Found 176 hits with Last Name = 'kitajima' and Initial = 'h' 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)) | BDBM50166318
((S)-1-[(2S,4S)-4-(3-Chloro-4-cyano-phenylamino)-py...)Show SMILES Clc1cc(N[C@@H]2CN[C@@H](C2)C(=O)N2CCC[C@H]2C#N)ccc1C#N Show InChI InChI=1S/C17H18ClN5O/c18-15-6-12(4-3-11(15)8-19)22-13-7-16(21-10-13)17(24)23-5-1-2-14(23)9-20/h3-4,6,13-14,16,21-22H,1-2,5,7,10H2/t13-,14-,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 | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human dipeptidyl-peptidase IV |
Bioorg Med Chem Lett 15: 2441-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50166319
(4-[(3S,5S)-5-((S)-2-Cyano-pyrrolidine-1-carbonyl)-...)Show SMILES O=C([C@@H]1C[C@@H](CN1)Nc1ccc(C#N)c(c1)C#N)N1CCC[C@H]1C#N Show InChI InChI=1S/C18H18N6O/c19-8-12-3-4-14(6-13(12)9-20)23-15-7-17(22-11-15)18(25)24-5-1-2-16(24)10-21/h3-4,6,15-17,22-23H,1-2,5,7,11H2/t15-,16-,17-/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 | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human dipeptidyl-peptidase IV |
Bioorg Med Chem Lett 15: 2441-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM50166318
((S)-1-[(2S,4S)-4-(3-Chloro-4-cyano-phenylamino)-py...)Show SMILES Clc1cc(N[C@@H]2CN[C@@H](C2)C(=O)N2CCC[C@H]2C#N)ccc1C#N Show InChI InChI=1S/C17H18ClN5O/c18-15-6-12(4-3-11(15)8-19)22-13-7-16(21-10-13)17(24)23-5-1-2-14(23)9-20/h3-4,6,13-14,16,21-22H,1-2,5,7,10H2/t13-,14-,16-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV |
Bioorg Med Chem Lett 15: 2441-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM50166319
(4-[(3S,5S)-5-((S)-2-Cyano-pyrrolidine-1-carbonyl)-...)Show SMILES O=C([C@@H]1C[C@@H](CN1)Nc1ccc(C#N)c(c1)C#N)N1CCC[C@H]1C#N Show InChI InChI=1S/C18H18N6O/c19-8-12-3-4-14(6-13(12)9-20)23-15-7-17(22-11-15)18(25)24-5-1-2-16(24)10-21/h3-4,6,15-17,22-23H,1-2,5,7,11H2/t15-,16-,17-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV |
Bioorg Med Chem Lett 15: 2441-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM50166308
((S)-1-[(2S,4S)-4-(4-Nitro-phenylamino)-pyrrolidine...)Show SMILES [O-][N+](=O)c1ccc(N[C@@H]2CN[C@@H](C2)C(=O)N2CCC[C@H]2C#N)cc1 Show InChI InChI=1S/C16H19N5O3/c17-9-14-2-1-7-20(14)16(22)15-8-12(10-18-15)19-11-3-5-13(6-4-11)21(23)24/h3-6,12,14-15,18-19H,1-2,7-8,10H2/t12-,14-,15-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV |
Bioorg Med Chem Lett 15: 2441-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM50391561
(CHEMBL2147704)Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nnnn1-c1ccccc1)N1CCSC1 |r| Show InChI InChI=1S/C19H26N8OS/c28-18(26-10-11-29-14-26)17-12-16(13-20-17)24-6-8-25(9-7-24)19-21-22-23-27(19)15-4-2-1-3-5-15/h1-5,16-17,20H,6-14H2/t16-,17-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 20: 5705-19 (2012)
Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50166308
((S)-1-[(2S,4S)-4-(4-Nitro-phenylamino)-pyrrolidine...)Show SMILES [O-][N+](=O)c1ccc(N[C@@H]2CN[C@@H](C2)C(=O)N2CCC[C@H]2C#N)cc1 Show InChI InChI=1S/C16H19N5O3/c17-9-14-2-1-7-20(14)16(22)15-8-12(10-18-15)19-11-3-5-13(6-4-11)21(23)24/h3-6,12,14-15,18-19H,1-2,7-8,10H2/t12-,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 | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human dipeptidyl-peptidase IV |
Bioorg Med Chem Lett 15: 2441-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM50391559
(CHEMBL2147703)Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nccn1-c1ccccc1)N1CCSC1 |r| Show InChI InChI=1S/C21H28N6OS/c28-20(26-12-13-29-16-26)19-14-18(15-23-19)24-8-10-25(11-9-24)21-22-6-7-27(21)17-4-2-1-3-5-17/h1-7,18-19,23H,8-16H2/t18-,19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 20: 5705-19 (2012)
Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50166320
((S)-1-[(2S,4S)-4-(4-Cyano-phenylamino)-pyrrolidine...)Show SMILES O=C([C@@H]1C[C@@H](CN1)Nc1ccc(cc1)C#N)N1CCC[C@H]1C#N Show InChI InChI=1S/C17H19N5O/c18-9-12-3-5-13(6-4-12)21-14-8-16(20-11-14)17(23)22-7-1-2-15(22)10-19/h3-6,14-16,20-21H,1-2,7-8,11H2/t14-,15-,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 | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human dipeptidyl-peptidase IV |
Bioorg Med Chem Lett 15: 2441-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391561
(CHEMBL2147704)Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nnnn1-c1ccccc1)N1CCSC1 |r| Show InChI InChI=1S/C19H26N8OS/c28-18(26-10-11-29-14-26)17-12-16(13-20-17)24-6-8-25(9-7-24)19-21-22-23-27(19)15-4-2-1-3-5-15/h1-5,16-17,20H,6-14H2/t16-,17-/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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 20: 5705-19 (2012)
Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM50166309
((S)-1-[(2S,4S)-4-(3,4-Dimethoxy-phenylamino)-pyrro...)Show SMILES COc1ccc(N[C@@H]2CN[C@@H](C2)C(=O)N2CCC[C@H]2C#N)cc1OC Show InChI InChI=1S/C18H24N4O3/c1-24-16-6-5-12(9-17(16)25-2)21-13-8-15(20-11-13)18(23)22-7-3-4-14(22)10-19/h5-6,9,13-15,20-21H,3-4,7-8,11H2,1-2H3/t13-,14-,15-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV |
Bioorg Med Chem Lett 15: 2441-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50166315
(6-((3S,5S)-5-((S)-2-cyanopyrrolidine-1-carbonyl)py...)Show SMILES O=C([C@@H]1C[C@@H](CN1)Nc1ccc(cn1)C#N)N1CCC[C@H]1C#N Show InChI InChI=1S/C16H18N6O/c17-7-11-3-4-15(20-9-11)21-12-6-14(19-10-12)16(23)22-5-1-2-13(22)8-18/h3-4,9,12-14,19H,1-2,5-6,10H2,(H,20,21)/t12-,13-,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 | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human dipeptidyl-peptidase IV |
Bioorg Med Chem Lett 15: 2441-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50166315
(6-((3S,5S)-5-((S)-2-cyanopyrrolidine-1-carbonyl)py...)Show SMILES O=C([C@@H]1C[C@@H](CN1)Nc1ccc(cn1)C#N)N1CCC[C@H]1C#N Show InChI InChI=1S/C16H18N6O/c17-7-11-3-4-15(20-9-11)21-12-6-14(19-10-12)16(23)22-5-1-2-13(22)8-18/h3-4,9,12-14,19H,1-2,5-6,10H2,(H,20,21)/t12-,13-,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 | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay |
Bioorg Med Chem 15: 641-55 (2006)
Article DOI: 10.1016/j.bmc.2006.10.059
BindingDB Entry DOI: 10.7270/Q21N81X1 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM50166320
((S)-1-[(2S,4S)-4-(4-Cyano-phenylamino)-pyrrolidine...)Show SMILES O=C([C@@H]1C[C@@H](CN1)Nc1ccc(cc1)C#N)N1CCC[C@H]1C#N Show InChI InChI=1S/C17H19N5O/c18-9-12-3-5-13(6-4-12)21-14-8-16(20-11-14)17(23)22-7-1-2-15(22)10-19/h3-6,14-16,20-21H,1-2,7-8,11H2/t14-,15-,16-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV |
Bioorg Med Chem Lett 15: 2441-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391559
(CHEMBL2147703)Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nccn1-c1ccccc1)N1CCSC1 |r| Show InChI InChI=1S/C21H28N6OS/c28-20(26-12-13-29-16-26)19-14-18(15-23-19)24-8-10-25(11-9-24)21-22-6-7-27(21)17-4-2-1-3-5-17/h1-7,18-19,23H,8-16H2/t18-,19-/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 | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 20: 5705-19 (2012)
Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM50166315
(6-((3S,5S)-5-((S)-2-cyanopyrrolidine-1-carbonyl)py...)Show SMILES O=C([C@@H]1C[C@@H](CN1)Nc1ccc(cn1)C#N)N1CCC[C@H]1C#N Show InChI InChI=1S/C16H18N6O/c17-7-11-3-4-15(20-9-11)21-12-6-14(19-10-12)16(23)22-5-1-2-13(22)8-18/h3-4,9,12-14,19H,1-2,5-6,10H2,(H,20,21)/t12-,13-,14-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV |
Bioorg Med Chem Lett 15: 2441-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM50166317
((S)-1-[(2S,4S)-4-(4-Methoxy-phenylamino)-pyrrolidi...)Show SMILES COc1ccc(N[C@@H]2CN[C@@H](C2)C(=O)N2CCC[C@H]2C#N)cc1 Show InChI InChI=1S/C17H22N4O2/c1-23-15-6-4-12(5-7-15)20-13-9-16(19-11-13)17(22)21-8-2-3-14(21)10-18/h4-7,13-14,16,19-20H,2-3,8-9,11H2,1H3/t13-,14-,16-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV |
Bioorg Med Chem Lett 15: 2441-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50166309
((S)-1-[(2S,4S)-4-(3,4-Dimethoxy-phenylamino)-pyrro...)Show SMILES COc1ccc(N[C@@H]2CN[C@@H](C2)C(=O)N2CCC[C@H]2C#N)cc1OC Show InChI InChI=1S/C18H24N4O3/c1-24-16-6-5-12(9-17(16)25-2)21-13-8-15(20-11-13)18(23)22-7-3-4-14(22)10-19/h5-6,9,13-15,20-21H,3-4,7-8,11H2,1-2H3/t13-,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 | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human dipeptidyl-peptidase IV |
Bioorg Med Chem Lett 15: 2441-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM50391565
(CHEMBL2147777)Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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| Purchase
CHEMBL
MCE
MMDB
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PDB
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| PDB
Article
PubMed
| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 20: 5705-19 (2012)
Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391570
(CHEMBL2147712)Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1cccc(F)c1 |r| Show InChI InChI=1S/C22H29FN6OS/c1-16-11-21(29(25-16)18-4-2-3-17(23)12-18)27-7-5-26(6-8-27)19-13-20(24-14-19)22(30)28-9-10-31-15-28/h2-4,11-12,19-20,24H,5-10,13-15H2,1H3/t19-,20-/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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 20: 5705-19 (2012)
Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM50391567
(CHEMBL2147709)Show SMILES FC(F)(F)c1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C22H27F3N6OS/c23-22(24,25)19-13-20(31(27-19)16-4-2-1-3-5-16)29-8-6-28(7-9-29)17-12-18(26-14-17)21(32)30-10-11-33-15-30/h1-5,13,17-18,26H,6-12,14-15H2/t17-,18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 20: 5705-19 (2012)
Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391567
(CHEMBL2147709)Show SMILES FC(F)(F)c1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C22H27F3N6OS/c23-22(24,25)19-13-20(31(27-19)16-4-2-1-3-5-16)29-8-6-28(7-9-29)17-12-18(26-14-17)21(32)30-10-11-33-15-30/h1-5,13,17-18,26H,6-12,14-15H2/t17-,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 | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 20: 5705-19 (2012)
Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50166317
((S)-1-[(2S,4S)-4-(4-Methoxy-phenylamino)-pyrrolidi...)Show SMILES COc1ccc(N[C@@H]2CN[C@@H](C2)C(=O)N2CCC[C@H]2C#N)cc1 Show InChI InChI=1S/C17H22N4O2/c1-23-15-6-4-12(5-7-15)20-13-9-16(19-11-13)17(22)21-8-2-3-14(21)10-18/h4-7,13-14,16,19-20H,2-3,8-9,11H2,1H3/t13-,14-,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 | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human dipeptidyl-peptidase IV |
Bioorg Med Chem Lett 15: 2441-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50388112
(CHEMBL2058971)Show SMILES FC(F)(F)c1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)c2ccccc2n1 |r| Show InChI InChI=1S/C22H26F3N5OS/c23-22(24,25)20-12-19(16-3-1-2-4-17(16)27-20)29-7-5-28(6-8-29)15-11-18(26-13-15)21(31)30-9-10-32-14-30/h1-4,12,15,18,26H,5-11,13-14H2/t15-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 20: 5705-19 (2012)
Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391565
(CHEMBL2147777)Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 20: 5705-19 (2012)
Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM50391570
(CHEMBL2147712)Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1cccc(F)c1 |r| Show InChI InChI=1S/C22H29FN6OS/c1-16-11-21(29(25-16)18-4-2-3-17(23)12-18)27-7-5-26(6-8-27)19-13-20(24-14-19)22(30)28-9-10-31-15-28/h2-4,11-12,19-20,24H,5-10,13-15H2,1H3/t19-,20-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 20: 5705-19 (2012)
Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50166311
((S)-1-((2S,4S)-4-Phenylamino-pyrrolidine-2-carbony...)Show SMILES O=C([C@@H]1C[C@@H](CN1)Nc1ccccc1)N1CCC[C@H]1C#N Show InChI InChI=1S/C16H20N4O/c17-10-14-7-4-8-20(14)16(21)15-9-13(11-18-15)19-12-5-2-1-3-6-12/h1-3,5-6,13-15,18-19H,4,7-9,11H2/t13-,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 | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human dipeptidyl-peptidase IV |
Bioorg Med Chem Lett 15: 2441-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM50166311
((S)-1-((2S,4S)-4-Phenylamino-pyrrolidine-2-carbony...)Show SMILES O=C([C@@H]1C[C@@H](CN1)Nc1ccccc1)N1CCC[C@H]1C#N Show InChI InChI=1S/C16H20N4O/c17-10-14-7-4-8-20(14)16(21)15-9-13(11-18-15)19-12-5-2-1-3-6-12/h1-3,5-6,13-15,18-19H,4,7-9,11H2/t13-,14-,15-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV |
Bioorg Med Chem Lett 15: 2441-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM50391571
(CHEMBL2147713)Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1F |r| Show InChI InChI=1S/C22H29FN6OS/c1-16-12-21(29(25-16)20-5-3-2-4-18(20)23)27-8-6-26(7-9-27)17-13-19(24-14-17)22(30)28-10-11-31-15-28/h2-5,12,17,19,24H,6-11,13-15H2,1H3/t17-,19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 20: 5705-19 (2012)
Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391576
(CHEMBL2147773)Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1cccnc1 |r| Show InChI InChI=1S/C21H29N7OS/c1-16-11-20(28(24-16)17-3-2-4-22-13-17)26-7-5-25(6-8-26)18-12-19(23-14-18)21(29)27-9-10-30-15-27/h2-4,11,13,18-19,23H,5-10,12,14-15H2,1H3/t18-,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 | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 20: 5705-19 (2012)
Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391568
(CHEMBL2147771)Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccn1 |r| Show InChI InChI=1S/C21H29N7OS/c1-16-12-20(28(24-16)19-4-2-3-5-22-19)26-8-6-25(7-9-26)17-13-18(23-14-17)21(29)27-10-11-30-15-27/h2-5,12,17-18,23H,6-11,13-15H2,1H3/t17-,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 | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 20: 5705-19 (2012)
Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM50391564
(CHEMBL2147707)Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ccnn1-c1ccccc1)N1CCSC1 |r| Show InChI InChI=1S/C21H28N6OS/c28-21(26-12-13-29-16-26)19-14-18(15-22-19)24-8-10-25(11-9-24)20-6-7-23-27(20)17-4-2-1-3-5-17/h1-7,18-19,22H,8-16H2/t18-,19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 20: 5705-19 (2012)
Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM50391568
(CHEMBL2147771)Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccn1 |r| Show InChI InChI=1S/C21H29N7OS/c1-16-12-20(28(24-16)19-4-2-3-5-22-19)26-8-6-25(7-9-26)17-13-18(23-14-17)21(29)27-10-11-30-15-27/h2-5,12,17-18,23H,6-11,13-15H2,1H3/t17-,18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.720 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 20: 5705-19 (2012)
Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM50391576
(CHEMBL2147773)Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1cccnc1 |r| Show InChI InChI=1S/C21H29N7OS/c1-16-11-20(28(24-16)17-3-2-4-22-13-17)26-7-5-25(6-8-26)18-12-19(23-14-18)21(29)27-9-10-30-15-27/h2-4,11,13,18-19,23H,5-10,12,14-15H2,1H3/t18-,19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.770 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 20: 5705-19 (2012)
Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391571
(CHEMBL2147713)Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1F |r| Show InChI InChI=1S/C22H29FN6OS/c1-16-12-21(29(25-16)20-5-3-2-4-18(20)23)27-8-6-26(7-9-27)17-13-19(24-14-17)22(30)28-10-11-31-15-28/h2-5,12,17,19,24H,6-11,13-15H2,1H3/t17-,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 | 0.850 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 20: 5705-19 (2012)
Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391564
(CHEMBL2147707)Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ccnn1-c1ccccc1)N1CCSC1 |r| Show InChI InChI=1S/C21H28N6OS/c28-21(26-12-13-29-16-26)19-14-18(15-22-19)24-8-10-25(11-9-24)20-6-7-23-27(20)17-4-2-1-3-5-17/h1-7,18-19,22H,8-16H2/t18-,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 | 0.940 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 20: 5705-19 (2012)
Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50388117
(CHEMBL2058969)Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ccnc2ccccc12)N1CCSC1 |r| Show InChI InChI=1S/C21H27N5OS/c27-21(26-11-12-28-15-26)19-13-16(14-23-19)24-7-9-25(10-8-24)20-5-6-22-18-4-2-1-3-17(18)20/h1-6,16,19,23H,7-15H2/t16-,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 | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 20: 5705-19 (2012)
Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM50388117
(CHEMBL2058969)Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ccnc2ccccc12)N1CCSC1 |r| Show InChI InChI=1S/C21H27N5OS/c27-21(26-11-12-28-15-26)19-13-16(14-23-19)24-7-9-25(10-8-24)20-5-6-22-18-4-2-1-3-17(18)20/h1-6,16,19,23H,7-15H2/t16-,19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 20: 5705-19 (2012)
Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM50166312
(1-[(3S,5S)-5-((S)-2-Cyano-pyrrolidine-1-carbonyl)-...)Show SMILES O=C(N[C@@H]1CN[C@@H](C1)C(=O)N1CCC[C@H]1C#N)Nc1ccccc1 Show InChI InChI=1S/C17H21N5O2/c18-10-14-7-4-8-22(14)16(23)15-9-13(11-19-15)21-17(24)20-12-5-2-1-3-6-12/h1-3,5-6,13-15,19H,4,7-9,11H2,(H2,20,21,24)/t13-,14-,15-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV |
Bioorg Med Chem Lett 15: 2441-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11113
(6-{[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl...)Show InChI InChI=1S/C15H18N6O/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20)/t13-/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
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay |
Bioorg Med Chem 15: 641-55 (2006)
Article DOI: 10.1016/j.bmc.2006.10.059
BindingDB Entry DOI: 10.7270/Q21N81X1 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11113
(6-{[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl...)Show InChI InChI=1S/C15H18N6O/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20)/t13-/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
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human dipeptidyl-peptidase IV |
Bioorg Med Chem Lett 15: 2441-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50166312
(1-[(3S,5S)-5-((S)-2-Cyano-pyrrolidine-1-carbonyl)-...)Show SMILES O=C(N[C@@H]1CN[C@@H](C1)C(=O)N1CCC[C@H]1C#N)Nc1ccccc1 Show InChI InChI=1S/C17H21N5O2/c18-10-14-7-4-8-22(14)16(23)15-9-13(11-19-15)21-17(24)20-12-5-2-1-3-6-12/h1-3,5-6,13-15,19H,4,7-9,11H2,(H2,20,21,24)/t13-,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 | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human dipeptidyl-peptidase IV |
Bioorg Med Chem Lett 15: 2441-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM50166306
((S)-1-((2S,4S)-4-Phenethylamino-pyrrolidine-2-carb...)Show SMILES O=C([C@@H]1C[C@@H](CN1)NCCc1ccccc1)N1CCC[C@H]1C#N Show InChI InChI=1S/C18H24N4O/c19-12-16-7-4-10-22(16)18(23)17-11-15(13-21-17)20-9-8-14-5-2-1-3-6-14/h1-3,5-6,15-17,20-21H,4,7-11,13H2/t15-,16-,17-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV |
Bioorg Med Chem Lett 15: 2441-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50206038
(((2S,4S)-4-(4-(4-nitrophenyl)piperazin-1-yl)pyrrol...)Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1 Show InChI InChI=1S/C18H25N5O3S/c24-18(22-9-10-27-13-22)17-11-16(12-19-17)21-7-5-20(6-8-21)14-1-3-15(4-2-14)23(25)26/h1-4,16-17,19H,5-13H2/t16-,17-/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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 20: 5705-19 (2012)
Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50206058
(6-(4-((3S,5S)-5-(thiazolidine-3-carbonyl)pyrrolidi...)Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ccc(cn1)C#N)N1CCSC1 Show InChI InChI=1S/C18H24N6OS/c19-10-14-1-2-17(21-11-14)23-5-3-22(4-6-23)15-9-16(20-12-15)18(25)24-7-8-26-13-24/h1-2,11,15-16,20H,3-9,12-13H2/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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 20: 5705-19 (2012)
Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50166306
((S)-1-((2S,4S)-4-Phenethylamino-pyrrolidine-2-carb...)Show SMILES O=C([C@@H]1C[C@@H](CN1)NCCc1ccccc1)N1CCC[C@H]1C#N Show InChI InChI=1S/C18H24N4O/c19-12-16-7-4-10-22(16)18(23)17-11-15(13-21-17)20-9-8-14-5-2-1-3-6-14/h1-3,5-6,15-17,20-21H,4,7-11,13H2/t15-,16-,17-/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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human dipeptidyl-peptidase IV |
Bioorg Med Chem Lett 15: 2441-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50388116
(CHEMBL2058968)Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ccc2ccccc2n1)N1CCSC1 |r| Show InChI InChI=1S/C21H27N5OS/c27-21(26-11-12-28-15-26)19-13-17(14-22-19)24-7-9-25(10-8-24)20-6-5-16-3-1-2-4-18(16)23-20/h1-6,17,19,22H,7-15H2/t17-,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 | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 20: 5705-19 (2012)
Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM11113
(6-{[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl...)Show InChI InChI=1S/C15H18N6O/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20)/t13-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV |
Bioorg Med Chem Lett 15: 2441-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM50391573
(CHEMBL2147711)Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H29FN6OS/c1-16-12-21(29(25-16)18-4-2-17(23)3-5-18)27-8-6-26(7-9-27)19-13-20(24-14-19)22(30)28-10-11-31-15-28/h2-5,12,19-20,24H,6-11,13-15H2,1H3/t19-,20-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 20: 5705-19 (2012)
Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM50391574
(CHEMBL2147710)Show SMILES FC(F)(F)c1cc(C2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C23H28F3N5OS/c24-23(25,26)21-13-20(31(28-21)17-4-2-1-3-5-17)16-6-8-29(9-7-16)18-12-19(27-14-18)22(32)30-10-11-33-15-30/h1-5,13,16,18-19,27H,6-12,14-15H2/t18-,19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 20: 5705-19 (2012)
Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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