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Compile Data Set for Download or QSAR

Found 8 hits of ki for UniProtKB: P97821   
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 1


(Mus musculus)
BDBM50147181
PNG
(3-{[1-(2-Amino-acetylamino)-3-methyl-butyl]-hydrox...)
Show SMILES CC(C)CC(NC(=O)CN)P(O)(=O)CCC(O)=O
Show InChI InChI=1S/C10H21N2O5P/c1-7(2)5-9(12-8(13)6-11)18(16,17)4-3-10(14)15/h7,9H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)
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3.90E+4n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit cathepsin C (Dipeptidyl peptidase I) in non competitive binding assay


Bioorg Med Chem Lett 14: 3113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.028
BindingDB Entry DOI: 10.7270/Q26Q1XT1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Mus musculus)
BDBM50147182
PNG
(3-{[1-(2-Amino-acetylamino)-3-methyl-butyl]-hydrox...)
Show SMILES COC(=O)CCP(O)(=O)C(CC(C)C)NC(=O)CN
Show InChI InChI=1S/C11H23N2O5P/c1-8(2)6-10(13-9(14)7-12)19(16,17)5-4-11(15)18-3/h8,10H,4-7,12H2,1-3H3,(H,13,14)(H,16,17)
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4.00E+4n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit cathepsin C (Dipeptidyl peptidase I) in non competitive binding assay


Bioorg Med Chem Lett 14: 3113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.028
BindingDB Entry DOI: 10.7270/Q26Q1XT1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Mus musculus)
BDBM50147183
PNG
(3-{[(2-Amino-acetylamino)-phenyl-methyl]-hydroxy-p...)
Show SMILES NCC(=O)NC(c1ccccc1)P(O)(=O)CCC(O)=O
Show InChI InChI=1S/C12H17N2O5P/c13-8-10(15)14-12(9-4-2-1-3-5-9)20(18,19)7-6-11(16)17/h1-5,12H,6-8,13H2,(H,14,15)(H,16,17)(H,18,19)
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1.76E+5n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit cathepsin C (Dipeptidyl peptidase I) in non competitive binding assay


Bioorg Med Chem Lett 14: 3113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.028
BindingDB Entry DOI: 10.7270/Q26Q1XT1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Mus musculus)
BDBM50147185
PNG
(3-{[1-(2-Amino-acetylamino)-3-phenyl-propyl]-hydro...)
Show SMILES NCC(=O)NC(CCc1ccccc1)P(O)(=O)CCC(O)=O
Show InChI InChI=1S/C14H21N2O5P/c15-10-12(17)16-13(22(20,21)9-8-14(18)19)7-6-11-4-2-1-3-5-11/h1-5,13H,6-10,15H2,(H,16,17)(H,18,19)(H,20,21)
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1.87E+5n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit cathepsin C (Dipeptidyl peptidase I) in non competitive binding assay


Bioorg Med Chem Lett 14: 3113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.028
BindingDB Entry DOI: 10.7270/Q26Q1XT1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Mus musculus)
BDBM50147180
PNG
(3-{[(2-Amino-acetylamino)-phenyl-methyl]-hydroxy-p...)
Show SMILES COC(=O)CCP(O)(=O)C(NC(=O)CN)c1ccccc1
Show InChI InChI=1S/C13H19N2O5P/c1-20-12(17)7-8-21(18,19)13(15-11(16)9-14)10-5-3-2-4-6-10/h2-6,13H,7-9,14H2,1H3,(H,15,16)(H,18,19)
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1.88E+5n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit cathepsin C (Dipeptidyl peptidase I) in non competitive binding assay


Bioorg Med Chem Lett 14: 3113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.028
BindingDB Entry DOI: 10.7270/Q26Q1XT1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Mus musculus)
BDBM50147184
PNG
(3-{[1-(2-Amino-acetylamino)-3-phenyl-propyl]-hydro...)
Show SMILES COC(=O)CCP(O)(=O)C(CCc1ccccc1)NC(=O)CN
Show InChI InChI=1S/C15H23N2O5P/c1-22-15(19)9-10-23(20,21)14(17-13(18)11-16)8-7-12-5-3-2-4-6-12/h2-6,14H,7-11,16H2,1H3,(H,17,18)(H,20,21)
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3.12E+5n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit cathepsin C (Dipeptidyl peptidase I) in non competitive binding assay


Bioorg Med Chem Lett 14: 3113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.028
BindingDB Entry DOI: 10.7270/Q26Q1XT1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Mus musculus)
BDBM50147187
PNG
(3-{[1-(2-Amino-acetylamino)-2-phenyl-ethyl]-hydrox...)
Show SMILES NCC(=O)NC(Cc1ccccc1)P(O)(=O)CCC(O)=O
Show InChI InChI=1S/C13H19N2O5P/c14-9-11(16)15-12(8-10-4-2-1-3-5-10)21(19,20)7-6-13(17)18/h1-5,12H,6-9,14H2,(H,15,16)(H,17,18)(H,19,20)
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PubMed
4.29E+5n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit cathepsin C (Dipeptidyl peptidase I) in non competitive binding assay


Bioorg Med Chem Lett 14: 3113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.028
BindingDB Entry DOI: 10.7270/Q26Q1XT1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Mus musculus)
BDBM50147186
PNG
(3-{[1-(2-Amino-acetylamino)-2-phenyl-ethyl]-hydrox...)
Show SMILES COC(=O)CCP(O)(=O)C(Cc1ccccc1)NC(=O)CN
Show InChI InChI=1S/C14H21N2O5P/c1-21-14(18)7-8-22(19,20)13(16-12(17)10-15)9-11-5-3-2-4-6-11/h2-6,13H,7-10,15H2,1H3,(H,16,17)(H,19,20)
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PubMed
5.14E+5n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit cathepsin C (Dipeptidyl peptidase I) in non competitive binding assay


Bioorg Med Chem Lett 14: 3113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.028
BindingDB Entry DOI: 10.7270/Q26Q1XT1
More data for this
Ligand-Target Pair