PNG
((S)-2-amino-N-((S,E)-1-cyano-4-phenylbut-3-enyl)bu...)
Show SMILES CC[C@H](N)C(=O)N[C@@H](C\C=C\c1ccccc1)C#N
Show InChI InChI=1S/C15H19N3O/c1-2-14(17)15(19)18-13(11-16)10-6-9-12-7-4-3-5-8-12/h3-9,13-14H,2,10,17H2,1H3,(H,18,19)/b9-6+/t13-,14-/m0/s1
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n/an/a 137n/an/an/an/an/an/a



Arpida A/S

Curated by ChEMBL


Assay Description
Inhibition of human DPP1


Bioorg Med Chem Lett 16: 3614-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.102
BindingDB Entry DOI: 10.7270/Q2639PC4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50186091
PNG
((S)-2-amino-N-((S)-1-cyano-2-phenylethyl)butanamid...)
Show SMILES CC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C#N
Show InChI InChI=1S/C13H17N3O/c1-2-12(15)13(17)16-11(9-14)8-10-6-4-3-5-7-10/h3-7,11-12H,2,8,15H2,1H3,(H,16,17)/t11-,12-/m0/s1
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n/an/a 172n/an/an/an/an/an/a



Arpida A/S

Curated by ChEMBL


Assay Description
Inhibition of human DPP1


Bioorg Med Chem Lett 16: 3614-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.102
BindingDB Entry DOI: 10.7270/Q2639PC4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50186087
PNG
((2S)-2-amino-N-(1-cyano-2-phenylethyl)-3-phenylpro...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccccc1)C#N
Show InChI InChI=1S/C18H19N3O/c19-13-16(11-14-7-3-1-4-8-14)21-18(22)17(20)12-15-9-5-2-6-10-15/h1-10,16-17H,11-12,20H2,(H,21,22)/t16?,17-/m0/s1
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n/an/a 418n/an/an/an/an/an/a



Arpida A/S

Curated by ChEMBL


Assay Description
Inhibition of human DPP1


Bioorg Med Chem Lett 16: 3614-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.102
BindingDB Entry DOI: 10.7270/Q2639PC4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50186093
PNG
((S)-2-amino-N-((S)-1-cyano-3-phenylpropyl)butanami...)
Show SMILES CC[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C#N
Show InChI InChI=1S/C14H19N3O/c1-2-13(16)14(18)17-12(10-15)9-8-11-6-4-3-5-7-11/h3-7,12-13H,2,8-9,16H2,1H3,(H,17,18)/t12-,13-/m0/s1
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n/an/a 822n/an/an/an/an/an/a



Arpida A/S

Curated by ChEMBL


Assay Description
Inhibition of human DPP1


Bioorg Med Chem Lett 16: 3614-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.102
BindingDB Entry DOI: 10.7270/Q2639PC4
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50186088
PNG
((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Show SMILES CC[C@H](N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N
Show InChI InChI=1S/C19H21N3O/c1-2-18(21)19(23)22-17(13-20)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,17-18H,2,12,21H2,1H3,(H,22,23)/t17-,18-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Arpida A/S

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 16: 3614-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.102
BindingDB Entry DOI: 10.7270/Q2639PC4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50186094
PNG
((S)-2-amino-N-(1-cyano-2-phenylethyl)acetamide | C...)
Show SMILES NCC(=O)N[C@@H](Cc1ccccc1)C#N
Show InChI InChI=1S/C11H13N3O/c12-7-10(14-11(15)8-13)6-9-4-2-1-3-5-9/h1-5,10H,6,8,13H2,(H,14,15)/t10-/m0/s1
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n/an/a 4.79E+3n/an/an/an/an/an/a



Arpida A/S

Curated by ChEMBL


Assay Description
Inhibition of human DPP1


Bioorg Med Chem Lett 16: 3614-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.102
BindingDB Entry DOI: 10.7270/Q2639PC4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50186092
PNG
((S)-N-((S)-1-cyano-2-phenylethyl)pyrrolidine-2-car...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C#N)[C@@H]1CCCN1
Show InChI InChI=1S/C14H17N3O/c15-10-12(9-11-5-2-1-3-6-11)17-14(18)13-7-4-8-16-13/h1-3,5-6,12-13,16H,4,7-9H2,(H,17,18)/t12-,13-/m0/s1
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n/an/a 9.64E+3n/an/an/an/an/an/a



Arpida A/S

Curated by ChEMBL


Assay Description
Inhibition of human DPP1


Bioorg Med Chem Lett 16: 3614-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.102
BindingDB Entry DOI: 10.7270/Q2639PC4
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50186088
PNG
((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Show SMILES CC[C@H](N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N
Show InChI InChI=1S/C19H21N3O/c1-2-18(21)19(23)22-17(13-20)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,17-18H,2,12,21H2,1H3,(H,22,23)/t17-,18-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Arpida A/S

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin L


Bioorg Med Chem Lett 16: 3614-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.102
BindingDB Entry DOI: 10.7270/Q2639PC4
More data for this
Ligand-Target Pair
Cathepsin (H and K)


(Homo sapiens)
BDBM50186088
PNG
((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Show SMILES CC[C@H](N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N
Show InChI InChI=1S/C19H21N3O/c1-2-18(21)19(23)22-17(13-20)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,17-18H,2,12,21H2,1H3,(H,22,23)/t17-,18-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Arpida A/S

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin H


Bioorg Med Chem Lett 16: 3614-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.102
BindingDB Entry DOI: 10.7270/Q2639PC4
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50186088
PNG
((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Show SMILES CC[C@H](N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N
Show InChI InChI=1S/C19H21N3O/c1-2-18(21)19(23)22-17(13-20)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,17-18H,2,12,21H2,1H3,(H,22,23)/t17-,18-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Arpida A/S

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin B


Bioorg Med Chem Lett 16: 3614-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.102
BindingDB Entry DOI: 10.7270/Q2639PC4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50186088
PNG
((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Show SMILES CC[C@H](N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N
Show InChI InChI=1S/C19H21N3O/c1-2-18(21)19(23)22-17(13-20)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,17-18H,2,12,21H2,1H3,(H,22,23)/t17-,18-/m0/s1
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n/an/a 1.26E+4n/an/an/an/an/an/a



Arpida A/S

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 16: 3614-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.102
BindingDB Entry DOI: 10.7270/Q2639PC4
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50186088
PNG
((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Show SMILES CC[C@H](N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N
Show InChI InChI=1S/C19H21N3O/c1-2-18(21)19(23)22-17(13-20)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,17-18H,2,12,21H2,1H3,(H,22,23)/t17-,18-/m0/s1
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n/an/a 1.49E+4n/an/an/an/an/an/a



Arpida A/S

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 16: 3614-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.102
BindingDB Entry DOI: 10.7270/Q2639PC4
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50186088
PNG
((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Show SMILES CC[C@H](N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N
Show InChI InChI=1S/C19H21N3O/c1-2-18(21)19(23)22-17(13-20)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,17-18H,2,12,21H2,1H3,(H,22,23)/t17-,18-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Arpida A/S

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 16: 3614-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.102
BindingDB Entry DOI: 10.7270/Q2639PC4
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50186088
PNG
((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Show SMILES CC[C@H](N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N
Show InChI InChI=1S/C19H21N3O/c1-2-18(21)19(23)22-17(13-20)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,17-18H,2,12,21H2,1H3,(H,22,23)/t17-,18-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Arpida A/S

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 16: 3614-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.102
BindingDB Entry DOI: 10.7270/Q2639PC4
More data for this
Ligand-Target Pair