Found 9 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)) | BDBM50309502
(CHEMBL591279 | rac-3-(3-(fluoromethyl)phenyl)-9,10...)Show SMILES COc1cc2CCN3C[C@@H](C(N)C[C@H]3c2cc1OC)c1cccc(CF)c1 |r| Show InChI InChI=1S/C22H27FN2O2/c1-26-21-9-16-6-7-25-13-18(15-5-3-4-14(8-15)12-23)19(24)11-20(25)17(16)10-22(21)27-2/h3-5,8-10,18-20H,6-7,11-13,24H2,1-2H3/t18-,19?,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 | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 1106-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.025 BindingDB Entry DOI: 10.7270/Q2SJ1KQ3 |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50309504
(CHEMBL598470 | rac-3-(4-(fluoromethyl)pyridin-2-yl...)Show SMILES COc1cc2CCN3C[C@@H](C(N)C[C@H]3c2cc1OC)c1cc(CF)ccn1 |r| Show InChI InChI=1S/C21H26FN3O2/c1-26-20-8-14-4-6-25-12-16(18-7-13(11-22)3-5-24-18)17(23)10-19(25)15(14)9-21(20)27-2/h3,5,7-9,16-17,19H,4,6,10-12,23H2,1-2H3/t16-,17?,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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 1106-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.025 BindingDB Entry DOI: 10.7270/Q2SJ1KQ3 |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50309503
(CHEMBL601937 | rac-3-(2,5-dimethylphenyl)-9,10-dim...)Show SMILES COc1cc2CCN3C[C@@H](C(N)C[C@H]3c2cc1OC)c1cc(C)ccc1C |r| Show InChI InChI=1S/C23H30N2O2/c1-14-5-6-15(2)17(9-14)19-13-25-8-7-16-10-22(26-3)23(27-4)11-18(16)21(25)12-20(19)24/h5-6,9-11,19-21H,7-8,12-13,24H2,1-4H3/t19-,20?,21+/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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 1106-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.025 BindingDB Entry DOI: 10.7270/Q2SJ1KQ3 |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50309497
((2S,3S,11bS)-9,10-dimethoxy-3-(4-methylpyridin-2-y...)Show SMILES COc1cc2CCN3C[C@@H]([C@@H](N)C[C@H]3c2cc1OC)c1cc(C)ccn1 |r| Show InChI InChI=1S/C21H27N3O2/c1-13-4-6-23-18(8-13)16-12-24-7-5-14-9-20(25-2)21(26-3)10-15(14)19(24)11-17(16)22/h4,6,8-10,16-17,19H,5,7,11-12,22H2,1-3H3/t16-,17-,19-/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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 1106-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.025 BindingDB Entry DOI: 10.7270/Q2SJ1KQ3 |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50309497
((2S,3S,11bS)-9,10-dimethoxy-3-(4-methylpyridin-2-y...)Show SMILES COc1cc2CCN3C[C@@H]([C@@H](N)C[C@H]3c2cc1OC)c1cc(C)ccn1 |r| Show InChI InChI=1S/C21H27N3O2/c1-13-4-6-23-18(8-13)16-12-24-7-5-14-9-20(25-2)21(26-3)10-15(14)19(24)11-17(16)22/h4,6,8-10,16-17,19H,5,7,11-12,22H2,1-3H3/t16-,17-,19-/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 | 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 DPP4 |
Bioorg Med Chem Lett 20: 1106-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.025 BindingDB Entry DOI: 10.7270/Q2SJ1KQ3 |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50309500
(CHEMBL591277 | rac-3-(3-cyclopropylphenyl)-9,10-di...)Show SMILES COc1cc2CCN3C[C@@H](C(N)C[C@H]3c2cc1OC)c1cccc(c1)C1CC1 |r| Show InChI InChI=1S/C24H30N2O2/c1-27-23-11-18-8-9-26-14-20(17-5-3-4-16(10-17)15-6-7-15)21(25)13-22(26)19(18)12-24(23)28-2/h3-5,10-12,15,20-22H,6-9,13-14,25H2,1-2H3/t20-,21?,22+/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 | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 1106-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.025 BindingDB Entry DOI: 10.7270/Q2SJ1KQ3 |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50309499
(CHEMBL591982 | rac-3-(3-ethylphenyl)-9,10-dimethox...)Show SMILES CCc1cccc(c1)[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2CC1N |r| Show InChI InChI=1S/C23H30N2O2/c1-4-15-6-5-7-16(10-15)19-14-25-9-8-17-11-22(26-2)23(27-3)12-18(17)21(25)13-20(19)24/h5-7,10-12,19-21H,4,8-9,13-14,24H2,1-3H3/t19-,20?,21+/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 | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 1106-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.025 BindingDB Entry DOI: 10.7270/Q2SJ1KQ3 |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50309501
(CHEMBL591278 | rac-3-(3-isopropylphenyl)-9,10-dime...)Show SMILES COc1cc2CCN3C[C@@H](C(N)C[C@H]3c2cc1OC)c1cccc(c1)C(C)C |r| Show InChI InChI=1S/C24H32N2O2/c1-15(2)16-6-5-7-17(10-16)20-14-26-9-8-18-11-23(27-3)24(28-4)12-19(18)22(26)13-21(20)25/h5-7,10-12,15,20-22H,8-9,13-14,25H2,1-4H3/t20-,21?,22+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.50E+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 DPP4 |
Bioorg Med Chem Lett 20: 1106-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.025 BindingDB Entry DOI: 10.7270/Q2SJ1KQ3 |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50309498
((2R,3R,11bR)-9,10-dimethoxy-3-(4-methylpyridin-2-y...)Show SMILES COc1cc2CCN3C[C@H]([C@H](N)C[C@@H]3c2cc1OC)c1cc(C)ccn1 |r| Show InChI InChI=1S/C21H27N3O2/c1-13-4-6-23-18(8-13)16-12-24-7-5-14-9-20(25-2)21(26-3)10-15(14)19(24)11-17(16)22/h4,6,8-10,16-17,19H,5,7,11-12,22H2,1-3H3/t16-,17-,19-/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 | 5.30E+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 DPP4 |
Bioorg Med Chem Lett 20: 1106-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.025 BindingDB Entry DOI: 10.7270/Q2SJ1KQ3 |
More data for this Ligand-Target Pair | |