Found 24 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50276045
((R)-3-Amino-4-(5-chloro-2-fluoro-phenyl)-N-{4-[6-(...)Show SMILES COCCOc1ccc2nc(sc2c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1cc(Cl)ccc1F |r| Show InChI InChI=1S/C25H29ClFN3O5S2/c1-34-8-9-35-19-3-5-21-22(15-19)36-24(29-21)25(6-10-37(32,33)11-7-25)30-23(31)14-18(28)13-16-12-17(26)2-4-20(16)27/h2-5,12,15,18H,6-11,13-14,28H2,1H3,(H,30,31)/t18-/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 | 0.640 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Caco2 cells-derived DPP4 |
Bioorg Med Chem Lett 18: 5435-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50276047
((R)-3-Amino-N-{4-[6-(2-morpholin-4-yl-ethoxy)-benz...)Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc2ccc(OCCN3CCOCC3)cc2s1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C28H33F3N4O5S2/c29-21-17-23(31)22(30)14-18(21)13-19(32)15-26(36)34-28(3-11-42(37,38)12-4-28)27-33-24-2-1-20(16-25(24)41-27)40-10-7-35-5-8-39-9-6-35/h1-2,14,16-17,19H,3-13,15,32H2,(H,34,36)/t19-/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 | 0.790 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Caco2 cells-derived DPP4 |
Bioorg Med Chem Lett 18: 5435-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50276001
((R)-3-Amino-N-{4-[6-(2-methoxy-ethoxy)-benzothiazo...)Show SMILES COCCOc1ccc2nc(sc2c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C25H28F3N3O5S2/c1-35-6-7-36-17-2-3-21-22(13-17)37-24(30-21)25(4-8-38(33,34)9-5-25)31-23(32)12-16(29)10-15-11-19(27)20(28)14-18(15)26/h2-3,11,13-14,16H,4-10,12,29H2,1H3,(H,31,32)/t16-/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Caco2 cells-derived DPP4 |
Bioorg Med Chem Lett 18: 5435-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50276046
((R)-3-amino-4-(5-chloro-2-fluorophenyl)-N-(4-(6-(2...)Show SMILES COCCOc1ccc2nc(sc2c1)C1(CCOCC1)NC(=O)C[C@H](N)Cc1cc(Cl)ccc1F |r| Show InChI InChI=1S/C25H29ClFN3O4S/c1-32-10-11-34-19-3-5-21-22(15-19)35-24(29-21)25(6-8-33-9-7-25)30-23(31)14-18(28)13-16-12-17(26)2-4-20(16)27/h2-5,12,15,18H,6-11,13-14,28H2,1H3,(H,30,31)/t18-/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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Caco2 cells-derived DPP4 |
Bioorg Med Chem Lett 18: 5435-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50275954
((R)-3-Amino-N-[4-(6-methoxy-benzothiazol-2-yl)-1,1...)Show SMILES COc1ccc2nc(sc2c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C23H24F3N3O4S2/c1-33-15-2-3-19-20(11-15)34-22(28-19)23(4-6-35(31,32)7-5-23)29-21(30)10-14(27)8-13-9-17(25)18(26)12-16(13)24/h2-3,9,11-12,14H,4-8,10,27H2,1H3,(H,29,30)/t14-/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 | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Caco2 cells-derived DPP4 |
Bioorg Med Chem Lett 18: 5435-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50275955
((R)-3-Amino-N-[4-(5-methoxy-benzothiazol-2-yl)-1,1...)Show SMILES COc1ccc2sc(nc2c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C23H24F3N3O4S2/c1-33-15-2-3-20-19(11-15)28-22(34-20)23(4-6-35(31,32)7-5-23)29-21(30)10-14(27)8-13-9-17(25)18(26)12-16(13)24/h2-3,9,11-12,14H,4-8,10,27H2,1H3,(H,29,30)/t14-/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 | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Caco2 cells-derived DPP4 |
Bioorg Med Chem Lett 18: 5435-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50276044
((3R)-3-amino-4-(2,4,5-trifluorophenyl)-N-{4-[6-(2-...)Show SMILES COCCOc1ccc2nc(sc2c1)C1(CCOCC1)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C25H28F3N3O4S/c1-33-8-9-35-17-2-3-21-22(13-17)36-24(30-21)25(4-6-34-7-5-25)31-23(32)12-16(29)10-15-11-19(27)20(28)14-18(15)26/h2-3,11,13-14,16H,4-10,12,29H2,1H3,(H,31,32)/t16-/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 | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Caco2 cells-derived DPP4 |
Bioorg Med Chem Lett 18: 5435-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50275905
((R)-3-Amino-4-(2-fluoro-phenyl)-N-[4-(6-methoxy-be...)Show SMILES COc1ccc2nc(sc2c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r| Show InChI InChI=1S/C23H26FN3O4S2/c1-31-17-6-7-19-20(14-17)32-22(26-19)23(8-10-33(29,30)11-9-23)27-21(28)13-16(25)12-15-4-2-3-5-18(15)24/h2-7,14,16H,8-13,25H2,1H3,(H,27,28)/t16-/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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Caco2 cells-derived DPP4 |
Bioorg Med Chem Lett 18: 5435-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50275904
((R)-3-Amino-N-(4-benzothiazol-2-yl-1,1-dioxo-hexah...)Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc2ccccc2s1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C22H22F3N3O3S2/c23-15-12-17(25)16(24)10-13(15)9-14(26)11-20(29)28-22(5-7-33(30,31)8-6-22)21-27-18-3-1-2-4-19(18)32-21/h1-4,10,12,14H,5-9,11,26H2,(H,28,29)/t14-/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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Caco2 cells-derived DPP4 |
Bioorg Med Chem Lett 18: 5435-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50275957
((R)-3-Amino-N-[4-(6-chloro-benzothiazol-2-yl)-1,1-...)Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc2ccc(Cl)cc2s1)Cc1ccccc1F |r| Show InChI InChI=1S/C22H23ClFN3O3S2/c23-15-5-6-18-19(12-15)31-21(26-18)22(7-9-32(29,30)10-8-22)27-20(28)13-16(25)11-14-3-1-2-4-17(14)24/h1-6,12,16H,7-11,13,25H2,(H,27,28)/t16-/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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Caco2 cells-derived DPP4 |
Bioorg Med Chem Lett 18: 5435-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50275903
((R)-3-Amino-N-(4-benzothiazol-2-yl-1,1-dioxo-hexah...)Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc2ccccc2s1)Cc1ccccc1F |r| Show InChI InChI=1S/C22H24FN3O3S2/c23-17-6-2-1-5-15(17)13-16(24)14-20(27)26-22(9-11-31(28,29)12-10-22)21-25-18-7-3-4-8-19(18)30-21/h1-8,16H,9-14,24H2,(H,26,27)/t16-/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 | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Caco2 cells-derived DPP4 |
Bioorg Med Chem Lett 18: 5435-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50275999
((R)-3-Amino-4-(2-fluoro-phenyl)-N-[4-(6-methyl-ben...)Show SMILES Cc1ccc2nc(sc2c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r| Show InChI InChI=1S/C23H26FN3O3S2/c1-15-6-7-19-20(12-15)31-22(26-19)23(8-10-32(29,30)11-9-23)27-21(28)14-17(25)13-16-4-2-3-5-18(16)24/h2-7,12,17H,8-11,13-14,25H2,1H3,(H,27,28)/t17-/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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Caco2 cells-derived DPP4 |
Bioorg Med Chem Lett 18: 5435-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50275998
((R)-3-Amino-N-[4-(4-chloro-benzothiazol-2-yl)-1,1-...)Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc2c(Cl)cccc2s1)Cc1ccccc1F |r| Show InChI InChI=1S/C22H23ClFN3O3S2/c23-16-5-3-7-18-20(16)26-21(31-18)22(8-10-32(29,30)11-9-22)27-19(28)13-15(25)12-14-4-1-2-6-17(14)24/h1-7,15H,8-13,25H2,(H,27,28)/t15-/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 | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Caco2 cells-derived DPP4 |
Bioorg Med Chem Lett 18: 5435-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50275849
((R)-3-Amino-N-(1,1-dioxo-4-thiazol-2-yl-hexahydro-...)Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nccs1)Cc1ccccc1F |r| Show InChI InChI=1S/C18H22FN3O3S2/c19-15-4-2-1-3-13(15)11-14(20)12-16(23)22-18(17-21-7-8-26-17)5-9-27(24,25)10-6-18/h1-4,7-8,14H,5-6,9-12,20H2,(H,22,23)/t14-/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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Caco2 cells-derived DPP4 |
Bioorg Med Chem Lett 18: 5435-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50275956
((R)-3-Amino-4-(2-fluoro-phenyl)-N-[4-(4-methoxy-be...)Show SMILES COc1cccc2sc(nc12)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r| Show InChI InChI=1S/C23H26FN3O4S2/c1-31-18-7-4-8-19-21(18)26-22(32-19)23(9-11-33(29,30)12-10-23)27-20(28)14-16(25)13-15-5-2-3-6-17(15)24/h2-8,16H,9-14,25H2,1H3,(H,27,28)/t16-/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 | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Caco2 cells-derived DPP4 |
Bioorg Med Chem Lett 18: 5435-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50276000
((R)-3-Amino-4-(2-fluoro-phenyl)-N-[4-(4-methyl-ben...)Show SMILES Cc1cccc2sc(nc12)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r| Show InChI InChI=1S/C23H26FN3O3S2/c1-15-5-4-8-19-21(15)26-22(31-19)23(9-11-32(29,30)12-10-23)27-20(28)14-17(25)13-16-6-2-3-7-18(16)24/h2-8,17H,9-14,25H2,1H3,(H,27,28)/t17-/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 | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Caco2 cells-derived DPP4 |
Bioorg Med Chem Lett 18: 5435-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50275848
((R)-3-Amino-N-(1,1-dioxo-4-pyridin-2-yl-hexahydro-...)Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1ccccn1)Cc1ccccc1F |r| Show InChI InChI=1S/C20H24FN3O3S/c21-17-6-2-1-5-15(17)13-16(22)14-19(25)24-20(18-7-3-4-10-23-18)8-11-28(26,27)12-9-20/h1-7,10,16H,8-9,11-14,22H2,(H,24,25)/t16-/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 | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Caco2 cells-derived DPP4 |
Bioorg Med Chem Lett 18: 5435-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50275847
((R)-3-Amino-N-(1,1-dioxo-4-phenyl-hexahydro-1lambd...)Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1ccccc1)Cc1ccccc1F |r| Show InChI InChI=1S/C21H25FN2O3S/c22-19-9-5-4-6-16(19)14-18(23)15-20(25)24-21(17-7-2-1-3-8-17)10-12-28(26,27)13-11-21/h1-9,18H,10-15,23H2,(H,24,25)/t18-/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 | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Caco2 cells-derived DPP4 |
Bioorg Med Chem Lett 18: 5435-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50275791
((R)-3-amino-4-(2-fluorophenyl)-N-(1-methyl-4-pheny...)Show SMILES CN1CCC(CC1)(NC(=O)C[C@H](N)Cc1ccccc1F)c1ccccc1 |r| Show InChI InChI=1S/C22H28FN3O/c1-26-13-11-22(12-14-26,18-8-3-2-4-9-18)25-21(27)16-19(24)15-17-7-5-6-10-20(17)23/h2-10,19H,11-16,24H2,1H3,(H,25,27)/t19-/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 | 870 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Caco2 cells-derived DPP4 |
Bioorg Med Chem Lett 18: 5435-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50275789
((R)-3-amino-N-(1-benzyl-4-phenylpiperidin-4-yl)-4-...)Show SMILES N[C@@H](CC(=O)NC1(CCN(Cc2ccccc2)CC1)c1ccccc1)Cc1ccccc1F |r| Show InChI InChI=1S/C28H32FN3O/c29-26-14-8-7-11-23(26)19-25(30)20-27(33)31-28(24-12-5-2-6-13-24)15-17-32(18-16-28)21-22-9-3-1-4-10-22/h1-14,25H,15-21,30H2,(H,31,33)/t25-/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 | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Caco2 cells-derived DPP4 |
Bioorg Med Chem Lett 18: 5435-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50275790
((R)-3-amino-N-(1,4-dibenzylpiperidin-4-yl)-4-(2-fl...)Show SMILES N[C@@H](CC(=O)NC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1)Cc1ccccc1F |r| Show InChI InChI=1S/C29H34FN3O/c30-27-14-8-7-13-25(27)19-26(31)20-28(34)32-29(21-23-9-3-1-4-10-23)15-17-33(18-16-29)22-24-11-5-2-6-12-24/h1-14,26H,15-22,31H2,(H,32,34)/t26-/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 | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Caco2 cells-derived DPP4 |
Bioorg Med Chem Lett 18: 5435-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50275845
((R)-3-amino-4-(2-fluorophenyl)-N-(4-phenyltetrahyd...)Show SMILES N[C@@H](CC(=O)NC1(CCOCC1)c1ccccc1)Cc1ccccc1F |r| Show InChI InChI=1S/C21H25FN2O2/c22-19-9-5-4-6-16(19)14-18(23)15-20(25)24-21(10-12-26-13-11-21)17-7-2-1-3-8-17/h1-9,18H,10-15,23H2,(H,24,25)/t18-/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 | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Caco2 cells-derived DPP4 |
Bioorg Med Chem Lett 18: 5435-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50275846
((R)-3-amino-4-(2-fluorophenyl)-N-(4-phenyltetrahyd...)Show SMILES N[C@@H](CC(=O)NC1(CCSCC1)c1ccccc1)Cc1ccccc1F |r| Show InChI InChI=1S/C21H25FN2OS/c22-19-9-5-4-6-16(19)14-18(23)15-20(25)24-21(10-12-26-13-11-21)17-7-2-1-3-8-17/h1-9,18H,10-15,23H2,(H,24,25)/t18-/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 | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Caco2 cells-derived DPP4 |
Bioorg Med Chem Lett 18: 5435-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50275788
((R)-3-amino-N-(1-benzyl-4-methylpiperidin-4-yl)-4-...)Show SMILES CC1(CCN(Cc2ccccc2)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r| Show InChI InChI=1S/C23H30FN3O/c1-23(11-13-27(14-12-23)17-18-7-3-2-4-8-18)26-22(28)16-20(25)15-19-9-5-6-10-21(19)24/h2-10,20H,11-17,25H2,1H3,(H,26,28)/t20-/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 | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Caco2 cells-derived DPP4 |
Bioorg Med Chem Lett 18: 5435-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8 |
More data for this
Ligand-Target Pair | |
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