Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50047946 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)) | BDBM50198186
(CHEMBL3944427 | US10479798, Compound 19)Show SMILES COc1cc2c3C[C@H](N)[C@H](Oc3ccc2cc1S(C)(=O)=O)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H18F3NO4S/c1-28-19-8-11-10(5-20(19)30(2,26)27)3-4-18-12(11)7-17(25)21(29-18)13-6-15(23)16(24)9-14(13)22/h3-6,8-9,17,21H,7,25H2,1-2H3/t17-,21+/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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198181
(CHEMBL3941804)Show SMILES COc1cc2ccc3O[C@@H]([C@@H](N)Cc3c2cc1OC)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H18F3NO3/c1-26-19-5-10-3-4-18-12(11(10)8-20(19)27-2)7-17(25)21(28-18)13-6-15(23)16(24)9-14(13)22/h3-6,8-9,17,21H,7,25H2,1-2H3/t17-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50003020
(MK-3102 | OMARIGLIPTIN | US10155775, Omarigliptin ...)Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r| Show InChI InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
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 |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198185
(CHEMBL3979508 | US10479798, Compound 7)Show SMILES N[C@H]1Cc2c(O[C@@H]1c1cc(F)c(F)cc1F)ccc1cc(Br)ccc21 |r| Show InChI InChI=1S/C19H13BrF3NO/c20-10-2-3-11-9(5-10)1-4-18-12(11)7-17(24)19(25-18)13-6-15(22)16(23)8-14(13)21/h1-6,8,17,19H,7,24H2/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 | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198184
(CHEMBL3942843 | US10479798, Compound 20)Show SMILES COc1cc2c3C[C@H](N)[C@H](Oc3ccc2cc1NS(C)(=O)=O)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H19F3N2O4S/c1-29-20-8-11-10(5-18(20)26-31(2,27)28)3-4-19-12(11)7-17(25)21(30-19)13-6-15(23)16(24)9-14(13)22/h3-6,8-9,17,21,26H,7,25H2,1-2H3/t17-,21+/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 | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11162
((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...)Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198190
(CHEMBL3920234)Show SMILES N[C@@H]1Cc2c(O[C@H]1c1cc(F)c(F)cc1F)ccc1cc(ccc21)C#N |r| Show InChI InChI=1S/C20H13F3N2O/c21-15-8-17(23)16(22)6-14(15)20-18(25)7-13-12-3-1-10(9-24)5-11(12)2-4-19(13)26-20/h1-6,8,18,20H,7,25H2/t18-,20+/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 | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198175
(CHEMBL3932825 | US10479798, Compound 17)Show SMILES CS(=O)(=O)c1ccc2c3C[C@H](N)[C@H](Oc3ccc2c1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H16F3NO3S/c1-28(25,26)11-3-4-12-10(6-11)2-5-19-13(12)8-18(24)20(27-19)14-7-16(22)17(23)9-15(14)21/h2-7,9,18,20H,8,24H2,1H3/t18-,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 | 10.7 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198174
(CHEMBL3959221)Show SMILES CS(=O)(=O)Nc1ccc2c3C[C@H](N)[C@H](Oc3ccc2c1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H17F3N2O3S/c1-29(26,27)25-11-3-4-12-10(6-11)2-5-19-13(12)8-18(24)20(28-19)14-7-16(22)17(23)9-15(14)21/h2-7,9,18,20,25H,8,24H2,1H3/t18-,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 | 10.9 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198175
(CHEMBL3932825 | US10479798, Compound 17)Show SMILES CS(=O)(=O)c1ccc2c3C[C@H](N)[C@H](Oc3ccc2c1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H16F3NO3S/c1-28(25,26)11-3-4-12-10(6-11)2-5-19-13(12)8-18(24)20(27-19)14-7-16(22)17(23)9-15(14)21/h2-7,9,18,20H,8,24H2,1H3/t18-,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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198174
(CHEMBL3959221)Show SMILES CS(=O)(=O)Nc1ccc2c3C[C@H](N)[C@H](Oc3ccc2c1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H17F3N2O3S/c1-29(26,27)25-11-3-4-12-10(6-11)2-5-19-13(12)8-18(24)20(28-19)14-7-16(22)17(23)9-15(14)21/h2-7,9,18,20,25H,8,24H2,1H3/t18-,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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198171
(CHEMBL3910262)Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc2ccc3O[C@H]([C@H](N)Cc3c2c1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C26H20F3NO3S/c1-34(31,32)17-4-2-3-15(9-17)16-6-5-14-7-8-25-19(18(14)10-16)12-24(30)26(33-25)20-11-22(28)23(29)13-21(20)27/h2-11,13,24,26H,12,30H2,1H3/t24-,26+/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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198166
(CHEMBL3950517)Show SMILES N[C@H]1Cc2c(O[C@@H]1c1cc(F)c(F)cc1F)ccc1cc(ccc21)C(O)=O |r| Show InChI InChI=1S/C20H14F3NO3/c21-14-8-16(23)15(22)6-13(14)19-17(24)7-12-11-3-1-10(20(25)26)5-9(11)2-4-18(12)27-19/h1-6,8,17,19H,7,24H2,(H,25,26)/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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198178
(CHEMBL3901191 | US10479798, Compound 6)Show SMILES COc1ccc2c3C[C@H](N)[C@H](Oc3ccc2c1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H16F3NO2/c1-25-11-3-4-12-10(6-11)2-5-19-13(12)8-18(24)20(26-19)14-7-16(22)17(23)9-15(14)21/h2-7,9,18,20H,8,24H2,1H3/t18-,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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198167
(CHEMBL3934008)Show SMILES COc1ccc2ccc3O[C@@H]([C@@H](N)Cc3c2c1)c1cc(F)ccc1F |r| Show InChI InChI=1S/C20H17F2NO2/c1-24-13-5-2-11-3-7-19-15(14(11)9-13)10-18(23)20(25-19)16-8-12(21)4-6-17(16)22/h2-9,18,20H,10,23H2,1H3/t18-,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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198168
(CHEMBL3892233)Show SMILES N[C@@H]1Cc2c(O[C@H]1c1cc(F)c(F)cc1F)ccc1cc(Br)ccc21 |r| Show InChI InChI=1S/C19H13BrF3NO/c20-10-2-3-11-9(5-10)1-4-18-12(11)7-17(24)19(25-18)13-6-15(22)16(23)8-14(13)21/h1-6,8,17,19H,7,24H2/t17-,19+/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 | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198192
(CHEMBL3929146)Show SMILES COc1ccc2c3C[C@@H](N)[C@@H](Oc3ccc2c1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H16F3NO2/c1-25-11-3-4-12-10(6-11)2-5-19-13(12)8-18(24)20(26-19)14-7-16(22)17(23)9-15(14)21/h2-7,9,18,20H,8,24H2,1H3/t18-,20+/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 | 49.7 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198192
(CHEMBL3929146)Show SMILES COc1ccc2c3C[C@@H](N)[C@@H](Oc3ccc2c1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H16F3NO2/c1-25-11-3-4-12-10(6-11)2-5-19-13(12)8-18(24)20(26-19)14-7-16(22)17(23)9-15(14)21/h2-7,9,18,20H,8,24H2,1H3/t18-,20+/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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198180
(CHEMBL3928073 | US10479798, Compound 5)Show SMILES COc1ccc2ccc3O[C@@H]([C@@H](N)Cc3c2c1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H16F3NO2/c1-25-11-4-2-10-3-5-19-13(12(10)6-11)8-18(24)20(26-19)14-7-16(22)17(23)9-15(14)21/h2-7,9,18,20H,8,24H2,1H3/t18-,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 | 60.6 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198180
(CHEMBL3928073 | US10479798, Compound 5)Show SMILES COc1ccc2ccc3O[C@@H]([C@@H](N)Cc3c2c1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H16F3NO2/c1-25-11-4-2-10-3-5-19-13(12(10)6-11)8-18(24)20(26-19)14-7-16(22)17(23)9-15(14)21/h2-7,9,18,20H,8,24H2,1H3/t18-,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 | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198183
(CHEMBL3890161)Show SMILES N[C@H]1Cc2c(O[C@@H]1c1cc(F)c(F)cc1F)ccc1cc(ccc21)N1CCOCC1 |r| Show InChI InChI=1S/C23H21F3N2O2/c24-18-12-20(26)19(25)10-17(18)23-21(27)11-16-15-3-2-14(28-5-7-29-8-6-28)9-13(15)1-4-22(16)30-23/h1-4,9-10,12,21,23H,5-8,11,27H2/t21-,23+/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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198169
(CHEMBL3952691)Show SMILES COc1ccc2ccc3O[C@@H]([C@@H](N)Cc3c2c1)c1ccc(F)cc1F |r| Show InChI InChI=1S/C20H17F2NO2/c1-24-13-5-2-11-3-7-19-16(15(11)9-13)10-18(23)20(25-19)14-6-4-12(21)8-17(14)22/h2-9,18,20H,10,23H2,1H3/t18-,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 | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198170
(CHEMBL3926320)Show SMILES N[C@@H]1Cc2c(O[C@H]1c1cc(F)c(F)cc1F)ccc1ccccc21 |r| Show InChI InChI=1S/C19H14F3NO/c20-14-9-16(22)15(21)7-13(14)19-17(23)8-12-11-4-2-1-3-10(11)5-6-18(12)24-19/h1-7,9,17,19H,8,23H2/t17-,19+/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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as increase in fluorescence for 20 mins by fluorimetric assay |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198170
(CHEMBL3926320)Show SMILES N[C@@H]1Cc2c(O[C@H]1c1cc(F)c(F)cc1F)ccc1ccccc21 |r| Show InChI InChI=1S/C19H14F3NO/c20-14-9-16(22)15(21)7-13(14)19-17(23)8-12-11-4-2-1-3-10(11)5-6-18(12)24-19/h1-7,9,17,19H,8,23H2/t17-,19+/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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198191
(CHEMBL3892398)Show SMILES COc1ccc2ccc3O[C@@H]([C@@H](N)Cc3c2c1)c1cccc(F)c1 |r| Show InChI InChI=1S/C20H18FNO2/c1-23-15-7-5-12-6-8-19-17(16(12)10-15)11-18(22)20(24-19)13-3-2-4-14(21)9-13/h2-10,18,20H,11,22H2,1H3/t18-,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 | 122 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198164
(CHEMBL3959577 | US10479798, Compound 3)Show SMILES Cc1cc(=O)oc2c3C[C@H](N)[C@H](Oc3ccc12)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C19H14F3NO3/c1-8-4-17(24)26-18-9(8)2-3-16-11(18)6-15(23)19(25-16)10-5-13(21)14(22)7-12(10)20/h2-5,7,15,19H,6,23H2,1H3/t15-,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 | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as increase in fluorescence for 20 mins by fluorimetric assay |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198164
(CHEMBL3959577 | US10479798, Compound 3)Show SMILES Cc1cc(=O)oc2c3C[C@H](N)[C@H](Oc3ccc12)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C19H14F3NO3/c1-8-4-17(24)26-18-9(8)2-3-16-11(18)6-15(23)19(25-16)10-5-13(21)14(22)7-12(10)20/h2-5,7,15,19H,6,23H2,1H3/t15-,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 | 165 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198173
(CHEMBL3942715)Show SMILES N[C@@H]1Cc2c(O[C@H]1c1cc(F)c(F)cc1F)ccc1ccc(cc21)C#N |r| Show InChI InChI=1S/C20H13F3N2O/c21-15-8-17(23)16(22)6-14(15)20-18(25)7-13-12-5-10(9-24)1-2-11(12)3-4-19(13)26-20/h1-6,8,18,20H,7,25H2/t18-,20+/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 | 205 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198165
(CHEMBL3952716)Show SMILES N[C@@H]1Cc2c(O[C@H]1c1cc(F)c(F)cc1F)ccc1ccc(=O)oc21 |r| Show InChI InChI=1S/C18H12F3NO3/c19-11-7-13(21)12(20)5-9(11)18-14(22)6-10-15(24-18)3-1-8-2-4-16(23)25-17(8)10/h1-5,7,14,18H,6,22H2/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 | 207 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as increase in fluorescence for 20 mins by fluorimetric assay |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198179
(CHEMBL3919178)Show SMILES N[C@@H]1Cc2c(O[C@H]1c1cc(F)c(F)cc1F)ccc1ccc(Br)cc21 |r| Show InChI InChI=1S/C19H13BrF3NO/c20-10-3-1-9-2-4-18-12(11(9)5-10)7-17(24)19(25-18)13-6-15(22)16(23)8-14(13)21/h1-6,8,17,19H,7,24H2/t17-,19+/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 | 216 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198177
(CHEMBL3972474)Show SMILES COc1ccc2ccc3O[C@@H]([C@@H](N)Cc3c2c1)c1ccccc1Cl |r| Show InChI InChI=1S/C20H18ClNO2/c1-23-13-8-6-12-7-9-19-16(15(12)10-13)11-18(22)20(24-19)14-4-2-3-5-17(14)21/h2-10,18,20H,11,22H2,1H3/t18-,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 | 338 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198176
(CHEMBL3981442)Show SMILES COc1ccc2ccc3O[C@@H]([C@@H](N)Cc3c2c1)c1ccccc1F |r| Show InChI InChI=1S/C20H18FNO2/c1-23-13-8-6-12-7-9-19-16(15(12)10-13)11-18(22)20(24-19)14-4-2-3-5-17(14)21/h2-10,18,20H,11,22H2,1H3/t18-,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 | 564 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198172
(CHEMBL3955701)Show SMILES COc1ccc2ccc3O[C@H]([C@H](N)Cc3c2c1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H16F3NO2/c1-25-11-4-2-10-3-5-19-13(12(10)6-11)8-18(24)20(26-19)14-7-16(22)17(23)9-15(14)21/h2-7,9,18,20H,8,24H2,1H3/t18-,20+/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 | 2.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198188
(CHEMBL3971196)Show SMILES Cc1cc(=O)oc2c3C[C@@H](N)[C@@H](Oc3ccc12)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C19H14F3NO3/c1-8-4-17(24)26-18-9(8)2-3-16-11(18)6-15(23)19(25-16)10-5-13(21)14(22)7-12(10)20/h2-5,7,15,19H,6,23H2,1H3/t15-,19+/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 | 1.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as increase in fluorescence for 20 mins by fluorimetric assay |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198189
(CHEBI:4320 | Daphneticin)Show SMILES COc1cc(cc(OC)c1O)[C@H]1Oc2ccc3ccc(=O)oc3c2O[C@@H]1CO |r| Show InChI InChI=1S/C20H18O8/c1-24-13-7-11(8-14(25-2)17(13)23)18-15(9-21)27-20-12(26-18)5-3-10-4-6-16(22)28-19(10)20/h3-8,15,18,21,23H,9H2,1-2H3/t15-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as increase in fluorescence for 20 mins by fluorimetric assay |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198187
(CHEMBL3929764)Show SMILES Cc1cc(=O)oc2c3C[C@@H](N)[C@H](Oc3ccc12)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C19H14F3NO3/c1-8-4-17(24)26-18-9(8)2-3-16-11(18)6-15(23)19(25-16)10-5-13(21)14(22)7-12(10)20/h2-5,7,15,19H,6,23H2,1H3/t15-,19-/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 | 2.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as increase in fluorescence for 20 mins by fluorimetric assay |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198182
(CHEMBL3968332)Show SMILES Cc1cc(=O)oc2c3C[C@H](N)[C@@H](Oc3ccc12)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C19H14F3NO3/c1-8-4-17(24)26-18-9(8)2-3-16-11(18)6-15(23)19(25-16)10-5-13(21)14(22)7-12(10)20/h2-5,7,15,19H,6,23H2,1H3/t15-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as increase in fluorescence for 20 mins by fluorimetric assay |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198181
(CHEMBL3941804)Show SMILES COc1cc2ccc3O[C@@H]([C@@H](N)Cc3c2cc1OC)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H18F3NO3/c1-26-19-5-10-3-4-18-12(11(10)8-20(19)27-2)7-17(25)21(28-18)13-6-15(23)16(24)9-14(13)22/h3-6,8-9,17,21H,7,25H2,1-2H3/t17-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Binding affinity to DPP4 (unknown origin) assessed as dissociation constant by SPR assay |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11162
((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...)Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | n/a | 12.7 | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Binding affinity to DPP4 (unknown origin) assessed as dissociation constant by SPR assay |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50003020
(MK-3102 | OMARIGLIPTIN | US10155775, Omarigliptin ...)Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r| Show InChI InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Binding affinity to DPP4 (unknown origin) assessed as dissociation constant by SPR assay |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50198186
(CHEMBL3944427 | US10479798, Compound 19)Show SMILES COc1cc2c3C[C@H](N)[C@H](Oc3ccc2cc1S(C)(=O)=O)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H18F3NO4S/c1-28-19-8-11-10(5-20(19)30(2,26)27)3-4-18-12(11)7-17(25)21(29-18)13-6-15(23)16(24)9-14(13)22/h3-6,8-9,17,21H,7,25H2,1-2H3/t17-,21+/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 | n/a | 11 | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Binding affinity to DPP4 (unknown origin) assessed as dissociation constant by SPR assay |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this
Ligand-Target Pair | |
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