Found 379 hits with Last Name = 'andrews' and Initial = 'km' 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
(Rattus norvegicus (rat)) | BDBM50338518
(1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...)Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in rat plasma |
Bioorg Med Chem Lett 21: 1810-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50338518
(1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...)Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/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
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 21: 1810-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50140541
((S)-2-Amino-2-cyclohexyl-1-(3,3-difluoro-pyrrolidi...)Show InChI InChI=1S/C12H20F2N2O/c13-12(14)6-7-16(8-12)11(17)10(15)9-4-2-1-3-5-9/h9-10H,1-8,15H2/t10-/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
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity |
Bioorg Med Chem Lett 15: 4770-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50140527
((S)-2-Amino-2-cyclohexyl-1-((S)-3-fluoro-pyrrolidi...)Show InChI InChI=1S/C12H21FN2O/c13-10-6-7-15(8-10)12(16)11(14)9-4-2-1-3-5-9/h9-11H,1-8,14H2/t10-,11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity |
Bioorg Med Chem Lett 15: 4770-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50172141
((S)-2-Amino-2-cyclohexyl-1-(3,4-difluoro-pyrrolidi...)Show InChI InChI=1S/C12H20F2N2O/c13-9-6-16(7-10(9)14)12(17)11(15)8-4-2-1-3-5-8/h8-11H,1-7,15H2/t9?,10?,11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory constant against Dipeptidylpeptidase IV calculated from IC50 from standard dose inhibition curve using cheng-Prussoff equation; range=61+/... |
Bioorg Med Chem Lett 15: 4770-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50172144
((S)-2-Amino-2-cyclohexyl-1-(2,3,4,5-tetrafluoro-py...)Show InChI InChI=1S/C12H18F4N2O/c13-7-8(14)11(16)18(10(7)15)12(19)9(17)6-4-2-1-3-5-6/h6-11H,1-5,17H2/t7?,8?,9-,10?,11?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity |
Bioorg Med Chem Lett 15: 4770-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50172143
((S)-2-Amino-2-cyclohexyl-1-(3-fluoro-azetidin-1-yl...)Show InChI InChI=1S/C11H19FN2O/c12-9-6-14(7-9)11(15)10(13)8-4-2-1-3-5-8/h8-10H,1-7,13H2/t10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 109 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity |
Bioorg Med Chem Lett 15: 4770-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50172139
((S)-2-Amino-2-cyclohexyl-1-(3,3-difluoro-azetidin-...)Show InChI InChI=1S/C11H18F2N2O/c12-11(13)6-15(7-11)10(16)9(14)8-4-2-1-3-5-8/h8-9H,1-7,14H2/t9-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity |
Bioorg Med Chem Lett 15: 4770-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM12191
((2S)-2-amino-2-cyclohexyl-1-(pyrrolidin-1-yl)ethan...)Show InChI InChI=1S/C12H22N2O/c13-11(10-6-2-1-3-7-10)12(15)14-8-4-5-9-14/h10-11H,1-9,13H2/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 121 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity |
Bioorg Med Chem Lett 15: 4770-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50140539
((S)-2-Amino-2-cyclohexyl-1-((R)-3-fluoro-pyrrolidi...)Show InChI InChI=1S/C12H21FN2O/c13-10-6-7-15(8-10)12(16)11(14)9-4-2-1-3-5-9/h9-11H,1-8,14H2/t10-,11+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 128 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity |
Bioorg Med Chem Lett 15: 4770-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50172145
((S)-2-Amino-2-cyclohexyl-1-((3R,4R)-3,4-difluoro-p...)Show SMILES N[C@@H](C1CCCCC1)C(=O)N1C[C@@H](F)[C@H](F)C1 Show InChI InChI=1S/C12H20F2N2O/c13-9-6-16(7-10(9)14)12(17)11(15)8-4-2-1-3-5-8/h8-11H,1-7,15H2/t9-,10-,11+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 504 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity |
Bioorg Med Chem Lett 15: 4770-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50172140
((S)-2-Amino-2-cyclohexyl-1-((3S,4S)-3,4-difluoro-p...)Show SMILES N[C@@H](C1CCCCC1)C(=O)N1C[C@H](F)[C@@H](F)C1 Show InChI InChI=1S/C12H20F2N2O/c13-9-6-16(7-10(9)14)12(17)11(15)8-4-2-1-3-5-8/h8-11H,1-7,15H2/t9-,10-,11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity |
Bioorg Med Chem Lett 15: 4770-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50172142
((S)-2-Amino-1-azetidin-1-yl-2-cyclohexyl-ethanone ...)Show InChI InChI=1S/C11H20N2O/c12-10(9-5-2-1-3-6-9)11(14)13-7-4-8-13/h9-10H,1-8,12H2/t10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity |
Bioorg Med Chem Lett 15: 4770-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50338518
(1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...)Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 |
Bioorg Med Chem Lett 21: 1810-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 3
(Homo sapiens (Human)) | BDBM50338518
(1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...)Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DPP3 |
Bioorg Med Chem Lett 21: 1810-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM50338518
(1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...)Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DPP2 |
Bioorg Med Chem Lett 21: 1810-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM50338518
(1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...)Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of FAP |
Bioorg Med Chem Lett 21: 1810-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Homo sapiens (Human)) | BDBM50338518
(1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...)Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of POP |
Bioorg Med Chem Lett 21: 1810-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7 |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50390333
(CHEMBL2070733)Show SMILES Nc1nc(nc2n(C[C@H]3CN(Cc4nccs4)CCO3)nnc12)C1CC1 |r| Show InChI InChI=1S/C16H20N8OS/c17-14-13-16(20-15(19-14)10-1-2-10)24(22-21-13)8-11-7-23(4-5-25-11)9-12-18-3-6-26-12/h3,6,10-11H,1-2,4-5,7-9H2,(H2,17,19,20)/t11-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells |
Bioorg Med Chem Lett 22: 5721-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50390334
(CHEMBL2070735)Show SMILES Cc1nc(N)c2nnn(C[C@H]3CN(Cc4nccs4)CCO3)c2n1 |r| Show InChI InChI=1S/C14H18N8OS/c1-9-17-13(15)12-14(18-9)22(20-19-12)7-10-6-21(3-4-23-10)8-11-16-2-5-24-11/h2,5,10H,3-4,6-8H2,1H3,(H2,15,17,18)/t10-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells |
Bioorg Med Chem Lett 22: 5721-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50338507
((3R,4S)-1-(6-(6,7-dihydroisoxazolo[4,3-c]pyridin-5...)Show SMILES N[C@H]1CN(C[C@@H]1c1ccccc1)c1cc(ncn1)N1CCc2nocc2C1 |r| Show InChI InChI=1S/C20H22N6O/c21-17-11-26(10-16(17)14-4-2-1-3-5-14)20-8-19(22-13-23-20)25-7-6-18-15(9-25)12-27-24-18/h1-5,8,12-13,16-17H,6-7,9-11,21H2/t16-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 21: 1810-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7 |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50390332
(CHEMBL2070732)Show SMILES Nc1nc(nc2n(C[C@H]3CN(Cc4ccccn4)CCO3)nnc12)C(F)(F)F |r| Show InChI InChI=1S/C16H17F3N8O/c17-16(18,19)15-22-13(20)12-14(23-15)27(25-24-12)9-11-8-26(5-6-28-11)7-10-3-1-2-4-21-10/h1-4,11H,5-9H2,(H2,20,22,23)/t11-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells |
Bioorg Med Chem Lett 22: 5721-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A
(Homo sapiens (Human)) | BDBM50390334
(CHEMBL2070735)Show SMILES Cc1nc(N)c2nnn(C[C@H]3CN(Cc4nccs4)CCO3)c2n1 |r| Show InChI InChI=1S/C14H18N8OS/c1-9-17-13(15)12-14(18-9)22(20-19-12)7-10-6-21(3-4-23-10)8-11-16-2-5-24-11/h2,5,10H,3-4,6-8H2,1H3,(H2,15,17,18)/t10-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8A |
Bioorg Med Chem Lett 22: 5721-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50390373
(CHEMBL2070914)Show InChI InChI=1S/C17H18N6O/c18-15-14-17(20-16(19-15)11-5-6-11)23(22-21-14)9-13-12-4-2-1-3-10(12)7-8-24-13/h1-4,11,13H,5-9H2,(H2,18,19,20) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.63 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells |
Bioorg Med Chem Lett 22: 5721-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50390335
(CHEMBL2070736)Show SMILES CCc1csc(CN2CCO[C@@H](Cn3nnc4c(N)nc(C)nc34)C2)n1 |r| Show InChI InChI=1S/C16H22N8OS/c1-3-11-9-26-13(20-11)8-23-4-5-25-12(6-23)7-24-16-14(21-22-24)15(17)18-10(2)19-16/h9,12H,3-8H2,1-2H3,(H2,17,18,19)/t12-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells |
Bioorg Med Chem Lett 22: 5721-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50249516
(CHEMBL514011 | cis-2-(4-((3S,5S)-5-(3,3-difluoropy...)Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccc1C#N |r| Show InChI InChI=1S/C19H24F2N6O/c20-19(21)3-5-27(13-19)18(28)16-10-15(12-24-16)25-6-8-26(9-7-25)17-14(11-22)2-1-4-23-17/h1-2,4,15-16,24H,3,5-10,12-13H2/t15-,16-/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 | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 19: 1991-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.041
BindingDB Entry DOI: 10.7270/Q2FB52S4 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM15494
(3-{6-[(3R,4S)-3-amino-4-(2,4,5-trifluorophenyl)pyr...)Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C21H17F3N4O2/c22-15-6-17(24)16(23)5-13(15)14-8-28(9-18(14)25)20-7-19(26-10-27-20)11-2-1-3-12(4-11)21(29)30/h1-7,10,14,18H,8-9,25H2,(H,29,30)/t14-,18+/m1/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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP4 |
Bioorg Med Chem Lett 17: 5638-42 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.081
BindingDB Entry DOI: 10.7270/Q2319WRX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50249515
(CHEMBL474410 | cis-(3,3-difluoropyrrolidin-1-yl)((...)Show SMILES FC(F)(F)c1ccc(nc1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C19H24F5N5O/c20-18(21)3-4-29(12-18)17(30)15-9-14(11-25-15)27-5-7-28(8-6-27)16-2-1-13(10-26-16)19(22,23)24/h1-2,10,14-15,25H,3-9,11-12H2/t14-,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 | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 19: 1991-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.041
BindingDB Entry DOI: 10.7270/Q2FB52S4 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50249548
(CHEMBL475586 | cis-(3,3-difluoropyrrolidin-1-yl)((...)Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nc2cccnc2o1 |r| Show InChI InChI=1S/C19H24F2N6O2/c20-19(21)3-5-27(12-19)17(28)15-10-13(11-23-15)25-6-8-26(9-7-25)18-24-14-2-1-4-22-16(14)29-18/h1-2,4,13,15,23H,3,5-12H2/t13-,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 | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 19: 1991-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.041
BindingDB Entry DOI: 10.7270/Q2FB52S4 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50249514
(CHEMBL474409 | cis-(3,3-difluoropyrrolidin-1-yl)((...)Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1cnccn1 |r| Show InChI InChI=1S/C17H24F2N6O/c18-17(19)1-4-25(12-17)16(26)14-9-13(10-22-14)23-5-7-24(8-6-23)15-11-20-2-3-21-15/h2-3,11,13-14,22H,1,4-10,12H2/t13-,14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 19: 1991-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.041
BindingDB Entry DOI: 10.7270/Q2FB52S4 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50249513
(CHEMBL475574 | cis-(3,3-difluoropyrrolidin-1-yl)((...)Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nc2cnccc2o1 |r| Show InChI InChI=1S/C19H24F2N6O2/c20-19(21)2-4-27(12-19)17(28)14-9-13(10-23-14)25-5-7-26(8-6-25)18-24-15-11-22-3-1-16(15)29-18/h1,3,11,13-14,23H,2,4-10,12H2/t13-,14-/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 | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 19: 1991-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.041
BindingDB Entry DOI: 10.7270/Q2FB52S4 |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50390366
(CHEMBL2070935)Show SMILES CC(C)(C)c1cc(Cn2nnc3c(N)nc(nc23)C2CC2)[nH]n1 Show InChI InChI=1S/C15H20N8/c1-15(2,3)10-6-9(19-20-10)7-23-14-11(21-22-23)12(16)17-13(18-14)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,19,20)(H2,16,17,18) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.79 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells |
Bioorg Med Chem Lett 22: 5721-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50390324
(CHEMBL2070604)Show InChI InChI=1S/C14H16N8/c15-12-11-14(17-13(16-12)8-3-4-8)22(21-20-11)6-9-5-10(19-18-9)7-1-2-7/h5,7-8H,1-4,6H2,(H,18,19)(H2,15,16,17) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells |
Bioorg Med Chem Lett 22: 5721-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50249512
(CHEMBL475573 | cis-(3,3-difluoropyrrolidin-1-yl)((...)Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nc2ccncc2o1 |r| Show InChI InChI=1S/C19H24F2N6O2/c20-19(21)2-4-27(12-19)17(28)15-9-13(10-23-15)25-5-7-26(8-6-25)18-24-14-1-3-22-11-16(14)29-18/h1,3,11,13,15,23H,2,4-10,12H2/t13-,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 | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 19: 1991-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.041
BindingDB Entry DOI: 10.7270/Q2FB52S4 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50249481
(CHEMBL515597 | cis-((2S,4S)-4-(4-(benzo[d]oxazol-2...)Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C20H25F2N5O2/c21-20(22)5-6-27(13-20)18(28)16-11-14(12-23-16)25-7-9-26(10-8-25)19-24-15-3-1-2-4-17(15)29-19/h1-4,14,16,23H,5-13H2/t14-,16-/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 | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 19: 1991-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.041
BindingDB Entry DOI: 10.7270/Q2FB52S4 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50338517
(1-((3S,4S)-4-amino-1-(6-(3,3-difluoropyrrolidin-1-...)Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1cc(ncn1)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C17H22F4N6O/c18-16(19)2-1-15(28)27(9-16)12-7-26(6-11(12)22)14-5-13(23-10-24-14)25-4-3-17(20,21)8-25/h5,10-12H,1-4,6-9,22H2/t11-,12-/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 | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 21: 1810-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50249480
(CHEMBL475246 | cis-((2S,4S)-4-(4-(benzo[d]isoxazol...)Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1noc2ccccc12 |r| Show InChI InChI=1S/C20H25F2N5O2/c21-20(22)5-6-27(13-20)19(28)16-11-14(12-23-16)25-7-9-26(10-8-25)18-15-3-1-2-4-17(15)29-24-18/h1-4,14,16,23H,5-13H2/t14-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 19: 1991-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.041
BindingDB Entry DOI: 10.7270/Q2FB52S4 |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50390313
(CHEMBL2070595)Show InChI InChI=1S/C13H18N6O/c14-11-10-13(16-12(15-11)8-4-5-8)19(18-17-10)7-9-3-1-2-6-20-9/h8-9H,1-7H2,(H2,14,15,16) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells |
Bioorg Med Chem Lett 22: 5721-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50249479
(2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carb...)Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r| Show InChI InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1 | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 19: 1991-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.041
BindingDB Entry DOI: 10.7270/Q2FB52S4 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50338509
(1-((3S,4S)-4-amino-1-(6-(6,7-dihydroisoxazolo[4,3-...)Show SMILES N[C@H]1CN(C[C@@H]1N1CCCCC1=O)c1cc(ncn1)N1CCc2nocc2C1 |r| Show InChI InChI=1S/C19H25N7O2/c20-14-9-25(10-16(14)26-5-2-1-3-19(26)27)18-7-17(21-12-22-18)24-6-4-15-13(8-24)11-28-23-15/h7,11-12,14,16H,1-6,8-10,20H2/t14-,16-/m0/s1 | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 21: 1810-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7 |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50390352
(CHEMBL2070901)Show InChI InChI=1S/C17H20N6OS/c18-16-15-17(23(22-21-15)10-12-6-4-5-9-24-12)20-14(19-16)11-25-13-7-2-1-3-8-13/h1-3,7-8,12H,4-6,9-11H2,(H2,18,19,20) | Reactome pathway
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| n/a | n/a | 12.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells |
Bioorg Med Chem Lett 22: 5721-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50249479
(2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carb...)Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r| Show InChI InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP4 |
Bioorg Med Chem Lett 19: 1991-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.041
BindingDB Entry DOI: 10.7270/Q2FB52S4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50338519
(1-((3S,4S)-4-amino-1-(6-(3,3-difluoropyrrolidin-1-...)Show SMILES Cc1nc(cc(n1)N1C[C@H](N)[C@H](C1)N1CC(F)(F)CCC1=O)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C18H24F4N6O/c1-11-24-14(26-5-4-18(21,22)9-26)6-15(25-11)27-7-12(23)13(8-27)28-10-17(19,20)3-2-16(28)29/h6,12-13H,2-5,7-10,23H2,1H3/t12-,13-/m0/s1 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 21: 1810-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50338504
((3R,4S)-4-phenyl-1-(6-(2,3,5-trifluorophenyl)pyrim...)Show SMILES N[C@H]1CN(C[C@@H]1c1ccccc1)c1cc(ncn1)-c1cc(F)cc(F)c1F |r| Show InChI InChI=1S/C20H17F3N4/c21-13-6-14(20(23)16(22)7-13)18-8-19(26-11-25-18)27-9-15(17(24)10-27)12-4-2-1-3-5-12/h1-8,11,15,17H,9-10,24H2/t15-,17+/m1/s1 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 21: 1810-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50249552
(CHEMBL474421 | cis-((3S,4R)-3,4-difluoropyrrolidin...)Show SMILES F[C@H]1CN(C[C@H]1F)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r| Show InChI InChI=1S/C17H24F2N6O/c18-13-10-25(11-14(13)19)16(26)15-8-12(9-22-15)23-4-6-24(7-5-23)17-20-2-1-3-21-17/h1-3,12-15,22H,4-11H2/t12-,13-,14+,15-/m0/s1 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 19: 1991-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.041
BindingDB Entry DOI: 10.7270/Q2FB52S4 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM50249479
(2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carb...)Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r| Show InChI InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of rat plasma DPP4 |
Bioorg Med Chem Lett 19: 1991-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.041
BindingDB Entry DOI: 10.7270/Q2FB52S4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50390367
(CHEMBL2070907)Show InChI InChI=1S/C14H17N7OS/c1-8-16-10(7-23-8)13-17-12(15)11-14(18-13)21(20-19-11)6-9-4-2-3-5-22-9/h7,9H,2-6H2,1H3,(H2,15,17,18) | Reactome pathway
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| n/a | n/a | 13.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells |
Bioorg Med Chem Lett 22: 5721-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50390309
(CHEMBL2070591)Show InChI InChI=1S/C11H13F3N6O/c12-11(13,14)10-16-8(15)7-9(17-10)20(19-18-7)5-6-3-1-2-4-21-6/h6H,1-5H2,(H2,15,16,17) | Reactome pathway
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells |
Bioorg Med Chem Lett 22: 5721-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50221102
(CHEMBL236719 | N-(3-(6-((3R,4S)-3-amino-4-(2,4,5-t...)Show SMILES CC(=O)Nc1cccc(c1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F Show InChI InChI=1S/C22H20F3N5O/c1-12(31)29-14-4-2-3-13(5-14)21-8-22(28-11-27-21)30-9-16(20(26)10-30)15-6-18(24)19(25)7-17(15)23/h2-8,11,16,20H,9-10,26H2,1H3,(H,29,31)/t16-,20+/m1/s1 | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP4 |
Bioorg Med Chem Lett 17: 5638-42 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.081
BindingDB Entry DOI: 10.7270/Q2319WRX |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50390308
(CHEMBL2070592)Show InChI InChI=1S/C10H11F3N6O/c11-10(12,13)9-15-7(14)6-8(16-9)19(18-17-6)4-5-2-1-3-20-5/h5H,1-4H2,(H2,14,15,16)/t5-/m1/s1 | Reactome pathway
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells |
Bioorg Med Chem Lett 22: 5721-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X |
More data for this
Ligand-Target Pair | |
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