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9 similar compounds to monomer 11113

Compile data set for download or QSAR
Wt: 273.3
BDBM50129937
Wt: 326.3
BDBM50129902
Wt: 341.3
BDBM50129911
Wt: 316.3
BDBM50129918
Wt: 298.3
BDBM50129873
Wt: 352.4
BDBM50129884
Wt: 312.3
BDBM50129894
Wt: 316.3
BDBM50377933
Wt: 312.3
BDBM50434179

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50129937,50129902,50129911,50129918,50129873,50129884,50129894,50377933,50434179   
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 4


(Homo sapiens (Human))
BDBM50129873
PNG
(6-{2-[2-(2-Cyano-pyrrolidin-1-yl)-2-oxo-ethylamino...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1CCC[C@@H]1C#N
Show InChI InChI=1S/C15H18N6O/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20)/t13-/m1/s1
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n/an/a 1.17E+3n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells


J Med Chem 46: 2774-89 (2003)


Article DOI: 10.1021/jm030091l
BindingDB Entry DOI: 10.7270/Q20001HR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50129884
PNG
(6-{4-[2-(2-Cyano-pyrrolidin-1-yl)-2-oxo-ethylamino...)
Show SMILES O=C(CNC1CC[C@@H](CC1)Nc1ccc(cn1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H24N6O/c20-10-14-3-8-18(23-12-14)24-16-6-4-15(5-7-16)22-13-19(26)25-9-1-2-17(25)11-21/h3,8,12,15-17,22H,1-2,4-7,9,13H2,(H,23,24)/t15?,16-,17-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells


J Med Chem 46: 2774-89 (2003)


Article DOI: 10.1021/jm030091l
BindingDB Entry DOI: 10.7270/Q20001HR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50129894
PNG
(6-{3-[2-(2-Cyano-pyrrolidin-1-yl)-2-oxo-ethylamino...)
Show SMILES O=C(CNCCCNc1ccc(cn1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C16H20N6O/c17-9-13-4-5-15(21-11-13)20-7-2-6-19-12-16(23)22-8-1-3-14(22)10-18/h4-5,11,14,19H,1-3,6-8,12H2,(H,20,21)/t14-/m0/s1
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n/an/a 102n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells


J Med Chem 46: 2774-89 (2003)


Article DOI: 10.1021/jm030091l
BindingDB Entry DOI: 10.7270/Q20001HR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50129902
PNG
(6-{2-[2-(2-Cyano-pyrrolidin-1-yl)-2-oxo-ethylamino...)
Show SMILES CC(C)(CNc1ccc(cn1)C#N)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H22N6O/c1-17(2,12-21-15-6-5-13(8-18)10-20-15)22-11-16(24)23-7-3-4-14(23)9-19/h5-6,10,14,22H,3-4,7,11-12H2,1-2H3,(H,20,21)/t14-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells


J Med Chem 46: 2774-89 (2003)


Article DOI: 10.1021/jm030091l
BindingDB Entry DOI: 10.7270/Q20001HR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50377933
PNG
(CHEMBL1744354)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNCCNc1ccc(cn1)C#N
Show InChI InChI=1S/C15H17FN6O/c16-12-5-13(7-18)22(10-12)15(23)9-19-3-4-20-14-2-1-11(6-17)8-21-14/h1-2,8,12-13,19H,3-5,9-10H2,(H,20,21)/t12-,13-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50129918
PNG
(1-{2-[2-(5-Cyano-pyridin-2-ylamino)-ethylamino]-ac...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)CNCCNc1ccc(cn1)C#N
Show InChI InChI=1S/C15H20N6O2/c16-8-11-3-4-13(20-9-11)19-6-5-18-10-14(22)21-7-1-2-12(21)15(17)23/h3-4,9,12,18H,1-2,5-7,10H2,(H2,17,23)(H,19,20)/t12-/m0/s1
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n/an/a 4.34E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells


J Med Chem 46: 2774-89 (2003)


Article DOI: 10.1021/jm030091l
BindingDB Entry DOI: 10.7270/Q20001HR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50129937
PNG
(1-{2-[2-(Pyridin-2-ylamino)-ethylamino]-acetyl}-py...)
Show SMILES O=C(CNCCNc1ccccn1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C14H19N5O/c15-10-12-4-3-9-19(12)14(20)11-16-7-8-18-13-5-1-2-6-17-13/h1-2,5-6,12,16H,3-4,7-9,11H2,(H,17,18)/t12-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells


J Med Chem 46: 2774-89 (2003)


Article DOI: 10.1021/jm030091l
BindingDB Entry DOI: 10.7270/Q20001HR
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50434179
PNG
(CHEMBL2385290)
Show SMILES O=C(CNc1ccc(cn1)C#N)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C15H16N6O2/c16-6-11-3-4-13(18-8-11)19-9-14(22)20-10-15(23)21-5-1-2-12(21)7-17/h3-4,8,12H,1-2,5,9-10H2,(H,18,19)(H,20,22)/t12-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substra...


Citation and Details

Article DOI: 10.1021/ml300410d
BindingDB Entry DOI: 10.7270/Q2KP83J7
More data for this
Ligand-Target Pair
Fibroblast activation protein (FAP)


(Mus musculus (Mouse))
BDBM50434179
PNG
(CHEMBL2385290)
Show SMILES O=C(CNc1ccc(cn1)C#N)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C15H16N6O2/c16-6-11-3-4-13(18-8-11)19-9-14(22)20-10-15(23)21-5-1-2-12(21)7-17/h3-4,8,12H,1-2,5,9-10H2,(H,18,19)(H,20,22)/t12-/m0/s1
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n/an/a 1.18E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...


Citation and Details

Article DOI: 10.1021/ml300410d
BindingDB Entry DOI: 10.7270/Q2KP83J7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50129911
PNG
(1-{2-[2-(5-Trifluoromethyl-pyridin-2-ylamino)-ethy...)
Show SMILES FC(F)(F)c1ccc(NCCNCC(=O)N2CCC[C@H]2C#N)nc1
Show InChI InChI=1S/C15H18F3N5O/c16-15(17,18)11-3-4-13(22-9-11)21-6-5-20-10-14(24)23-7-1-2-12(23)8-19/h3-4,9,12,20H,1-2,5-7,10H2,(H,21,22)/t12-/m0/s1
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n/an/a 83n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells


J Med Chem 46: 2774-89 (2003)


Article DOI: 10.1021/jm030091l
BindingDB Entry DOI: 10.7270/Q20001HR
More data for this
Ligand-Target Pair