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PubMed code 26372650

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
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
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
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
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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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research-Ahmedabad

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-4 using Gly-pro-p-nitroanilide as substrate assessed as formation of p-nitroaniline after 30 mins by colorimetric...


Bioorg Med Chem Lett 25: 4428-33 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.015
BindingDB Entry DOI: 10.7270/Q2XP76RW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50120499
PNG
(CHEMBL3618038)
Show SMILES Cc1ccnc(c1)-n1c(C)nc2n(ncc2c1=O)-c1ccccc1
Show InChI InChI=1S/C18H15N5O/c1-12-8-9-19-16(10-12)22-13(2)21-17-15(18(22)24)11-20-23(17)14-6-4-3-5-7-14/h3-11H,1-2H3
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PubMed
n/an/a 1.06E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research-Ahmedabad

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-4 using Gly-pro-p-nitroanilide as substrate assessed as formation of p-nitroaniline after 30 mins by colorimetric...


Bioorg Med Chem Lett 25: 4428-33 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.015
BindingDB Entry DOI: 10.7270/Q2XP76RW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50120495
PNG
(CHEMBL3618140)
Show SMILES Fc1ccc(NC(=O)c2cnn(c2NC(=O)C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C18H12F4N4O2/c19-11-6-8-12(9-7-11)24-16(27)14-10-23-26(13-4-2-1-3-5-13)15(14)25-17(28)18(20,21)22/h1-10H,(H,24,27)(H,25,28)
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n/an/a 1.25E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research-Ahmedabad

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-4 using Gly-pro-p-nitroanilide as substrate assessed as formation of p-nitroaniline after 30 mins by colorimetric...


Bioorg Med Chem Lett 25: 4428-33 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.015
BindingDB Entry DOI: 10.7270/Q2XP76RW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50120506
PNG
(CHEMBL3618032)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c(C)nc2n(ncc2c1=O)-c1ccccc1
Show InChI InChI=1S/C21H20N4O/c1-13-10-14(2)19(15(3)11-13)24-16(4)23-20-18(21(24)26)12-22-25(20)17-8-6-5-7-9-17/h5-12H,1-4H3
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n/an/a 1.32E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research-Ahmedabad

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-4 using Gly-pro-p-nitroanilide as substrate assessed as formation of p-nitroaniline after 30 mins by colorimetric...


Bioorg Med Chem Lett 25: 4428-33 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.015
BindingDB Entry DOI: 10.7270/Q2XP76RW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50120497
PNG
(CHEMBL3618134)
Show SMILES COc1ccc(cc1)-n1ncc2c1nc(C)n(-c1cc(C)ccn1)c2=O
Show InChI InChI=1S/C19H17N5O2/c1-12-8-9-20-17(10-12)23-13(2)22-18-16(19(23)25)11-21-24(18)14-4-6-15(26-3)7-5-14/h4-11H,1-3H3
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PubMed
n/an/a 2.23E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research-Ahmedabad

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-4 using Gly-pro-p-nitroanilide as substrate assessed as formation of p-nitroaniline after 30 mins by colorimetric...


Bioorg Med Chem Lett 25: 4428-33 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.015
BindingDB Entry DOI: 10.7270/Q2XP76RW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50120501
PNG
(CHEMBL3618036)
Show SMILES Cc1nc2n(ncc2c(=O)n1-c1ccccn1)-c1ccccc1
Show InChI InChI=1S/C17H13N5O/c1-12-20-16-14(11-19-22(16)13-7-3-2-4-8-13)17(23)21(12)15-9-5-6-10-18-15/h2-11H,1H3
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PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research-Ahmedabad

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-4 using Gly-pro-p-nitroanilide as substrate assessed as formation of p-nitroaniline after 30 mins by colorimetric...


Bioorg Med Chem Lett 25: 4428-33 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.015
BindingDB Entry DOI: 10.7270/Q2XP76RW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50120498
PNG
(CHEMBL3618039)
Show SMILES Cc1nc2n(ncc2c(=O)n1-c1ccc(Br)cn1)-c1ccccc1
Show InChI InChI=1S/C17H12BrN5O/c1-11-21-16-14(10-20-23(16)13-5-3-2-4-6-13)17(24)22(11)15-8-7-12(18)9-19-15/h2-10H,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research-Ahmedabad

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-4 using Gly-pro-p-nitroanilide as substrate assessed as formation of p-nitroaniline after 30 mins by colorimetric...


Bioorg Med Chem Lett 25: 4428-33 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.015
BindingDB Entry DOI: 10.7270/Q2XP76RW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50120500
PNG
(CHEMBL3618037)
Show SMILES Cc1nc2n(ncc2c(=O)n1-c1ncccn1)-c1ccccc1
Show InChI InChI=1S/C16H12N6O/c1-11-20-14-13(10-19-22(14)12-6-3-2-4-7-12)15(23)21(11)16-17-8-5-9-18-16/h2-10H,1H3
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n/an/a 2.40E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research-Ahmedabad

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-4 using Gly-pro-p-nitroanilide as substrate assessed as formation of p-nitroaniline after 30 mins by colorimetric...


Bioorg Med Chem Lett 25: 4428-33 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.015
BindingDB Entry DOI: 10.7270/Q2XP76RW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50120496
PNG
(CHEMBL3618137)
Show SMILES COc1ccc(cc1)-n1ncc2c1nc(C)n(-c1nc(cs1)-c1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C22H16ClN5O2S/c1-13-25-20-18(11-24-28(20)16-7-9-17(30-2)10-8-16)21(29)27(13)22-26-19(12-31-22)14-3-5-15(23)6-4-14/h3-12H,1-2H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research-Ahmedabad

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-4 using Gly-pro-p-nitroanilide as substrate assessed as formation of p-nitroaniline after 30 mins by colorimetric...


Bioorg Med Chem Lett 25: 4428-33 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.015
BindingDB Entry DOI: 10.7270/Q2XP76RW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%