Found 19 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)) | BDBM50309469
((R)-1-((2S,3S,11bS)-2-amino-9,10-dimethoxy-2,3,4,6...)Show SMILES COc1cc2CCN3C[C@@H]([C@@H](N)C[C@H]3c2cc1OC)N1C[C@H](C)CC1=O |r| Show InChI InChI=1S/C20H29N3O3/c1-12-6-20(24)23(10-12)17-11-22-5-4-13-7-18(25-2)19(26-3)8-14(13)16(22)9-15(17)21/h7-8,12,15-17H,4-6,9-11,21H2,1-3H3/t12-,15+,16+,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 1109-13 (2010)
Checked by Author
Article DOI: 10.1016/j.bmcl.2009.12.024
BindingDB Entry DOI: 10.7270/Q2222TW8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50309471
((R)-1-((2S,3S,11bS)-2-amino-9,10-dimethoxy-2,3,4,6...)Show SMILES COc1cc2CCN3C[C@@H]([C@@H](N)C[C@H]3c2cc1OC)N1C[C@H](CF)CC1=O |r| Show InChI InChI=1S/C20H28FN3O3/c1-26-18-6-13-3-4-23-11-17(24-10-12(9-21)5-20(24)25)15(22)8-16(23)14(13)7-19(18)27-2/h6-7,12,15-17H,3-5,8-11,22H2,1-2H3/t12-,15-,16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 1109-13 (2010)
Checked by Author
Article DOI: 10.1016/j.bmcl.2009.12.024
BindingDB Entry DOI: 10.7270/Q2222TW8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50309463
((SR, SR, SR)-1-(2-amino-9,10-dimethoxy-2,3,4,6,7,1...)Show InChI InChI=1S/C21H31N3O3/c1-13-4-5-21(25)24(11-13)18-12-23-7-6-14-8-19(26-2)20(27-3)9-15(14)17(23)10-16(18)22/h8-9,13,16-18H,4-7,10-12,22H2,1-3H3 | 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 | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 1109-13 (2010)
Checked by Author
Article DOI: 10.1016/j.bmcl.2009.12.024
BindingDB Entry DOI: 10.7270/Q2222TW8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50309470
((4S)-1-[(2S,3S,11bS)-2-amino-9,10-dimethoxy-1,3,4,...)Show SMILES COc1cc2CCN3C[C@@H]([C@@H](N)C[C@H]3c2cc1OC)N1C[C@@H](CF)CC1=O |r| Show InChI InChI=1S/C20H28FN3O3/c1-26-18-6-13-3-4-23-11-17(24-10-12(9-21)5-20(24)25)15(22)8-16(23)14(13)7-19(18)27-2/h6-7,12,15-17H,3-5,8-11,22H2,1-2H3/t12-,15+,16+,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 1109-13 (2010)
Checked by Author
Article DOI: 10.1016/j.bmcl.2009.12.024
BindingDB Entry DOI: 10.7270/Q2222TW8 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50309464
((SR, SR, SR)-1-(2-amino-9,10-dimethoxy-2,3,4,6,7,1...)Show InChI InChI=1S/C20H29N3O3/c1-12-6-20(24)23(10-12)17-11-22-5-4-13-7-18(25-2)19(26-3)8-14(13)16(22)9-15(17)21/h7-8,12,15-17H,4-6,9-11,21H2,1-3H3 | 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 | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 1109-13 (2010)
Checked by Author
Article DOI: 10.1016/j.bmcl.2009.12.024
BindingDB Entry DOI: 10.7270/Q2222TW8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50309465
((SR, SR, SR)-1-(2-amino-9,10-dimethoxy-2,3,4,6,7,1...)Show SMILES CCC1CN(C2CN3CCc4cc(OC)c(OC)cc4C3CC2N)C(=O)C1 Show InChI InChI=1S/C21H31N3O3/c1-4-13-7-21(25)24(11-13)18-12-23-6-5-14-8-19(26-2)20(27-3)9-15(14)17(23)10-16(18)22/h8-9,13,16-18H,4-7,10-12,22H2,1-3H3 | 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 |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 1109-13 (2010)
Checked by Author
Article DOI: 10.1016/j.bmcl.2009.12.024
BindingDB Entry DOI: 10.7270/Q2222TW8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50309468
((S)-1-((2S,3S,11bS)-2-amino-9,10-dimethoxy-2,3,4,6...)Show SMILES COc1cc2CCN3C[C@@H]([C@@H](N)C[C@H]3c2cc1OC)N1C[C@@H](C)CC1=O |r| Show InChI InChI=1S/C20H29N3O3/c1-12-6-20(24)23(10-12)17-11-22-5-4-13-7-18(25-2)19(26-3)8-14(13)16(22)9-15(17)21/h7-8,12,15-17H,4-6,9-11,21H2,1-3H3/t12-,15-,16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 1109-13 (2010)
Checked by Author
Article DOI: 10.1016/j.bmcl.2009.12.024
BindingDB Entry DOI: 10.7270/Q2222TW8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50309462
((SR, SR, SR)-1-(2-amino-9,10-dimethoxy-2,3,4,6,7,1...)Show InChI InChI=1S/C21H31N3O3/c1-13-4-7-24(21(25)8-13)18-12-23-6-5-14-9-19(26-2)20(27-3)10-15(14)17(23)11-16(18)22/h9-10,13,16-18H,4-8,11-12,22H2,1-3H3 | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 1109-13 (2010)
Checked by Author
Article DOI: 10.1016/j.bmcl.2009.12.024
BindingDB Entry DOI: 10.7270/Q2222TW8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50309455
(1-((2S,3S,11bS)-2-amino-9,10-dimethoxy-2,3,4,6,7,1...)Show SMILES COc1cc2CCN3C[C@@H]([C@@H](N)C[C@H]3c2cc1OC)N1CCCCC1=O |r| Show InChI InChI=1S/C20H29N3O3/c1-25-18-9-13-6-8-22-12-17(23-7-4-3-5-20(23)24)15(21)11-16(22)14(13)10-19(18)26-2/h9-10,15-17H,3-8,11-12,21H2,1-2H3/t15-,16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 1109-13 (2010)
Checked by Author
Article DOI: 10.1016/j.bmcl.2009.12.024
BindingDB Entry DOI: 10.7270/Q2222TW8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50309454
((SR, SR, SR)-1-(2-amino-9,10-dimethoxy-2,3,4,6,7,1...)Show InChI InChI=1S/C20H29N3O3/c1-25-18-9-13-6-8-22-12-17(23-7-4-3-5-20(23)24)15(21)11-16(22)14(13)10-19(18)26-2/h9-10,15-17H,3-8,11-12,21H2,1-2H3 | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 1109-13 (2010)
Checked by Author
Article DOI: 10.1016/j.bmcl.2009.12.024
BindingDB Entry DOI: 10.7270/Q2222TW8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50309461
((SR, SR, SR)-3-(2-amino-9,10-dimethoxy-2,3,4,6,7,1...)Show InChI InChI=1S/C19H27N3O4/c1-24-17-8-12-4-6-21-11-16(22-5-3-7-26-19(22)23)14(20)10-15(21)13(12)9-18(17)25-2/h8-9,14-16H,3-7,10-11,20H2,1-2H3 | 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 | 142 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 1109-13 (2010)
Checked by Author
Article DOI: 10.1016/j.bmcl.2009.12.024
BindingDB Entry DOI: 10.7270/Q2222TW8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50309459
((SR, SR, SR)-9,10-Dimethoxy-3-(1-oxo-1lambda*4*-[1...)Show SMILES COc1cc2CCN3CC(C(N)CC3c2cc1OC)N1CCCCS1(=O)=O Show InChI InChI=1S/C19H29N3O4S/c1-25-18-9-13-5-7-21-12-17(22-6-3-4-8-27(22,23)24)15(20)11-16(21)14(13)10-19(18)26-2/h9-10,15-17H,3-8,11-12,20H2,1-2H3 | 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 | 142 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 1109-13 (2010)
Checked by Author
Article DOI: 10.1016/j.bmcl.2009.12.024
BindingDB Entry DOI: 10.7270/Q2222TW8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50309457
((SR, SR, SR)-1-(2-amino-9,10-dimethoxy-2,3,4,6,7,1...)Show InChI InChI=1S/C21H31N3O3/c1-26-19-10-14-7-9-23-13-18(24-8-5-3-4-6-21(24)25)16(22)12-17(23)15(14)11-20(19)27-2/h10-11,16-18H,3-9,12-13,22H2,1-2H3 | 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 | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 1109-13 (2010)
Checked by Author
Article DOI: 10.1016/j.bmcl.2009.12.024
BindingDB Entry DOI: 10.7270/Q2222TW8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50309453
((SR, SR, SR)1-(2-amino-9,10-dimethoxy-2,3,4,6,7,11...)Show InChI InChI=1S/C19H27N3O3/c1-24-17-8-12-5-7-21-11-16(22-6-3-4-19(22)23)14(20)10-15(21)13(12)9-18(17)25-2/h8-9,14-16H,3-7,10-11,20H2,1-2H3 | 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 | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 1109-13 (2010)
Checked by Author
Article DOI: 10.1016/j.bmcl.2009.12.024
BindingDB Entry DOI: 10.7270/Q2222TW8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50309460
((SR, SR, SR)-3-(2-amino-9,10-dimethoxy-2,3,4,6,7,1...)Show InChI InChI=1S/C18H25N3O4/c1-23-16-7-11-3-4-20-10-15(21-5-6-25-18(21)22)13(19)9-14(20)12(11)8-17(16)24-2/h7-8,13-15H,3-6,9-10,19H2,1-2H3 | 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 | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 1109-13 (2010)
Checked by Author
Article DOI: 10.1016/j.bmcl.2009.12.024
BindingDB Entry DOI: 10.7270/Q2222TW8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50309458
((SR, SR, SR)-9,10-Dimethoxy-3-(1-oxo-1lambda*4*-is...)Show InChI InChI=1S/C18H27N3O4S/c1-24-17-8-12-4-6-20-11-16(21-5-3-7-26(21,22)23)14(19)10-15(20)13(12)9-18(17)25-2/h8-9,14-16H,3-7,10-11,19H2,1-2H3 | 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 | 1.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 1109-13 (2010)
Checked by Author
Article DOI: 10.1016/j.bmcl.2009.12.024
BindingDB Entry DOI: 10.7270/Q2222TW8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50309467
((SR, SR, SR)-1-(2-amino-9,10-dimethoxy-2,3,4,6,7,1...)Show InChI InChI=1S/C20H29N3O3/c1-12-4-5-20(24)23(12)17-11-22-7-6-13-8-18(25-2)19(26-3)9-14(13)16(22)10-15(17)21/h8-9,12,15-17H,4-7,10-11,21H2,1-3H3 | 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 |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 1109-13 (2010)
Checked by Author
Article DOI: 10.1016/j.bmcl.2009.12.024
BindingDB Entry DOI: 10.7270/Q2222TW8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50309456
(1-((2R,3R,11bR)-2-amino-9,10-dimethoxy-2,3,4,6,7,1...)Show SMILES COc1cc2CCN3C[C@H]([C@H](N)C[C@@H]3c2cc1OC)N1CCCCC1=O |r| Show InChI InChI=1S/C20H29N3O3/c1-25-18-9-13-6-8-22-12-17(23-7-4-3-5-20(23)24)15(21)11-16(22)14(13)10-19(18)26-2/h9-10,15-17H,3-8,11-12,21H2,1-2H3/t15-,16-,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 1109-13 (2010)
Checked by Author
Article DOI: 10.1016/j.bmcl.2009.12.024
BindingDB Entry DOI: 10.7270/Q2222TW8 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50309466
((SR, SR, SR)-1-(2-amino-9,10-dimethoxy-2,3,4,6,7,1...)Show InChI InChI=1S/C20H29N3O3/c1-12-4-7-23(20(12)24)17-11-22-6-5-13-8-18(25-2)19(26-3)9-14(13)16(22)10-15(17)21/h8-9,12,15-17H,4-7,10-11,21H2,1-3H3 | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem Lett 20: 1109-13 (2010)
Checked by Author
Article DOI: 10.1016/j.bmcl.2009.12.024
BindingDB Entry DOI: 10.7270/Q2222TW8 |
More data for this
Ligand-Target Pair | |
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