Found 77 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221971
((2S,3S)-3-(4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)c...)Show SMILES C[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)C1CCC(CC1)c1cccc2ncnn12 |wU:2.2,wD:1.0,(.48,-6.64,;.48,-8.18,;1.82,-8.95,;1.82,-10.49,;3.15,-8.18,;3.15,-6.64,;4.49,-8.95,;5.89,-8.33,;6.92,-9.48,;6.14,-10.81,;5.36,-12.14,;7.65,-11.13,;4.63,-10.49,;-.86,-8.95,;-.86,-10.5,;-2.19,-11.26,;-3.52,-10.5,;-3.52,-8.95,;-2.19,-8.18,;-4.85,-11.27,;-6.18,-10.5,;-7.51,-11.27,;-7.51,-12.81,;-6.17,-13.59,;-5.84,-15.09,;-4.31,-15.23,;-3.69,-13.82,;-4.85,-12.81,)| Show InChI InChI=1S/C20H27F2N5O/c1-13(18(23)19(28)26-10-9-20(21,22)11-26)14-5-7-15(8-6-14)16-3-2-4-17-24-12-25-27(16)17/h2-4,12-15,18H,5-11,23H2,1H3/t13-,14?,15?,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221979
((2S,3S)-2-((1r,4S)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@@H](CC1)c1cccc2ncnn12 |wU:6.6,16.22,wD:5.4,19.23,13.13,(21.85,6.14,;21.85,4.6,;20.52,3.82,;23.19,3.83,;24.52,4.61,;23.2,2.29,;24.53,1.53,;24.54,-.01,;25.86,2.3,;25.86,3.84,;27.2,1.54,;28.61,2.17,;29.64,1.03,;28.88,-.31,;29.51,-1.71,;27.37,.01,;21.86,1.52,;21.87,-.03,;20.53,-.8,;19.2,-.04,;19.2,1.51,;20.53,2.28,;17.86,-.8,;16.53,-.03,;15.2,-.8,;15.2,-2.34,;16.54,-3.12,;16.88,-4.62,;18.41,-4.77,;19.02,-3.36,;17.87,-2.34,)| Show InChI InChI=1S/C22H31FN6O2/c1-27(2)21(30)19(20(24)22(31)28-11-10-16(23)12-28)15-8-6-14(7-9-15)17-4-3-5-18-25-13-26-29(17)18/h3-5,13-16,19-20H,6-12,24H2,1-2H3/t14-,15-,16-,19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221968
((2S,3S)-2-((1r,4S)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)c1cccc2ncnn12 |wU:6.6,17.23,wD:20.24,5.4,(22.14,-9.02,;22.15,-10.56,;20.82,-11.33,;23.49,-11.32,;24.82,-10.55,;23.49,-12.86,;24.83,-13.63,;24.83,-15.17,;26.16,-12.85,;26.15,-11.31,;27.5,-13.62,;28.9,-12.98,;29.94,-14.12,;29.17,-15.46,;28.76,-16.94,;30.7,-15.68,;27.67,-15.15,;22.16,-13.64,;22.17,-15.19,;20.83,-15.95,;19.49,-15.19,;19.5,-13.64,;20.83,-12.87,;18.16,-15.96,;16.83,-15.18,;15.5,-15.95,;15.49,-17.49,;16.84,-18.27,;17.17,-19.77,;18.7,-19.92,;19.32,-18.51,;18.16,-17.49,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-11-10-22(23,24)12-29)15-8-6-14(7-9-15)16-4-3-5-17-26-13-27-30(16)17/h3-5,13-15,18-19H,6-12,25H2,1-2H3/t14-,15-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221972
((2S,3S)-2-(4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)p...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2ncnn2c1 |r| Show InChI InChI=1S/C22H25FN6O2/c1-27(2)21(30)19(20(24)22(31)28-10-9-17(23)12-28)15-5-3-14(4-6-15)16-7-8-18-25-13-26-29(18)11-16/h3-8,11,13,17,19-20H,9-10,12,24H2,1-2H3/t17-,19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221984
((2S,3S)-2-amino-1-(3,3-difluoropyrrolidin-1-yl)-3-...)Show SMILES C[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)C1CCC(CC1)c1cccnc1 |wU:2.2,wD:1.0,(21.02,4.01,;21.02,2.47,;22.36,1.7,;22.36,.16,;23.69,2.47,;23.69,4.01,;25.03,1.7,;26.43,2.32,;27.46,1.17,;26.68,-.16,;25.9,-1.49,;28.19,-.48,;25.17,.16,;19.68,1.7,;19.68,.15,;18.35,-.61,;17.02,.15,;17.02,1.7,;18.35,2.47,;15.69,-.62,;14.36,.14,;13.03,-.63,;13.03,-2.17,;14.37,-2.93,;15.69,-2.16,)| Show InChI InChI=1S/C19H27F2N3O/c1-13(17(22)18(25)24-10-8-19(20,21)12-24)14-4-6-15(7-5-14)16-3-2-9-23-11-16/h2-3,9,11,13-15,17H,4-8,10,12,22H2,1H3/t13-,14?,15?,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221970
((2S,3S)-2-((1r,4S)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)c1ccc2ncnn2c1 |wU:6.6,17.23,wD:20.24,5.4,(24.12,-9.73,;24.12,-11.27,;22.79,-12.05,;25.46,-12.04,;26.79,-11.26,;25.47,-13.58,;26.8,-14.34,;26.81,-15.88,;28.13,-13.57,;28.13,-12.03,;29.47,-14.33,;30.88,-13.7,;31.91,-14.84,;31.15,-16.18,;30.74,-17.66,;32.67,-16.4,;29.64,-15.86,;24.14,-14.35,;24.14,-15.9,;22.8,-16.67,;21.47,-15.9,;21.47,-14.36,;22.8,-13.59,;20.14,-16.67,;20.14,-18.21,;18.81,-18.98,;17.47,-18.21,;16,-18.69,;15.09,-17.44,;15.99,-16.18,;17.47,-16.66,;18.81,-15.9,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h7-8,11,13-15,18-19H,3-6,9-10,12,25H2,1-2H3/t14-,15-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221978
((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-2-...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)c1ccc(F)cc1 |wU:6.6,17.23,wD:5.4,20.24,(22.84,4.54,;22.85,3,;21.52,2.23,;24.19,2.24,;25.52,3.01,;24.19,.7,;25.53,-.07,;25.53,-1.61,;26.86,.71,;26.85,2.25,;28.2,-.06,;29.6,.57,;30.64,-.57,;29.87,-1.9,;29.46,-3.38,;31.4,-2.13,;28.37,-1.59,;22.86,-.08,;22.87,-1.63,;21.53,-2.4,;20.19,-1.63,;20.2,-.09,;21.53,.69,;18.86,-2.4,;17.53,-1.63,;16.2,-2.39,;16.19,-3.93,;14.86,-4.71,;17.54,-4.71,;18.86,-3.93,)| Show InChI InChI=1S/C22H30F3N3O2/c1-27(2)20(29)18(19(26)21(30)28-12-11-22(24,25)13-28)16-5-3-14(4-6-16)15-7-9-17(23)10-8-15/h7-10,14,16,18-19H,3-6,11-13,26H2,1-2H3/t14-,16-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221966
((2S,3S)-2-amino-1-((S)-3-fluoro-3-methylpyrrolidin...)Show SMILES C[C@H]([C@H](N)C(=O)N1CC[C@](C)(F)C1)C1CCC(CC1)c1ccc(F)cc1 |wU:9.9,2.2,wD:1.0,9.10,(-.16,4.94,;-.16,3.4,;1.18,2.63,;1.18,1.09,;2.51,3.4,;2.51,4.94,;3.86,2.63,;5.25,3.25,;6.28,2.1,;5.51,.77,;7.01,.45,;4.72,-.56,;4,1.09,;-1.5,2.63,;-1.5,1.08,;-2.82,.32,;-4.16,1.08,;-4.16,2.63,;-2.83,3.4,;-5.49,.31,;-6.82,1.08,;-8.15,.31,;-8.15,-1.23,;-9.48,-2.01,;-6.81,-2,;-5.48,-1.23,)| Show InChI InChI=1S/C21H30F2N2O/c1-14(19(24)20(26)25-12-11-21(2,23)13-25)15-3-5-16(6-4-15)17-7-9-18(22)10-8-17/h7-10,14-16,19H,3-6,11-13,24H2,1-2H3/t14-,15?,16?,19-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221967
((2S,3S)-3-amino-2-(4'-fluoro-biphenyl-4-yl)-4-((S)...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H25F2N3O2/c1-26(2)21(28)19(20(25)22(29)27-12-11-18(24)13-27)16-5-3-14(4-6-16)15-7-9-17(23)10-8-15/h3-10,18-20H,11-13,25H2,1-2H3/t18-,19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221982
(CHEMBL237547 | N-((1S,4r)-4-((2S,3S)-3-amino-4-((S...)Show SMILES C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@@H](CC1)NC(C)=O |wU:2.2,12.18,wD:1.0,15.19,9.9,(23.46,-31.67,;23.47,-33.21,;24.8,-33.97,;24.81,-35.51,;26.14,-33.2,;26.13,-31.66,;27.47,-33.96,;28.88,-33.33,;29.92,-34.47,;29.15,-35.81,;29.78,-37.21,;27.64,-35.49,;22.14,-33.98,;22.15,-35.52,;20.81,-36.29,;19.47,-35.52,;19.48,-33.98,;20.8,-33.21,;18.14,-34.75,;16.81,-35.52,;15.47,-34.74,;16.8,-37.06,)| Show InChI InChI=1S/C16H28FN3O2/c1-10(12-3-5-14(6-4-12)19-11(2)21)15(18)16(22)20-8-7-13(17)9-20/h10,12-15H,3-9,18H2,1-2H3,(H,19,21)/t10-,12-,13-,14-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221968
((2S,3S)-2-((1r,4S)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)c1cccc2ncnn12 |wU:6.6,17.23,wD:20.24,5.4,(22.14,-9.02,;22.15,-10.56,;20.82,-11.33,;23.49,-11.32,;24.82,-10.55,;23.49,-12.86,;24.83,-13.63,;24.83,-15.17,;26.16,-12.85,;26.15,-11.31,;27.5,-13.62,;28.9,-12.98,;29.94,-14.12,;29.17,-15.46,;28.76,-16.94,;30.7,-15.68,;27.67,-15.15,;22.16,-13.64,;22.17,-15.19,;20.83,-15.95,;19.49,-15.19,;19.5,-13.64,;20.83,-12.87,;18.16,-15.96,;16.83,-15.18,;15.5,-15.95,;15.49,-17.49,;16.84,-18.27,;17.17,-19.77,;18.7,-19.92,;19.32,-18.51,;18.16,-17.49,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-11-10-22(23,24)12-29)15-8-6-14(7-9-15)16-4-3-5-17-26-13-27-30(16)17/h3-5,13-15,18-19H,6-12,25H2,1-2H3/t14-,15-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 in presence of 50 % human serum |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221979
((2S,3S)-2-((1r,4S)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@@H](CC1)c1cccc2ncnn12 |wU:6.6,16.22,wD:5.4,19.23,13.13,(21.85,6.14,;21.85,4.6,;20.52,3.82,;23.19,3.83,;24.52,4.61,;23.2,2.29,;24.53,1.53,;24.54,-.01,;25.86,2.3,;25.86,3.84,;27.2,1.54,;28.61,2.17,;29.64,1.03,;28.88,-.31,;29.51,-1.71,;27.37,.01,;21.86,1.52,;21.87,-.03,;20.53,-.8,;19.2,-.04,;19.2,1.51,;20.53,2.28,;17.86,-.8,;16.53,-.03,;15.2,-.8,;15.2,-2.34,;16.54,-3.12,;16.88,-4.62,;18.41,-4.77,;19.02,-3.36,;17.87,-2.34,)| Show InChI InChI=1S/C22H31FN6O2/c1-27(2)21(30)19(20(24)22(31)28-11-10-16(23)12-28)15-8-6-14(7-9-15)17-4-3-5-18-25-13-26-29(17)18/h3-5,13-16,19-20H,6-12,24H2,1-2H3/t14-,15-,16-,19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 in presence of 50 % human serum |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221971
((2S,3S)-3-(4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)c...)Show SMILES C[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)C1CCC(CC1)c1cccc2ncnn12 |wU:2.2,wD:1.0,(.48,-6.64,;.48,-8.18,;1.82,-8.95,;1.82,-10.49,;3.15,-8.18,;3.15,-6.64,;4.49,-8.95,;5.89,-8.33,;6.92,-9.48,;6.14,-10.81,;5.36,-12.14,;7.65,-11.13,;4.63,-10.49,;-.86,-8.95,;-.86,-10.5,;-2.19,-11.26,;-3.52,-10.5,;-3.52,-8.95,;-2.19,-8.18,;-4.85,-11.27,;-6.18,-10.5,;-7.51,-11.27,;-7.51,-12.81,;-6.17,-13.59,;-5.84,-15.09,;-4.31,-15.23,;-3.69,-13.82,;-4.85,-12.81,)| Show InChI InChI=1S/C20H27F2N5O/c1-13(18(23)19(28)26-10-9-20(21,22)11-26)14-5-7-15(8-6-14)16-3-2-4-17-24-12-25-27(16)17/h2-4,12-15,18H,5-11,23H2,1H3/t13-,14?,15?,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 in presence of 50 % human serum |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221981
((2S,3S)-2-((1s,4R)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)c1ccc2ncnn2c1 |wU:6.6,17.23,20.24,wD:5.4,(1.5,-8.86,;1.51,-10.4,;.18,-11.17,;2.84,-11.16,;4.17,-10.39,;2.85,-12.7,;4.19,-13.47,;4.19,-15.01,;5.52,-12.69,;5.51,-11.15,;6.85,-13.46,;8.26,-12.83,;9.3,-13.97,;8.53,-15.3,;8.12,-16.78,;10.05,-15.53,;7.02,-14.99,;1.52,-13.48,;1.52,-15.03,;.18,-15.8,;-1.15,-15.03,;-1.15,-13.49,;.18,-12.72,;-2.48,-15.8,;-2.48,-17.33,;-3.81,-18.11,;-5.15,-17.34,;-6.62,-17.82,;-7.53,-16.57,;-6.62,-15.31,;-5.15,-15.79,;-3.81,-15.03,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h7-8,11,13-15,18-19H,3-6,9-10,12,25H2,1-2H3/t14-,15+,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221969
((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)C1CCc2ncnn2C1 |w:23.34,wU:6.6,17.23,wD:20.24,5.4,(25.99,-21.91,;25.99,-23.45,;24.66,-24.23,;27.33,-24.22,;28.66,-23.44,;27.33,-25.76,;28.67,-26.52,;28.68,-28.06,;30,-25.75,;29.99,-24.21,;31.34,-26.51,;32.75,-25.88,;33.78,-27.02,;33.02,-28.36,;32.6,-29.84,;34.54,-28.58,;31.51,-28.04,;26,-26.53,;26.01,-28.08,;24.67,-28.85,;23.34,-28.08,;23.34,-26.54,;24.67,-25.77,;22,-28.85,;22.01,-30.39,;20.68,-31.16,;19.34,-30.39,;17.87,-30.87,;16.95,-29.62,;17.86,-28.36,;19.33,-28.84,;20.67,-28.08,)| Show InChI InChI=1S/C22H34F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h13-16,18-19H,3-12,25H2,1-2H3/t14-,15-,16?,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221977
((2S,3S)-2-amino-3-(4'-fluoro-biphenyl-4-yl)-1-((S)...)Show SMILES C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H22F2N2O/c1-13(19(23)20(25)24-11-10-18(22)12-24)14-2-4-15(5-3-14)16-6-8-17(21)9-7-16/h2-9,13,18-19H,10-12,23H2,1H3/t13-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221973
((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-2-...)Show SMILES COc1cc(nc(OC)n1)[C@@H]1CC[C@@H](CC1)[C@@H]([C@H](N)C(=O)N1CCC(F)(F)C1)C(=O)N(C)C |wU:13.14,10.10,17.19,wD:16.30,(-5.4,-36.48,;-6.73,-35.72,;-6.74,-34.18,;-5.41,-33.4,;-5.41,-31.87,;-6.74,-31.1,;-8.08,-31.86,;-9.41,-31.09,;-9.41,-29.55,;-8.08,-33.4,;-4.08,-31.1,;-2.75,-31.87,;-1.41,-31.1,;-1.41,-29.55,;-2.75,-28.78,;-4.08,-29.56,;-.08,-28.77,;1.25,-29.54,;1.26,-31.08,;2.58,-28.76,;2.58,-27.22,;3.92,-29.53,;5.33,-28.9,;6.36,-30.04,;5.6,-31.37,;5.19,-32.85,;7.12,-31.6,;4.09,-31.06,;-.09,-27.23,;1.24,-26.46,;-1.43,-26.47,;-1.43,-24.93,;-2.76,-27.24,)| Show InChI InChI=1S/C22H33F2N5O4/c1-28(2)19(30)17(18(25)20(31)29-10-9-22(23,24)12-29)14-7-5-13(6-8-14)15-11-16(32-3)27-21(26-15)33-4/h11,13-14,17-18H,5-10,12,25H2,1-4H3/t13-,14+,17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221969
((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)C1CCc2ncnn2C1 |w:23.34,wU:6.6,17.23,wD:20.24,5.4,(25.99,-21.91,;25.99,-23.45,;24.66,-24.23,;27.33,-24.22,;28.66,-23.44,;27.33,-25.76,;28.67,-26.52,;28.68,-28.06,;30,-25.75,;29.99,-24.21,;31.34,-26.51,;32.75,-25.88,;33.78,-27.02,;33.02,-28.36,;32.6,-29.84,;34.54,-28.58,;31.51,-28.04,;26,-26.53,;26.01,-28.08,;24.67,-28.85,;23.34,-28.08,;23.34,-26.54,;24.67,-25.77,;22,-28.85,;22.01,-30.39,;20.68,-31.16,;19.34,-30.39,;17.87,-30.87,;16.95,-29.62,;17.86,-28.36,;19.33,-28.84,;20.67,-28.08,)| Show InChI InChI=1S/C22H34F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h13-16,18-19H,3-12,25H2,1-2H3/t14-,15-,16?,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 in presence of 50 % human serum |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221981
((2S,3S)-2-((1s,4R)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)c1ccc2ncnn2c1 |wU:6.6,17.23,20.24,wD:5.4,(1.5,-8.86,;1.51,-10.4,;.18,-11.17,;2.84,-11.16,;4.17,-10.39,;2.85,-12.7,;4.19,-13.47,;4.19,-15.01,;5.52,-12.69,;5.51,-11.15,;6.85,-13.46,;8.26,-12.83,;9.3,-13.97,;8.53,-15.3,;8.12,-16.78,;10.05,-15.53,;7.02,-14.99,;1.52,-13.48,;1.52,-15.03,;.18,-15.8,;-1.15,-15.03,;-1.15,-13.49,;.18,-12.72,;-2.48,-15.8,;-2.48,-17.33,;-3.81,-18.11,;-5.15,-17.34,;-6.62,-17.82,;-7.53,-16.57,;-6.62,-15.31,;-5.15,-15.79,;-3.81,-15.03,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h7-8,11,13-15,18-19H,3-6,9-10,12,25H2,1-2H3/t14-,15+,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 in presence of 50 % human serum |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221970
((2S,3S)-2-((1r,4S)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)c1ccc2ncnn2c1 |wU:6.6,17.23,wD:20.24,5.4,(24.12,-9.73,;24.12,-11.27,;22.79,-12.05,;25.46,-12.04,;26.79,-11.26,;25.47,-13.58,;26.8,-14.34,;26.81,-15.88,;28.13,-13.57,;28.13,-12.03,;29.47,-14.33,;30.88,-13.7,;31.91,-14.84,;31.15,-16.18,;30.74,-17.66,;32.67,-16.4,;29.64,-15.86,;24.14,-14.35,;24.14,-15.9,;22.8,-16.67,;21.47,-15.9,;21.47,-14.36,;22.8,-13.59,;20.14,-16.67,;20.14,-18.21,;18.81,-18.98,;17.47,-18.21,;16,-18.69,;15.09,-17.44,;15.99,-16.18,;17.47,-16.66,;18.81,-15.9,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h7-8,11,13-15,18-19H,3-6,9-10,12,25H2,1-2H3/t14-,15-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 in presence of 50 % human serum |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221984
((2S,3S)-2-amino-1-(3,3-difluoropyrrolidin-1-yl)-3-...)Show SMILES C[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)C1CCC(CC1)c1cccnc1 |wU:2.2,wD:1.0,(21.02,4.01,;21.02,2.47,;22.36,1.7,;22.36,.16,;23.69,2.47,;23.69,4.01,;25.03,1.7,;26.43,2.32,;27.46,1.17,;26.68,-.16,;25.9,-1.49,;28.19,-.48,;25.17,.16,;19.68,1.7,;19.68,.15,;18.35,-.61,;17.02,.15,;17.02,1.7,;18.35,2.47,;15.69,-.62,;14.36,.14,;13.03,-.63,;13.03,-2.17,;14.37,-2.93,;15.69,-2.16,)| Show InChI InChI=1S/C19H27F2N3O/c1-13(17(22)18(25)24-10-8-19(20,21)12-24)14-4-6-15(7-5-14)16-3-2-9-23-11-16/h2-3,9,11,13-15,17H,4-8,10,12,22H2,1H3/t13-,14?,15?,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 in presence of 50 % human serum |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221974
((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-2-...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)c1ccc(F)cc1 |wU:6.6,17.23,20.24,wD:5.4,(.11,4.96,;.11,3.42,;-1.22,2.65,;1.45,2.66,;2.78,3.43,;1.46,1.12,;2.79,.35,;2.8,-1.19,;4.12,1.13,;4.12,2.67,;5.46,.36,;6.87,.99,;7.9,-.15,;7.14,-1.48,;6.73,-2.96,;8.66,-1.71,;5.63,-1.17,;.13,.34,;.13,-1.21,;-1.21,-1.98,;-2.54,-1.21,;-2.54,.33,;-1.21,1.11,;-3.87,-1.98,;-5.2,-1.21,;-6.54,-1.97,;-6.54,-3.51,;-7.87,-4.29,;-5.2,-4.29,;-3.87,-3.51,)| Show InChI InChI=1S/C22H30F3N3O2/c1-27(2)20(29)18(19(26)21(30)28-12-11-22(24,25)13-28)16-5-3-14(4-6-16)15-7-9-17(23)10-8-15/h7-10,14,16,18-19H,3-6,11-13,26H2,1-2H3/t14-,16+,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221976
((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)C1CCc2ncnn2C1 |w:23.34,wU:6.6,17.23,20.24,wD:5.4,(1.03,-21.75,;1.04,-23.29,;-.29,-24.06,;2.38,-24.05,;3.71,-23.28,;2.38,-25.59,;3.72,-26.36,;3.72,-27.9,;5.05,-25.58,;5.04,-24.04,;6.39,-26.35,;7.8,-25.71,;8.83,-26.85,;8.06,-28.19,;7.65,-29.67,;9.59,-28.42,;6.56,-27.88,;1.05,-26.37,;1.06,-27.92,;-.28,-28.69,;-1.61,-27.92,;-1.61,-26.37,;-.28,-25.6,;-2.95,-28.69,;-2.94,-30.22,;-4.27,-30.99,;-5.61,-30.22,;-7.08,-30.7,;-8,-29.46,;-7.09,-28.2,;-5.62,-28.68,;-4.28,-27.91,)| Show InChI InChI=1S/C22H34F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h13-16,18-19H,3-12,25H2,1-2H3/t14-,15+,16?,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221983
((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-2-...)Show SMILES COc1cc(nc(OC)n1)[C@H]1CC[C@@H](CC1)[C@@H]([C@H](N)C(=O)N1CCC(F)(F)C1)C(=O)N(C)C |wU:13.14,17.19,wD:10.10,16.30,(18.37,-36.19,;17.04,-35.42,;17.03,-33.88,;18.36,-33.11,;18.35,-31.57,;17.02,-30.8,;15.69,-31.57,;14.36,-30.8,;14.36,-29.26,;15.69,-33.11,;19.69,-30.8,;21.02,-31.57,;22.36,-30.8,;22.35,-29.25,;21.02,-28.49,;19.69,-29.26,;23.69,-28.48,;25.02,-29.24,;25.03,-30.78,;26.35,-28.47,;26.35,-26.93,;27.69,-29.23,;29.1,-28.6,;30.13,-29.74,;29.37,-31.08,;28.96,-32.56,;30.89,-31.3,;27.86,-30.76,;23.68,-26.94,;25.01,-26.16,;22.34,-26.17,;22.34,-24.63,;21.01,-26.95,)| Show InChI InChI=1S/C22H33F2N5O4/c1-28(2)19(30)17(18(25)20(31)29-10-9-22(23,24)12-29)14-7-5-13(6-8-14)15-11-16(32-3)27-21(26-15)33-4/h11,13-14,17-18H,5-10,12,25H2,1-4H3/t13-,14-,17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221975
((2S,3S)-2-((1s,4R)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)c1cccc2ncnn12 |wU:6.6,17.23,20.24,wD:5.4,(-.49,-9.42,;-.48,-10.96,;-1.82,-11.73,;.85,-11.72,;2.18,-10.95,;.86,-13.26,;2.19,-14.03,;2.2,-15.57,;3.53,-13.25,;3.52,-11.71,;4.86,-14.02,;6.27,-13.39,;7.31,-14.53,;6.54,-15.86,;6.13,-17.34,;8.06,-16.09,;5.03,-15.55,;-.47,-14.04,;-.47,-15.59,;-1.81,-16.36,;-3.14,-15.59,;-3.14,-14.05,;-1.81,-13.28,;-4.47,-16.36,;-5.8,-15.59,;-7.14,-16.35,;-7.14,-17.9,;-5.79,-18.67,;-5.46,-20.18,;-3.93,-20.32,;-3.32,-18.91,;-4.47,-17.89,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-11-10-22(23,24)12-29)15-8-6-14(7-9-15)16-4-3-5-17-26-13-27-30(16)17/h3-5,13-15,18-19H,6-12,25H2,1-2H3/t14-,15+,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221978
((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-2-...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)c1ccc(F)cc1 |wU:6.6,17.23,wD:5.4,20.24,(22.84,4.54,;22.85,3,;21.52,2.23,;24.19,2.24,;25.52,3.01,;24.19,.7,;25.53,-.07,;25.53,-1.61,;26.86,.71,;26.85,2.25,;28.2,-.06,;29.6,.57,;30.64,-.57,;29.87,-1.9,;29.46,-3.38,;31.4,-2.13,;28.37,-1.59,;22.86,-.08,;22.87,-1.63,;21.53,-2.4,;20.19,-1.63,;20.2,-.09,;21.53,.69,;18.86,-2.4,;17.53,-1.63,;16.2,-2.39,;16.19,-3.93,;14.86,-4.71,;17.54,-4.71,;18.86,-3.93,)| Show InChI InChI=1S/C22H30F3N3O2/c1-27(2)20(29)18(19(26)21(30)28-12-11-22(24,25)13-28)16-5-3-14(4-6-16)15-7-9-17(23)10-8-15/h7-10,14,16,18-19H,3-6,11-13,26H2,1-2H3/t14-,16-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 in presence of 50 % human serum |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221980
((2S,3S)-2-((1s,4R)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@H](CC1)c1cccc2ncnn12 |wU:6.6,16.22,19.23,wD:5.4,13.13,(-.72,5.67,;-.72,4.13,;-2.05,3.35,;.62,3.36,;1.95,4.14,;.62,1.82,;1.96,1.06,;1.97,-.48,;3.29,1.83,;3.29,3.37,;4.63,1.07,;6.04,1.7,;7.07,.56,;6.31,-.78,;6.94,-2.18,;4.8,-.46,;-.71,1.05,;-.7,-.5,;-2.04,-1.27,;-3.37,-.5,;-3.37,1.04,;-2.04,1.81,;-4.71,-1.27,;-6.04,-.5,;-7.37,-1.27,;-7.37,-2.81,;-6.03,-3.59,;-5.7,-5.09,;-4.16,-5.24,;-3.55,-3.83,;-4.7,-2.81,)| Show InChI InChI=1S/C22H31FN6O2/c1-27(2)21(30)19(20(24)22(31)28-11-10-16(23)12-28)15-8-6-14(7-9-15)17-4-3-5-18-25-13-26-29(17)18/h3-5,13-16,19-20H,6-12,24H2,1-2H3/t14-,15+,16-,19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221966
((2S,3S)-2-amino-1-((S)-3-fluoro-3-methylpyrrolidin...)Show SMILES C[C@H]([C@H](N)C(=O)N1CC[C@](C)(F)C1)C1CCC(CC1)c1ccc(F)cc1 |wU:9.9,2.2,wD:1.0,9.10,(-.16,4.94,;-.16,3.4,;1.18,2.63,;1.18,1.09,;2.51,3.4,;2.51,4.94,;3.86,2.63,;5.25,3.25,;6.28,2.1,;5.51,.77,;7.01,.45,;4.72,-.56,;4,1.09,;-1.5,2.63,;-1.5,1.08,;-2.82,.32,;-4.16,1.08,;-4.16,2.63,;-2.83,3.4,;-5.49,.31,;-6.82,1.08,;-8.15,.31,;-8.15,-1.23,;-9.48,-2.01,;-6.81,-2,;-5.48,-1.23,)| Show InChI InChI=1S/C21H30F2N2O/c1-14(19(24)20(26)25-12-11-21(2,23)13-25)15-3-5-16(6-4-15)17-7-9-18(22)10-8-17/h7-10,14-16,19H,3-6,11-13,24H2,1-2H3/t14-,15?,16?,19-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 in presence of 50 % human serum |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221976
((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)C1CCc2ncnn2C1 |w:23.34,wU:6.6,17.23,20.24,wD:5.4,(1.03,-21.75,;1.04,-23.29,;-.29,-24.06,;2.38,-24.05,;3.71,-23.28,;2.38,-25.59,;3.72,-26.36,;3.72,-27.9,;5.05,-25.58,;5.04,-24.04,;6.39,-26.35,;7.8,-25.71,;8.83,-26.85,;8.06,-28.19,;7.65,-29.67,;9.59,-28.42,;6.56,-27.88,;1.05,-26.37,;1.06,-27.92,;-.28,-28.69,;-1.61,-27.92,;-1.61,-26.37,;-.28,-25.6,;-2.95,-28.69,;-2.94,-30.22,;-4.27,-30.99,;-5.61,-30.22,;-7.08,-30.7,;-8,-29.46,;-7.09,-28.2,;-5.62,-28.68,;-4.28,-27.91,)| Show InChI InChI=1S/C22H34F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h13-16,18-19H,3-12,25H2,1-2H3/t14-,15+,16?,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 in presence of 50 % human serum |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221975
((2S,3S)-2-((1s,4R)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)c1cccc2ncnn12 |wU:6.6,17.23,20.24,wD:5.4,(-.49,-9.42,;-.48,-10.96,;-1.82,-11.73,;.85,-11.72,;2.18,-10.95,;.86,-13.26,;2.19,-14.03,;2.2,-15.57,;3.53,-13.25,;3.52,-11.71,;4.86,-14.02,;6.27,-13.39,;7.31,-14.53,;6.54,-15.86,;6.13,-17.34,;8.06,-16.09,;5.03,-15.55,;-.47,-14.04,;-.47,-15.59,;-1.81,-16.36,;-3.14,-15.59,;-3.14,-14.05,;-1.81,-13.28,;-4.47,-16.36,;-5.8,-15.59,;-7.14,-16.35,;-7.14,-17.9,;-5.79,-18.67,;-5.46,-20.18,;-3.93,-20.32,;-3.32,-18.91,;-4.47,-17.89,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-11-10-22(23,24)12-29)15-8-6-14(7-9-15)16-4-3-5-17-26-13-27-30(16)17/h3-5,13-15,18-19H,6-12,25H2,1-2H3/t14-,15+,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 in presence of 50 % human serum |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221980
((2S,3S)-2-((1s,4R)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@H](CC1)c1cccc2ncnn12 |wU:6.6,16.22,19.23,wD:5.4,13.13,(-.72,5.67,;-.72,4.13,;-2.05,3.35,;.62,3.36,;1.95,4.14,;.62,1.82,;1.96,1.06,;1.97,-.48,;3.29,1.83,;3.29,3.37,;4.63,1.07,;6.04,1.7,;7.07,.56,;6.31,-.78,;6.94,-2.18,;4.8,-.46,;-.71,1.05,;-.7,-.5,;-2.04,-1.27,;-3.37,-.5,;-3.37,1.04,;-2.04,1.81,;-4.71,-1.27,;-6.04,-.5,;-7.37,-1.27,;-7.37,-2.81,;-6.03,-3.59,;-5.7,-5.09,;-4.16,-5.24,;-3.55,-3.83,;-4.7,-2.81,)| Show InChI InChI=1S/C22H31FN6O2/c1-27(2)21(30)19(20(24)22(31)28-11-10-16(23)12-28)15-8-6-14(7-9-15)17-4-3-5-18-25-13-26-29(17)18/h3-5,13-16,19-20H,6-12,24H2,1-2H3/t14-,15+,16-,19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 in presence of 50 % human serum |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50221977
((2S,3S)-2-amino-3-(4'-fluoro-biphenyl-4-yl)-1-((S)...)Show SMILES C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H22F2N2O/c1-13(19(23)20(25)24-11-10-18(22)12-24)14-2-4-15(5-3-14)16-6-8-17(21)9-7-16/h2-9,13,18-19H,10-12,23H2,1H3/t13-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221974
((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-2-...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)c1ccc(F)cc1 |wU:6.6,17.23,20.24,wD:5.4,(.11,4.96,;.11,3.42,;-1.22,2.65,;1.45,2.66,;2.78,3.43,;1.46,1.12,;2.79,.35,;2.8,-1.19,;4.12,1.13,;4.12,2.67,;5.46,.36,;6.87,.99,;7.9,-.15,;7.14,-1.48,;6.73,-2.96,;8.66,-1.71,;5.63,-1.17,;.13,.34,;.13,-1.21,;-1.21,-1.98,;-2.54,-1.21,;-2.54,.33,;-1.21,1.11,;-3.87,-1.98,;-5.2,-1.21,;-6.54,-1.97,;-6.54,-3.51,;-7.87,-4.29,;-5.2,-4.29,;-3.87,-3.51,)| Show InChI InChI=1S/C22H30F3N3O2/c1-27(2)20(29)18(19(26)21(30)28-12-11-22(24,25)13-28)16-5-3-14(4-6-16)15-7-9-17(23)10-8-15/h7-10,14,16,18-19H,3-6,11-13,26H2,1-2H3/t14-,16+,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
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PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 in presence of 50 % human serum |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50221971
((2S,3S)-3-(4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)c...)Show SMILES C[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)C1CCC(CC1)c1cccc2ncnn12 |wU:2.2,wD:1.0,(.48,-6.64,;.48,-8.18,;1.82,-8.95,;1.82,-10.49,;3.15,-8.18,;3.15,-6.64,;4.49,-8.95,;5.89,-8.33,;6.92,-9.48,;6.14,-10.81,;5.36,-12.14,;7.65,-11.13,;4.63,-10.49,;-.86,-8.95,;-.86,-10.5,;-2.19,-11.26,;-3.52,-10.5,;-3.52,-8.95,;-2.19,-8.18,;-4.85,-11.27,;-6.18,-10.5,;-7.51,-11.27,;-7.51,-12.81,;-6.17,-13.59,;-5.84,-15.09,;-4.31,-15.23,;-3.69,-13.82,;-4.85,-12.81,)| Show InChI InChI=1S/C20H27F2N5O/c1-13(18(23)19(28)26-10-9-20(21,22)11-26)14-5-7-15(8-6-14)16-3-2-4-17-24-12-25-27(16)17/h2-4,12-15,18H,5-11,23H2,1H3/t13-,14?,15?,18-/m0/s1 | PDB
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PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221983
((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-2-...)Show SMILES COc1cc(nc(OC)n1)[C@H]1CC[C@@H](CC1)[C@@H]([C@H](N)C(=O)N1CCC(F)(F)C1)C(=O)N(C)C |wU:13.14,17.19,wD:10.10,16.30,(18.37,-36.19,;17.04,-35.42,;17.03,-33.88,;18.36,-33.11,;18.35,-31.57,;17.02,-30.8,;15.69,-31.57,;14.36,-30.8,;14.36,-29.26,;15.69,-33.11,;19.69,-30.8,;21.02,-31.57,;22.36,-30.8,;22.35,-29.25,;21.02,-28.49,;19.69,-29.26,;23.69,-28.48,;25.02,-29.24,;25.03,-30.78,;26.35,-28.47,;26.35,-26.93,;27.69,-29.23,;29.1,-28.6,;30.13,-29.74,;29.37,-31.08,;28.96,-32.56,;30.89,-31.3,;27.86,-30.76,;23.68,-26.94,;25.01,-26.16,;22.34,-26.17,;22.34,-24.63,;21.01,-26.95,)| Show InChI InChI=1S/C22H33F2N5O4/c1-28(2)19(30)17(18(25)20(31)29-10-9-22(23,24)12-29)14-7-5-13(6-8-14)15-11-16(32-3)27-21(26-15)33-4/h11,13-14,17-18H,5-10,12,25H2,1-4H3/t13-,14-,17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 in presence of 50 % human serum |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50221975
((2S,3S)-2-((1s,4R)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)c1cccc2ncnn12 |wU:6.6,17.23,20.24,wD:5.4,(-.49,-9.42,;-.48,-10.96,;-1.82,-11.73,;.85,-11.72,;2.18,-10.95,;.86,-13.26,;2.19,-14.03,;2.2,-15.57,;3.53,-13.25,;3.52,-11.71,;4.86,-14.02,;6.27,-13.39,;7.31,-14.53,;6.54,-15.86,;6.13,-17.34,;8.06,-16.09,;5.03,-15.55,;-.47,-14.04,;-.47,-15.59,;-1.81,-16.36,;-3.14,-15.59,;-3.14,-14.05,;-1.81,-13.28,;-4.47,-16.36,;-5.8,-15.59,;-7.14,-16.35,;-7.14,-17.9,;-5.79,-18.67,;-5.46,-20.18,;-3.93,-20.32,;-3.32,-18.91,;-4.47,-17.89,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-11-10-22(23,24)12-29)15-8-6-14(7-9-15)16-4-3-5-17-26-13-27-30(16)17/h3-5,13-15,18-19H,6-12,25H2,1-2H3/t14-,15+,18-,19-/m0/s1 | PDB
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PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221973
((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-2-...)Show SMILES COc1cc(nc(OC)n1)[C@@H]1CC[C@@H](CC1)[C@@H]([C@H](N)C(=O)N1CCC(F)(F)C1)C(=O)N(C)C |wU:13.14,10.10,17.19,wD:16.30,(-5.4,-36.48,;-6.73,-35.72,;-6.74,-34.18,;-5.41,-33.4,;-5.41,-31.87,;-6.74,-31.1,;-8.08,-31.86,;-9.41,-31.09,;-9.41,-29.55,;-8.08,-33.4,;-4.08,-31.1,;-2.75,-31.87,;-1.41,-31.1,;-1.41,-29.55,;-2.75,-28.78,;-4.08,-29.56,;-.08,-28.77,;1.25,-29.54,;1.26,-31.08,;2.58,-28.76,;2.58,-27.22,;3.92,-29.53,;5.33,-28.9,;6.36,-30.04,;5.6,-31.37,;5.19,-32.85,;7.12,-31.6,;4.09,-31.06,;-.09,-27.23,;1.24,-26.46,;-1.43,-26.47,;-1.43,-24.93,;-2.76,-27.24,)| Show InChI InChI=1S/C22H33F2N5O4/c1-28(2)19(30)17(18(25)20(31)29-10-9-22(23,24)12-29)14-7-5-13(6-8-14)15-11-16(32-3)27-21(26-15)33-4/h11,13-14,17-18H,5-10,12,25H2,1-4H3/t13-,14+,17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
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PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 in presence of 50 % human serum |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50221966
((2S,3S)-2-amino-1-((S)-3-fluoro-3-methylpyrrolidin...)Show SMILES C[C@H]([C@H](N)C(=O)N1CC[C@](C)(F)C1)C1CCC(CC1)c1ccc(F)cc1 |wU:9.9,2.2,wD:1.0,9.10,(-.16,4.94,;-.16,3.4,;1.18,2.63,;1.18,1.09,;2.51,3.4,;2.51,4.94,;3.86,2.63,;5.25,3.25,;6.28,2.1,;5.51,.77,;7.01,.45,;4.72,-.56,;4,1.09,;-1.5,2.63,;-1.5,1.08,;-2.82,.32,;-4.16,1.08,;-4.16,2.63,;-2.83,3.4,;-5.49,.31,;-6.82,1.08,;-8.15,.31,;-8.15,-1.23,;-9.48,-2.01,;-6.81,-2,;-5.48,-1.23,)| Show InChI InChI=1S/C21H30F2N2O/c1-14(19(24)20(26)25-12-11-21(2,23)13-25)15-3-5-16(6-4-15)17-7-9-18(22)10-8-17/h7-10,14-16,19H,3-6,11-13,24H2,1-2H3/t14-,15?,16?,19-,21-/m0/s1 | PDB
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PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50221966
((2S,3S)-2-amino-1-((S)-3-fluoro-3-methylpyrrolidin...)Show SMILES C[C@H]([C@H](N)C(=O)N1CC[C@](C)(F)C1)C1CCC(CC1)c1ccc(F)cc1 |wU:9.9,2.2,wD:1.0,9.10,(-.16,4.94,;-.16,3.4,;1.18,2.63,;1.18,1.09,;2.51,3.4,;2.51,4.94,;3.86,2.63,;5.25,3.25,;6.28,2.1,;5.51,.77,;7.01,.45,;4.72,-.56,;4,1.09,;-1.5,2.63,;-1.5,1.08,;-2.82,.32,;-4.16,1.08,;-4.16,2.63,;-2.83,3.4,;-5.49,.31,;-6.82,1.08,;-8.15,.31,;-8.15,-1.23,;-9.48,-2.01,;-6.81,-2,;-5.48,-1.23,)| Show InChI InChI=1S/C21H30F2N2O/c1-14(19(24)20(26)25-12-11-21(2,23)13-25)15-3-5-16(6-4-15)17-7-9-18(22)10-8-17/h7-10,14-16,19H,3-6,11-13,24H2,1-2H3/t14-,15?,16?,19-,21-/m0/s1 | PDB
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| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50221980
((2S,3S)-2-((1s,4R)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@H](CC1)c1cccc2ncnn12 |wU:6.6,16.22,19.23,wD:5.4,13.13,(-.72,5.67,;-.72,4.13,;-2.05,3.35,;.62,3.36,;1.95,4.14,;.62,1.82,;1.96,1.06,;1.97,-.48,;3.29,1.83,;3.29,3.37,;4.63,1.07,;6.04,1.7,;7.07,.56,;6.31,-.78,;6.94,-2.18,;4.8,-.46,;-.71,1.05,;-.7,-.5,;-2.04,-1.27,;-3.37,-.5,;-3.37,1.04,;-2.04,1.81,;-4.71,-1.27,;-6.04,-.5,;-7.37,-1.27,;-7.37,-2.81,;-6.03,-3.59,;-5.7,-5.09,;-4.16,-5.24,;-3.55,-3.83,;-4.7,-2.81,)| Show InChI InChI=1S/C22H31FN6O2/c1-27(2)21(30)19(20(24)22(31)28-11-10-16(23)12-28)15-8-6-14(7-9-15)17-4-3-5-18-25-13-26-29(17)18/h3-5,13-16,19-20H,6-12,24H2,1-2H3/t14-,15+,16-,19-,20-/m0/s1 | PDB
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PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50221971
((2S,3S)-3-(4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)c...)Show SMILES C[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)C1CCC(CC1)c1cccc2ncnn12 |wU:2.2,wD:1.0,(.48,-6.64,;.48,-8.18,;1.82,-8.95,;1.82,-10.49,;3.15,-8.18,;3.15,-6.64,;4.49,-8.95,;5.89,-8.33,;6.92,-9.48,;6.14,-10.81,;5.36,-12.14,;7.65,-11.13,;4.63,-10.49,;-.86,-8.95,;-.86,-10.5,;-2.19,-11.26,;-3.52,-10.5,;-3.52,-8.95,;-2.19,-8.18,;-4.85,-11.27,;-6.18,-10.5,;-7.51,-11.27,;-7.51,-12.81,;-6.17,-13.59,;-5.84,-15.09,;-4.31,-15.23,;-3.69,-13.82,;-4.85,-12.81,)| Show InChI InChI=1S/C20H27F2N5O/c1-13(18(23)19(28)26-10-9-20(21,22)11-26)14-5-7-15(8-6-14)16-3-2-4-17-24-12-25-27(16)17/h2-4,12-15,18H,5-11,23H2,1H3/t13-,14?,15?,18-/m0/s1 | PDB
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| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50221967
((2S,3S)-3-amino-2-(4'-fluoro-biphenyl-4-yl)-4-((S)...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H25F2N3O2/c1-26(2)21(28)19(20(25)22(29)27-12-11-18(24)13-27)16-5-3-14(4-6-16)15-7-9-17(23)10-8-15/h3-10,18-20H,11-13,25H2,1-2H3/t18-,19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50221984
((2S,3S)-2-amino-1-(3,3-difluoropyrrolidin-1-yl)-3-...)Show SMILES C[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)C1CCC(CC1)c1cccnc1 |wU:2.2,wD:1.0,(21.02,4.01,;21.02,2.47,;22.36,1.7,;22.36,.16,;23.69,2.47,;23.69,4.01,;25.03,1.7,;26.43,2.32,;27.46,1.17,;26.68,-.16,;25.9,-1.49,;28.19,-.48,;25.17,.16,;19.68,1.7,;19.68,.15,;18.35,-.61,;17.02,.15,;17.02,1.7,;18.35,2.47,;15.69,-.62,;14.36,.14,;13.03,-.63,;13.03,-2.17,;14.37,-2.93,;15.69,-2.16,)| Show InChI InChI=1S/C19H27F2N3O/c1-13(17(22)18(25)24-10-8-19(20,21)12-24)14-4-6-15(7-5-14)16-3-2-9-23-11-16/h2-3,9,11,13-15,17H,4-8,10,12,22H2,1H3/t13-,14?,15?,17-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50221984
((2S,3S)-2-amino-1-(3,3-difluoropyrrolidin-1-yl)-3-...)Show SMILES C[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)C1CCC(CC1)c1cccnc1 |wU:2.2,wD:1.0,(21.02,4.01,;21.02,2.47,;22.36,1.7,;22.36,.16,;23.69,2.47,;23.69,4.01,;25.03,1.7,;26.43,2.32,;27.46,1.17,;26.68,-.16,;25.9,-1.49,;28.19,-.48,;25.17,.16,;19.68,1.7,;19.68,.15,;18.35,-.61,;17.02,.15,;17.02,1.7,;18.35,2.47,;15.69,-.62,;14.36,.14,;13.03,-.63,;13.03,-2.17,;14.37,-2.93,;15.69,-2.16,)| Show InChI InChI=1S/C19H27F2N3O/c1-13(17(22)18(25)24-10-8-19(20,21)12-24)14-4-6-15(7-5-14)16-3-2-9-23-11-16/h2-3,9,11,13-15,17H,4-8,10,12,22H2,1H3/t13-,14?,15?,17-/m0/s1 | PDB
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| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50221974
((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-2-...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)c1ccc(F)cc1 |wU:6.6,17.23,20.24,wD:5.4,(.11,4.96,;.11,3.42,;-1.22,2.65,;1.45,2.66,;2.78,3.43,;1.46,1.12,;2.79,.35,;2.8,-1.19,;4.12,1.13,;4.12,2.67,;5.46,.36,;6.87,.99,;7.9,-.15,;7.14,-1.48,;6.73,-2.96,;8.66,-1.71,;5.63,-1.17,;.13,.34,;.13,-1.21,;-1.21,-1.98,;-2.54,-1.21,;-2.54,.33,;-1.21,1.11,;-3.87,-1.98,;-5.2,-1.21,;-6.54,-1.97,;-6.54,-3.51,;-7.87,-4.29,;-5.2,-4.29,;-3.87,-3.51,)| Show InChI InChI=1S/C22H30F3N3O2/c1-27(2)20(29)18(19(26)21(30)28-12-11-22(24,25)13-28)16-5-3-14(4-6-16)15-7-9-17(23)10-8-15/h7-10,14,16,18-19H,3-6,11-13,26H2,1-2H3/t14-,16+,18-,19-/m0/s1 | PDB
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| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50221978
((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-2-...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)c1ccc(F)cc1 |wU:6.6,17.23,wD:5.4,20.24,(22.84,4.54,;22.85,3,;21.52,2.23,;24.19,2.24,;25.52,3.01,;24.19,.7,;25.53,-.07,;25.53,-1.61,;26.86,.71,;26.85,2.25,;28.2,-.06,;29.6,.57,;30.64,-.57,;29.87,-1.9,;29.46,-3.38,;31.4,-2.13,;28.37,-1.59,;22.86,-.08,;22.87,-1.63,;21.53,-2.4,;20.19,-1.63,;20.2,-.09,;21.53,.69,;18.86,-2.4,;17.53,-1.63,;16.2,-2.39,;16.19,-3.93,;14.86,-4.71,;17.54,-4.71,;18.86,-3.93,)| Show InChI InChI=1S/C22H30F3N3O2/c1-27(2)20(29)18(19(26)21(30)28-12-11-22(24,25)13-28)16-5-3-14(4-6-16)15-7-9-17(23)10-8-15/h7-10,14,16,18-19H,3-6,11-13,26H2,1-2H3/t14-,16-,18-,19-/m0/s1 | PDB
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| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50221969
((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)C1CCc2ncnn2C1 |w:23.34,wU:6.6,17.23,wD:20.24,5.4,(25.99,-21.91,;25.99,-23.45,;24.66,-24.23,;27.33,-24.22,;28.66,-23.44,;27.33,-25.76,;28.67,-26.52,;28.68,-28.06,;30,-25.75,;29.99,-24.21,;31.34,-26.51,;32.75,-25.88,;33.78,-27.02,;33.02,-28.36,;32.6,-29.84,;34.54,-28.58,;31.51,-28.04,;26,-26.53,;26.01,-28.08,;24.67,-28.85,;23.34,-28.08,;23.34,-26.54,;24.67,-25.77,;22,-28.85,;22.01,-30.39,;20.68,-31.16,;19.34,-30.39,;17.87,-30.87,;16.95,-29.62,;17.86,-28.36,;19.33,-28.84,;20.67,-28.08,)| Show InChI InChI=1S/C22H34F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h13-16,18-19H,3-12,25H2,1-2H3/t14-,15-,16?,18-,19-/m0/s1 | PDB
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| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50221982
(CHEMBL237547 | N-((1S,4r)-4-((2S,3S)-3-amino-4-((S...)Show SMILES C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@@H](CC1)NC(C)=O |wU:2.2,12.18,wD:1.0,15.19,9.9,(23.46,-31.67,;23.47,-33.21,;24.8,-33.97,;24.81,-35.51,;26.14,-33.2,;26.13,-31.66,;27.47,-33.96,;28.88,-33.33,;29.92,-34.47,;29.15,-35.81,;29.78,-37.21,;27.64,-35.49,;22.14,-33.98,;22.15,-35.52,;20.81,-36.29,;19.47,-35.52,;19.48,-33.98,;20.8,-33.21,;18.14,-34.75,;16.81,-35.52,;15.47,-34.74,;16.8,-37.06,)| Show InChI InChI=1S/C16H28FN3O2/c1-10(12-3-5-14(6-4-12)19-11(2)21)15(18)16(22)20-8-7-13(17)9-20/h10,12-15H,3-9,18H2,1-2H3,(H,19,21)/t10-,12-,13-,14-,15-/m0/s1 | PDB
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| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50221968
((2S,3S)-2-((1r,4S)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)c1cccc2ncnn12 |wU:6.6,17.23,wD:20.24,5.4,(22.14,-9.02,;22.15,-10.56,;20.82,-11.33,;23.49,-11.32,;24.82,-10.55,;23.49,-12.86,;24.83,-13.63,;24.83,-15.17,;26.16,-12.85,;26.15,-11.31,;27.5,-13.62,;28.9,-12.98,;29.94,-14.12,;29.17,-15.46,;28.76,-16.94,;30.7,-15.68,;27.67,-15.15,;22.16,-13.64,;22.17,-15.19,;20.83,-15.95,;19.49,-15.19,;19.5,-13.64,;20.83,-12.87,;18.16,-15.96,;16.83,-15.18,;15.5,-15.95,;15.49,-17.49,;16.84,-18.27,;17.17,-19.77,;18.7,-19.92,;19.32,-18.51,;18.16,-17.49,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-11-10-22(23,24)12-29)15-8-6-14(7-9-15)16-4-3-5-17-26-13-27-30(16)17/h3-5,13-15,18-19H,6-12,25H2,1-2H3/t14-,15-,18-,19-/m0/s1 | PDB
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| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50221979
((2S,3S)-2-((1r,4S)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@@H](CC1)c1cccc2ncnn12 |wU:6.6,16.22,wD:5.4,19.23,13.13,(21.85,6.14,;21.85,4.6,;20.52,3.82,;23.19,3.83,;24.52,4.61,;23.2,2.29,;24.53,1.53,;24.54,-.01,;25.86,2.3,;25.86,3.84,;27.2,1.54,;28.61,2.17,;29.64,1.03,;28.88,-.31,;29.51,-1.71,;27.37,.01,;21.86,1.52,;21.87,-.03,;20.53,-.8,;19.2,-.04,;19.2,1.51,;20.53,2.28,;17.86,-.8,;16.53,-.03,;15.2,-.8,;15.2,-2.34,;16.54,-3.12,;16.88,-4.62,;18.41,-4.77,;19.02,-3.36,;17.87,-2.34,)| Show InChI InChI=1S/C22H31FN6O2/c1-27(2)21(30)19(20(24)22(31)28-11-10-16(23)12-28)15-8-6-14(7-9-15)17-4-3-5-18-25-13-26-29(17)18/h3-5,13-16,19-20H,6-12,24H2,1-2H3/t14-,15-,16-,19-,20-/m0/s1 | PDB
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| n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50221970
((2S,3S)-2-((1r,4S)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)c1ccc2ncnn2c1 |wU:6.6,17.23,wD:20.24,5.4,(24.12,-9.73,;24.12,-11.27,;22.79,-12.05,;25.46,-12.04,;26.79,-11.26,;25.47,-13.58,;26.8,-14.34,;26.81,-15.88,;28.13,-13.57,;28.13,-12.03,;29.47,-14.33,;30.88,-13.7,;31.91,-14.84,;31.15,-16.18,;30.74,-17.66,;32.67,-16.4,;29.64,-15.86,;24.14,-14.35,;24.14,-15.9,;22.8,-16.67,;21.47,-15.9,;21.47,-14.36,;22.8,-13.59,;20.14,-16.67,;20.14,-18.21,;18.81,-18.98,;17.47,-18.21,;16,-18.69,;15.09,-17.44,;15.99,-16.18,;17.47,-16.66,;18.81,-15.9,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h7-8,11,13-15,18-19H,3-6,9-10,12,25H2,1-2H3/t14-,15-,18-,19-/m0/s1 | PDB
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| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50221968
((2S,3S)-2-((1r,4S)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)c1cccc2ncnn12 |wU:6.6,17.23,wD:20.24,5.4,(22.14,-9.02,;22.15,-10.56,;20.82,-11.33,;23.49,-11.32,;24.82,-10.55,;23.49,-12.86,;24.83,-13.63,;24.83,-15.17,;26.16,-12.85,;26.15,-11.31,;27.5,-13.62,;28.9,-12.98,;29.94,-14.12,;29.17,-15.46,;28.76,-16.94,;30.7,-15.68,;27.67,-15.15,;22.16,-13.64,;22.17,-15.19,;20.83,-15.95,;19.49,-15.19,;19.5,-13.64,;20.83,-12.87,;18.16,-15.96,;16.83,-15.18,;15.5,-15.95,;15.49,-17.49,;16.84,-18.27,;17.17,-19.77,;18.7,-19.92,;19.32,-18.51,;18.16,-17.49,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-11-10-22(23,24)12-29)15-8-6-14(7-9-15)16-4-3-5-17-26-13-27-30(16)17/h3-5,13-15,18-19H,6-12,25H2,1-2H3/t14-,15-,18-,19-/m0/s1 | PDB
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| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50221981
((2S,3S)-2-((1s,4R)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)c1ccc2ncnn2c1 |wU:6.6,17.23,20.24,wD:5.4,(1.5,-8.86,;1.51,-10.4,;.18,-11.17,;2.84,-11.16,;4.17,-10.39,;2.85,-12.7,;4.19,-13.47,;4.19,-15.01,;5.52,-12.69,;5.51,-11.15,;6.85,-13.46,;8.26,-12.83,;9.3,-13.97,;8.53,-15.3,;8.12,-16.78,;10.05,-15.53,;7.02,-14.99,;1.52,-13.48,;1.52,-15.03,;.18,-15.8,;-1.15,-15.03,;-1.15,-13.49,;.18,-12.72,;-2.48,-15.8,;-2.48,-17.33,;-3.81,-18.11,;-5.15,-17.34,;-6.62,-17.82,;-7.53,-16.57,;-6.62,-15.31,;-5.15,-15.79,;-3.81,-15.03,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h7-8,11,13-15,18-19H,3-6,9-10,12,25H2,1-2H3/t14-,15+,18-,19-/m0/s1 | PDB
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| n/a | n/a | 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50221970
((2S,3S)-2-((1r,4S)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)c1ccc2ncnn2c1 |wU:6.6,17.23,wD:20.24,5.4,(24.12,-9.73,;24.12,-11.27,;22.79,-12.05,;25.46,-12.04,;26.79,-11.26,;25.47,-13.58,;26.8,-14.34,;26.81,-15.88,;28.13,-13.57,;28.13,-12.03,;29.47,-14.33,;30.88,-13.7,;31.91,-14.84,;31.15,-16.18,;30.74,-17.66,;32.67,-16.4,;29.64,-15.86,;24.14,-14.35,;24.14,-15.9,;22.8,-16.67,;21.47,-15.9,;21.47,-14.36,;22.8,-13.59,;20.14,-16.67,;20.14,-18.21,;18.81,-18.98,;17.47,-18.21,;16,-18.69,;15.09,-17.44,;15.99,-16.18,;17.47,-16.66,;18.81,-15.9,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h7-8,11,13-15,18-19H,3-6,9-10,12,25H2,1-2H3/t14-,15-,18-,19-/m0/s1 | PDB
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PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50221973
((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-2-...)Show SMILES COc1cc(nc(OC)n1)[C@@H]1CC[C@@H](CC1)[C@@H]([C@H](N)C(=O)N1CCC(F)(F)C1)C(=O)N(C)C |wU:13.14,10.10,17.19,wD:16.30,(-5.4,-36.48,;-6.73,-35.72,;-6.74,-34.18,;-5.41,-33.4,;-5.41,-31.87,;-6.74,-31.1,;-8.08,-31.86,;-9.41,-31.09,;-9.41,-29.55,;-8.08,-33.4,;-4.08,-31.1,;-2.75,-31.87,;-1.41,-31.1,;-1.41,-29.55,;-2.75,-28.78,;-4.08,-29.56,;-.08,-28.77,;1.25,-29.54,;1.26,-31.08,;2.58,-28.76,;2.58,-27.22,;3.92,-29.53,;5.33,-28.9,;6.36,-30.04,;5.6,-31.37,;5.19,-32.85,;7.12,-31.6,;4.09,-31.06,;-.09,-27.23,;1.24,-26.46,;-1.43,-26.47,;-1.43,-24.93,;-2.76,-27.24,)| Show InChI InChI=1S/C22H33F2N5O4/c1-28(2)19(30)17(18(25)20(31)29-10-9-22(23,24)12-29)14-7-5-13(6-8-14)15-11-16(32-3)27-21(26-15)33-4/h11,13-14,17-18H,5-10,12,25H2,1-4H3/t13-,14+,17-,18-/m0/s1 | PDB
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PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50221978
((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-2-...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)c1ccc(F)cc1 |wU:6.6,17.23,wD:5.4,20.24,(22.84,4.54,;22.85,3,;21.52,2.23,;24.19,2.24,;25.52,3.01,;24.19,.7,;25.53,-.07,;25.53,-1.61,;26.86,.71,;26.85,2.25,;28.2,-.06,;29.6,.57,;30.64,-.57,;29.87,-1.9,;29.46,-3.38,;31.4,-2.13,;28.37,-1.59,;22.86,-.08,;22.87,-1.63,;21.53,-2.4,;20.19,-1.63,;20.2,-.09,;21.53,.69,;18.86,-2.4,;17.53,-1.63,;16.2,-2.39,;16.19,-3.93,;14.86,-4.71,;17.54,-4.71,;18.86,-3.93,)| Show InChI InChI=1S/C22H30F3N3O2/c1-27(2)20(29)18(19(26)21(30)28-12-11-22(24,25)13-28)16-5-3-14(4-6-16)15-7-9-17(23)10-8-15/h7-10,14,16,18-19H,3-6,11-13,26H2,1-2H3/t14-,16-,18-,19-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50221976
((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)C1CCc2ncnn2C1 |w:23.34,wU:6.6,17.23,20.24,wD:5.4,(1.03,-21.75,;1.04,-23.29,;-.29,-24.06,;2.38,-24.05,;3.71,-23.28,;2.38,-25.59,;3.72,-26.36,;3.72,-27.9,;5.05,-25.58,;5.04,-24.04,;6.39,-26.35,;7.8,-25.71,;8.83,-26.85,;8.06,-28.19,;7.65,-29.67,;9.59,-28.42,;6.56,-27.88,;1.05,-26.37,;1.06,-27.92,;-.28,-28.69,;-1.61,-27.92,;-1.61,-26.37,;-.28,-25.6,;-2.95,-28.69,;-2.94,-30.22,;-4.27,-30.99,;-5.61,-30.22,;-7.08,-30.7,;-8,-29.46,;-7.09,-28.2,;-5.62,-28.68,;-4.28,-27.91,)| Show InChI InChI=1S/C22H34F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h13-16,18-19H,3-12,25H2,1-2H3/t14-,15+,16?,18-,19-/m0/s1 | PDB
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| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50221979
((2S,3S)-2-((1r,4S)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@@H](CC1)c1cccc2ncnn12 |wU:6.6,16.22,wD:5.4,19.23,13.13,(21.85,6.14,;21.85,4.6,;20.52,3.82,;23.19,3.83,;24.52,4.61,;23.2,2.29,;24.53,1.53,;24.54,-.01,;25.86,2.3,;25.86,3.84,;27.2,1.54,;28.61,2.17,;29.64,1.03,;28.88,-.31,;29.51,-1.71,;27.37,.01,;21.86,1.52,;21.87,-.03,;20.53,-.8,;19.2,-.04,;19.2,1.51,;20.53,2.28,;17.86,-.8,;16.53,-.03,;15.2,-.8,;15.2,-2.34,;16.54,-3.12,;16.88,-4.62,;18.41,-4.77,;19.02,-3.36,;17.87,-2.34,)| Show InChI InChI=1S/C22H31FN6O2/c1-27(2)21(30)19(20(24)22(31)28-11-10-16(23)12-28)15-8-6-14(7-9-15)17-4-3-5-18-25-13-26-29(17)18/h3-5,13-16,19-20H,6-12,24H2,1-2H3/t14-,15-,16-,19-,20-/m0/s1 | PDB
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| n/a | n/a | 5.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50221967
((2S,3S)-3-amino-2-(4'-fluoro-biphenyl-4-yl)-4-((S)...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H25F2N3O2/c1-26(2)21(28)19(20(25)22(29)27-12-11-18(24)13-27)16-5-3-14(4-6-16)15-7-9-17(23)10-8-15/h3-10,18-20H,11-13,25H2,1-2H3/t18-,19-,20-/m0/s1 | PDB
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| n/a | n/a | 6.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50221972
((2S,3S)-2-(4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)p...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2ncnn2c1 |r| Show InChI InChI=1S/C22H25FN6O2/c1-27(2)21(30)19(20(24)22(31)28-10-9-17(23)12-28)15-5-3-14(4-6-15)16-7-8-18-25-13-26-29(18)11-16/h3-8,11,13,17,19-20H,9-10,12,24H2,1-2H3/t17-,19-,20-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 8.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50221977
((2S,3S)-2-amino-3-(4'-fluoro-biphenyl-4-yl)-1-((S)...)Show SMILES C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H22F2N2O/c1-13(19(23)20(25)24-11-10-18(22)12-24)14-2-4-15(5-3-14)16-6-8-17(21)9-7-16/h2-9,13,18-19H,10-12,23H2,1H3/t13-,18-,19-/m0/s1 | PDB
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| n/a | n/a | 8.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50221977
((2S,3S)-2-amino-3-(4'-fluoro-biphenyl-4-yl)-1-((S)...)Show SMILES C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H22F2N2O/c1-13(19(23)20(25)24-11-10-18(22)12-24)14-2-4-15(5-3-14)16-6-8-17(21)9-7-16/h2-9,13,18-19H,10-12,23H2,1H3/t13-,18-,19-/m0/s1 | PDB
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PubMed
| n/a | n/a | 8.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50221970
((2S,3S)-2-((1r,4S)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)c1ccc2ncnn2c1 |wU:6.6,17.23,wD:20.24,5.4,(24.12,-9.73,;24.12,-11.27,;22.79,-12.05,;25.46,-12.04,;26.79,-11.26,;25.47,-13.58,;26.8,-14.34,;26.81,-15.88,;28.13,-13.57,;28.13,-12.03,;29.47,-14.33,;30.88,-13.7,;31.91,-14.84,;31.15,-16.18,;30.74,-17.66,;32.67,-16.4,;29.64,-15.86,;24.14,-14.35,;24.14,-15.9,;22.8,-16.67,;21.47,-15.9,;21.47,-14.36,;22.8,-13.59,;20.14,-16.67,;20.14,-18.21,;18.81,-18.98,;17.47,-18.21,;16,-18.69,;15.09,-17.44,;15.99,-16.18,;17.47,-16.66,;18.81,-15.9,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h7-8,11,13-15,18-19H,3-6,9-10,12,25H2,1-2H3/t14-,15-,18-,19-/m0/s1 | PDB
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Reactome pathway
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PubMed
| n/a | n/a | >9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50221975
((2S,3S)-2-((1s,4R)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)c1cccc2ncnn12 |wU:6.6,17.23,20.24,wD:5.4,(-.49,-9.42,;-.48,-10.96,;-1.82,-11.73,;.85,-11.72,;2.18,-10.95,;.86,-13.26,;2.19,-14.03,;2.2,-15.57,;3.53,-13.25,;3.52,-11.71,;4.86,-14.02,;6.27,-13.39,;7.31,-14.53,;6.54,-15.86,;6.13,-17.34,;8.06,-16.09,;5.03,-15.55,;-.47,-14.04,;-.47,-15.59,;-1.81,-16.36,;-3.14,-15.59,;-3.14,-14.05,;-1.81,-13.28,;-4.47,-16.36,;-5.8,-15.59,;-7.14,-16.35,;-7.14,-17.9,;-5.79,-18.67,;-5.46,-20.18,;-3.93,-20.32,;-3.32,-18.91,;-4.47,-17.89,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-11-10-22(23,24)12-29)15-8-6-14(7-9-15)16-4-3-5-17-26-13-27-30(16)17/h3-5,13-15,18-19H,6-12,25H2,1-2H3/t14-,15+,18-,19-/m0/s1 | PDB
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| n/a | n/a | 9.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50221983
((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-2-...)Show SMILES COc1cc(nc(OC)n1)[C@H]1CC[C@@H](CC1)[C@@H]([C@H](N)C(=O)N1CCC(F)(F)C1)C(=O)N(C)C |wU:13.14,17.19,wD:10.10,16.30,(18.37,-36.19,;17.04,-35.42,;17.03,-33.88,;18.36,-33.11,;18.35,-31.57,;17.02,-30.8,;15.69,-31.57,;14.36,-30.8,;14.36,-29.26,;15.69,-33.11,;19.69,-30.8,;21.02,-31.57,;22.36,-30.8,;22.35,-29.25,;21.02,-28.49,;19.69,-29.26,;23.69,-28.48,;25.02,-29.24,;25.03,-30.78,;26.35,-28.47,;26.35,-26.93,;27.69,-29.23,;29.1,-28.6,;30.13,-29.74,;29.37,-31.08,;28.96,-32.56,;30.89,-31.3,;27.86,-30.76,;23.68,-26.94,;25.01,-26.16,;22.34,-26.17,;22.34,-24.63,;21.01,-26.95,)| Show InChI InChI=1S/C22H33F2N5O4/c1-28(2)19(30)17(18(25)20(31)29-10-9-22(23,24)12-29)14-7-5-13(6-8-14)15-11-16(32-3)27-21(26-15)33-4/h11,13-14,17-18H,5-10,12,25H2,1-4H3/t13-,14-,17-,18-/m0/s1 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50221980
((2S,3S)-2-((1s,4R)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@H](CC1)c1cccc2ncnn12 |wU:6.6,16.22,19.23,wD:5.4,13.13,(-.72,5.67,;-.72,4.13,;-2.05,3.35,;.62,3.36,;1.95,4.14,;.62,1.82,;1.96,1.06,;1.97,-.48,;3.29,1.83,;3.29,3.37,;4.63,1.07,;6.04,1.7,;7.07,.56,;6.31,-.78,;6.94,-2.18,;4.8,-.46,;-.71,1.05,;-.7,-.5,;-2.04,-1.27,;-3.37,-.5,;-3.37,1.04,;-2.04,1.81,;-4.71,-1.27,;-6.04,-.5,;-7.37,-1.27,;-7.37,-2.81,;-6.03,-3.59,;-5.7,-5.09,;-4.16,-5.24,;-3.55,-3.83,;-4.7,-2.81,)| Show InChI InChI=1S/C22H31FN6O2/c1-27(2)21(30)19(20(24)22(31)28-11-10-16(23)12-28)15-8-6-14(7-9-15)17-4-3-5-18-25-13-26-29(17)18/h3-5,13-16,19-20H,6-12,24H2,1-2H3/t14-,15+,16-,19-,20-/m0/s1 | PDB
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PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50221982
(CHEMBL237547 | N-((1S,4r)-4-((2S,3S)-3-amino-4-((S...)Show SMILES C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@@H](CC1)NC(C)=O |wU:2.2,12.18,wD:1.0,15.19,9.9,(23.46,-31.67,;23.47,-33.21,;24.8,-33.97,;24.81,-35.51,;26.14,-33.2,;26.13,-31.66,;27.47,-33.96,;28.88,-33.33,;29.92,-34.47,;29.15,-35.81,;29.78,-37.21,;27.64,-35.49,;22.14,-33.98,;22.15,-35.52,;20.81,-36.29,;19.47,-35.52,;19.48,-33.98,;20.8,-33.21,;18.14,-34.75,;16.81,-35.52,;15.47,-34.74,;16.8,-37.06,)| Show InChI InChI=1S/C16H28FN3O2/c1-10(12-3-5-14(6-4-12)19-11(2)21)15(18)16(22)20-8-7-13(17)9-20/h10,12-15H,3-9,18H2,1-2H3,(H,19,21)/t10-,12-,13-,14-,15-/m0/s1 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50221976
((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)C1CCc2ncnn2C1 |w:23.34,wU:6.6,17.23,20.24,wD:5.4,(1.03,-21.75,;1.04,-23.29,;-.29,-24.06,;2.38,-24.05,;3.71,-23.28,;2.38,-25.59,;3.72,-26.36,;3.72,-27.9,;5.05,-25.58,;5.04,-24.04,;6.39,-26.35,;7.8,-25.71,;8.83,-26.85,;8.06,-28.19,;7.65,-29.67,;9.59,-28.42,;6.56,-27.88,;1.05,-26.37,;1.06,-27.92,;-.28,-28.69,;-1.61,-27.92,;-1.61,-26.37,;-.28,-25.6,;-2.95,-28.69,;-2.94,-30.22,;-4.27,-30.99,;-5.61,-30.22,;-7.08,-30.7,;-8,-29.46,;-7.09,-28.2,;-5.62,-28.68,;-4.28,-27.91,)| Show InChI InChI=1S/C22H34F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h13-16,18-19H,3-12,25H2,1-2H3/t14-,15+,16?,18-,19-/m0/s1 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50221982
(CHEMBL237547 | N-((1S,4r)-4-((2S,3S)-3-amino-4-((S...)Show SMILES C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@@H](CC1)NC(C)=O |wU:2.2,12.18,wD:1.0,15.19,9.9,(23.46,-31.67,;23.47,-33.21,;24.8,-33.97,;24.81,-35.51,;26.14,-33.2,;26.13,-31.66,;27.47,-33.96,;28.88,-33.33,;29.92,-34.47,;29.15,-35.81,;29.78,-37.21,;27.64,-35.49,;22.14,-33.98,;22.15,-35.52,;20.81,-36.29,;19.47,-35.52,;19.48,-33.98,;20.8,-33.21,;18.14,-34.75,;16.81,-35.52,;15.47,-34.74,;16.8,-37.06,)| Show InChI InChI=1S/C16H28FN3O2/c1-10(12-3-5-14(6-4-12)19-11(2)21)15(18)16(22)20-8-7-13(17)9-20/h10,12-15H,3-9,18H2,1-2H3,(H,19,21)/t10-,12-,13-,14-,15-/m0/s1 | PDB
MMDB
Reactome pathway
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50221974
((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-2-...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)c1ccc(F)cc1 |wU:6.6,17.23,20.24,wD:5.4,(.11,4.96,;.11,3.42,;-1.22,2.65,;1.45,2.66,;2.78,3.43,;1.46,1.12,;2.79,.35,;2.8,-1.19,;4.12,1.13,;4.12,2.67,;5.46,.36,;6.87,.99,;7.9,-.15,;7.14,-1.48,;6.73,-2.96,;8.66,-1.71,;5.63,-1.17,;.13,.34,;.13,-1.21,;-1.21,-1.98,;-2.54,-1.21,;-2.54,.33,;-1.21,1.11,;-3.87,-1.98,;-5.2,-1.21,;-6.54,-1.97,;-6.54,-3.51,;-7.87,-4.29,;-5.2,-4.29,;-3.87,-3.51,)| Show InChI InChI=1S/C22H30F3N3O2/c1-27(2)20(29)18(19(26)21(30)28-12-11-22(24,25)13-28)16-5-3-14(4-6-16)15-7-9-17(23)10-8-15/h7-10,14,16,18-19H,3-6,11-13,26H2,1-2H3/t14-,16+,18-,19-/m0/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50221972
((2S,3S)-2-(4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)p...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2ncnn2c1 |r| Show InChI InChI=1S/C22H25FN6O2/c1-27(2)21(30)19(20(24)22(31)28-10-9-17(23)12-28)15-5-3-14(4-6-15)16-7-8-18-25-13-26-29(18)11-16/h3-8,11,13,17,19-20H,9-10,12,24H2,1-2H3/t17-,19-,20-/m0/s1 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50221969
((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)C1CCc2ncnn2C1 |w:23.34,wU:6.6,17.23,wD:20.24,5.4,(25.99,-21.91,;25.99,-23.45,;24.66,-24.23,;27.33,-24.22,;28.66,-23.44,;27.33,-25.76,;28.67,-26.52,;28.68,-28.06,;30,-25.75,;29.99,-24.21,;31.34,-26.51,;32.75,-25.88,;33.78,-27.02,;33.02,-28.36,;32.6,-29.84,;34.54,-28.58,;31.51,-28.04,;26,-26.53,;26.01,-28.08,;24.67,-28.85,;23.34,-28.08,;23.34,-26.54,;24.67,-25.77,;22,-28.85,;22.01,-30.39,;20.68,-31.16,;19.34,-30.39,;17.87,-30.87,;16.95,-29.62,;17.86,-28.36,;19.33,-28.84,;20.67,-28.08,)| Show InChI InChI=1S/C22H34F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h13-16,18-19H,3-12,25H2,1-2H3/t14-,15-,16?,18-,19-/m0/s1 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50221973
((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-2-...)Show SMILES COc1cc(nc(OC)n1)[C@@H]1CC[C@@H](CC1)[C@@H]([C@H](N)C(=O)N1CCC(F)(F)C1)C(=O)N(C)C |wU:13.14,10.10,17.19,wD:16.30,(-5.4,-36.48,;-6.73,-35.72,;-6.74,-34.18,;-5.41,-33.4,;-5.41,-31.87,;-6.74,-31.1,;-8.08,-31.86,;-9.41,-31.09,;-9.41,-29.55,;-8.08,-33.4,;-4.08,-31.1,;-2.75,-31.87,;-1.41,-31.1,;-1.41,-29.55,;-2.75,-28.78,;-4.08,-29.56,;-.08,-28.77,;1.25,-29.54,;1.26,-31.08,;2.58,-28.76,;2.58,-27.22,;3.92,-29.53,;5.33,-28.9,;6.36,-30.04,;5.6,-31.37,;5.19,-32.85,;7.12,-31.6,;4.09,-31.06,;-.09,-27.23,;1.24,-26.46,;-1.43,-26.47,;-1.43,-24.93,;-2.76,-27.24,)| Show InChI InChI=1S/C22H33F2N5O4/c1-28(2)19(30)17(18(25)20(31)29-10-9-22(23,24)12-29)14-7-5-13(6-8-14)15-11-16(32-3)27-21(26-15)33-4/h11,13-14,17-18H,5-10,12,25H2,1-4H3/t13-,14+,17-,18-/m0/s1 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50221972
((2S,3S)-2-(4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)p...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2ncnn2c1 |r| Show InChI InChI=1S/C22H25FN6O2/c1-27(2)21(30)19(20(24)22(31)28-10-9-17(23)12-28)15-5-3-14(4-6-15)16-7-8-18-25-13-26-29(18)11-16/h3-8,11,13,17,19-20H,9-10,12,24H2,1-2H3/t17-,19-,20-/m0/s1 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50221981
((2S,3S)-2-((1s,4R)-4-([1,2,4]triazolo[1,5-a]pyridi...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)c1ccc2ncnn2c1 |wU:6.6,17.23,20.24,wD:5.4,(1.5,-8.86,;1.51,-10.4,;.18,-11.17,;2.84,-11.16,;4.17,-10.39,;2.85,-12.7,;4.19,-13.47,;4.19,-15.01,;5.52,-12.69,;5.51,-11.15,;6.85,-13.46,;8.26,-12.83,;9.3,-13.97,;8.53,-15.3,;8.12,-16.78,;10.05,-15.53,;7.02,-14.99,;1.52,-13.48,;1.52,-15.03,;.18,-15.8,;-1.15,-15.03,;-1.15,-13.49,;.18,-12.72,;-2.48,-15.8,;-2.48,-17.33,;-3.81,-18.11,;-5.15,-17.34,;-6.62,-17.82,;-7.53,-16.57,;-6.62,-15.31,;-5.15,-15.79,;-3.81,-15.03,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h7-8,11,13-15,18-19H,3-6,9-10,12,25H2,1-2H3/t14-,15+,18-,19-/m0/s1 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50221983
((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-2-...)Show SMILES COc1cc(nc(OC)n1)[C@H]1CC[C@@H](CC1)[C@@H]([C@H](N)C(=O)N1CCC(F)(F)C1)C(=O)N(C)C |wU:13.14,17.19,wD:10.10,16.30,(18.37,-36.19,;17.04,-35.42,;17.03,-33.88,;18.36,-33.11,;18.35,-31.57,;17.02,-30.8,;15.69,-31.57,;14.36,-30.8,;14.36,-29.26,;15.69,-33.11,;19.69,-30.8,;21.02,-31.57,;22.36,-30.8,;22.35,-29.25,;21.02,-28.49,;19.69,-29.26,;23.69,-28.48,;25.02,-29.24,;25.03,-30.78,;26.35,-28.47,;26.35,-26.93,;27.69,-29.23,;29.1,-28.6,;30.13,-29.74,;29.37,-31.08,;28.96,-32.56,;30.89,-31.3,;27.86,-30.76,;23.68,-26.94,;25.01,-26.16,;22.34,-26.17,;22.34,-24.63,;21.01,-26.95,)| Show InChI InChI=1S/C22H33F2N5O4/c1-28(2)19(30)17(18(25)20(31)29-10-9-22(23,24)12-29)14-7-5-13(6-8-14)15-11-16(32-3)27-21(26-15)33-4/h11,13-14,17-18H,5-10,12,25H2,1-4H3/t13-,14-,17-,18-/m0/s1 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50221967
((2S,3S)-3-amino-2-(4'-fluoro-biphenyl-4-yl)-4-((S)...)Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H25F2N3O2/c1-26(2)21(28)19(20(25)22(29)27-12-11-18(24)13-27)16-5-3-14(4-6-16)15-7-9-17(23)10-8-15/h3-10,18-20H,11-13,25H2,1-2H3/t18-,19-,20-/m0/s1 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
Bioorg Med Chem Lett 17: 5806-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN |
More data for this
Ligand-Target Pair | |
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