Found 50 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)) | BDBM50209925
((2S,3S,11bS)-9,10-dimethoxy-3-m-tolyl-2,3,4,6,7,11...)Show SMILES COc1cc2CCN3C[C@@H]([C@@H](N)C[C@H]3c2cc1OC)c1cccc(C)c1 Show InChI InChI=1S/C22H28N2O2/c1-14-5-4-6-15(9-14)18-13-24-8-7-16-10-21(25-2)22(26-3)11-17(16)20(24)12-19(18)23/h4-6,9-11,18-20H,7-8,12-13,23H2,1-3H3/t18-,19+,20+/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 | 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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209958
((2S,3S,11bS)-3-(3-chlorophenyl)-9,10-dimethoxy-2,3...)Show SMILES COc1cc2CCN3C[C@@H]([C@@H](N)C[C@H]3c2cc1OC)c1cccc(Cl)c1 Show InChI InChI=1S/C21H25ClN2O2/c1-25-20-9-14-6-7-24-12-17(13-4-3-5-15(22)8-13)18(23)11-19(24)16(14)10-21(20)26-2/h3-5,8-10,17-19H,6-7,11-12,23H2,1-2H3/t17-,18+,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 | 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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209928
((3S,11bS)-9,10-dimethoxy-3-m-tolyl-2,3,4,6,7,11b-h...)Show SMILES COc1cc2CCN3C[C@@H](C(N)C[C@H]3c2cc1OC)c1cccc(C)c1 |w:10.10| Show InChI InChI=1S/C22H28N2O2/c1-14-5-4-6-15(9-14)18-13-24-8-7-16-10-21(25-2)22(26-3)11-17(16)20(24)12-19(18)23/h4-6,9-11,18-20H,7-8,12-13,23H2,1-3H3/t18-,19?,20+/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 | 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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209933
((2R,3S,11bS)-9,10-dimethoxy-3-m-tolyl-2,3,4,6,7,11...)Show SMILES COc1cc2CCN3C[C@@H]([C@H](N)C[C@H]3c2cc1OC)c1cccc(C)c1 Show InChI InChI=1S/C22H28N2O2/c1-14-5-4-6-15(9-14)18-13-24-8-7-16-10-21(25-2)22(26-3)11-17(16)20(24)12-19(18)23/h4-6,9-11,18-20H,7-8,12-13,23H2,1-3H3/t18-,19-,20+/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 | 32 | 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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209945
((2R,3S,11bS)-3-(3-chlorophenyl)-9,10-dimethoxy-2,3...)Show SMILES COc1cc2CCN3C[C@@H]([C@H](N)C[C@H]3c2cc1OC)c1cccc(Cl)c1 Show InChI InChI=1S/C21H25ClN2O2/c1-25-20-9-14-6-7-24-12-17(13-4-3-5-15(22)8-13)18(23)11-19(24)16(14)10-21(20)26-2/h3-5,8-10,17-19H,6-7,11-12,23H2,1-2H3/t17-,18-,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 | 50 | 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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209947
((2S,3S,11bS)-9,10-dimethoxy-3-phenyl-2,3,4,6,7,11b...)Show SMILES COc1cc2CCN3C[C@@H]([C@@H](N)C[C@H]3c2cc1OC)c1ccccc1 Show InChI InChI=1S/C21H26N2O2/c1-24-20-10-15-8-9-23-13-17(14-6-4-3-5-7-14)18(22)12-19(23)16(15)11-21(20)25-2/h3-7,10-11,17-19H,8-9,12-13,22H2,1-2H3/t17-,18+,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 | 200 | 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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209936
((3S,11bS)-9,10-dimethoxy-3-phenyl-2,3,4,6,7,11b-he...)Show SMILES COc1cc2CCN3C[C@@H](C(N)C[C@H]3c2cc1OC)c1ccccc1 |w:10.10| Show InChI InChI=1S/C21H26N2O2/c1-24-20-10-15-8-9-23-13-17(14-6-4-3-5-7-14)18(22)12-19(23)16(15)11-21(20)25-2/h3-7,10-11,17-19H,8-9,12-13,22H2,1-2H3/t17-,18?,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 | 220 | 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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209939
((2R,3S,11bS)-9,10-dimethoxy-3-phenyl-2,3,4,6,7,11b...)Show SMILES COc1cc2CCN3C[C@@H]([C@H](N)C[C@H]3c2cc1OC)c1ccccc1 Show InChI InChI=1S/C21H26N2O2/c1-24-20-10-15-8-9-23-13-17(14-6-4-3-5-7-14)18(22)12-19(23)16(15)11-21(20)25-2/h3-7,10-11,17-19H,8-9,12-13,22H2,1-2H3/t17-,18-,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 | 270 | 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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209959
((2S,3S,11bS)-9,10-dimethoxy-3-p-tolyl-2,3,4,6,7,11...)Show SMILES COc1cc2CCN3C[C@@H]([C@@H](N)C[C@H]3c2cc1OC)c1ccc(C)cc1 Show InChI InChI=1S/C22H28N2O2/c1-14-4-6-15(7-5-14)18-13-24-9-8-16-10-21(25-2)22(26-3)11-17(16)20(24)12-19(18)23/h4-7,10-11,18-20H,8-9,12-13,23H2,1-3H3/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 | 370 | 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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209938
((2S,3S,11bS)-3-butyl-9,10-dimethoxy-2,3,4,6,7,11b-...)Show SMILES CCCC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1N |r| Show InChI InChI=1S/C19H30N2O2/c1-4-5-6-14-12-21-8-7-13-9-18(22-2)19(23-3)10-15(13)17(21)11-16(14)20/h9-10,14,16-17H,4-8,11-12,20H2,1-3H3/t14-,16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 520 | 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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209953
(1-(3,4-dimethoxyphenyl)-3-m-tolylpiperidin-4-amine...)Show SMILES COc1ccc(cc1OC)N1CCC(N)C(C1)c1cccc(C)c1 |w:13.14,15.18| Show InChI InChI=1S/C20H26N2O2/c1-14-5-4-6-15(11-14)17-13-22(10-9-18(17)21)16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17-18H,9-10,13,21H2,1-3H3 | 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 | 600 | 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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209930
((2R,3S,11bS)-9,10-dimethoxy-3-(3-methoxyphenyl)-2,...)Show SMILES COc1cccc(c1)[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1N Show InChI InChI=1S/C22H28N2O3/c1-25-16-6-4-5-14(9-16)18-13-24-8-7-15-10-21(26-2)22(27-3)11-17(15)20(24)12-19(18)23/h4-6,9-11,18-20H,7-8,12-13,23H2,1-3H3/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 | 650 | 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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209952
((2R,3S,11bS)-9,10-dimethoxy-3-(pyridin-2-yl)-2,3,4...)Show SMILES COc1cc2CCN3C[C@@H]([C@H](N)C[C@H]3c2cc1OC)c1ccccn1 Show InChI InChI=1S/C20H25N3O2/c1-24-19-9-13-6-8-23-12-15(17-5-3-4-7-22-17)16(21)11-18(23)14(13)10-20(19)25-2/h3-5,7,9-10,15-16,18H,6,8,11-12,21H2,1-2H3/t15-,16+,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 | 990 | 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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209962
((3S,4R)-3-butyl-1-(naphthalen-2-yl)piperidin-4-ami...)Show InChI InChI=1S/C19H26N2/c1-2-3-6-17-14-21(12-11-19(17)20)18-10-9-15-7-4-5-8-16(15)13-18/h4-5,7-10,13,17,19H,2-3,6,11-12,14,20H2,1H3/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 | 1.50E+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 human DPP4 |
Bioorg Med Chem Lett 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209926
((2S,3S,11bS)-9,10-dimethoxy-3-(pyridin-2-yl)-2,3,4...)Show SMILES COc1cc2CCN3C[C@@H]([C@@H](N)C[C@H]3c2cc1OC)c1ccccn1 Show InChI InChI=1S/C20H25N3O2/c1-24-19-9-13-6-8-23-12-15(17-5-3-4-7-22-17)16(21)11-18(23)14(13)10-20(19)25-2/h3-5,7,9-10,15-16,18H,6,8,11-12,21H2,1-2H3/t15-,16-,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 | 1.52E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209964
((3S,4R)-3-butyl-1-(3-methoxy-5-(trifluoromethyl)ph...)Show SMILES CCCC[C@H]1CN(CC[C@H]1N)c1cc(OC)cc(c1)C(F)(F)F Show InChI InChI=1S/C17H25F3N2O/c1-3-4-5-12-11-22(7-6-16(12)21)14-8-13(17(18,19)20)9-15(10-14)23-2/h8-10,12,16H,3-7,11,21H2,1-2H3/t12-,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 | 2.10E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209950
((3S,4R)-3-butyl-1-(3,4,5-trimethoxyphenyl)piperidi...)Show SMILES CCCC[C@H]1CN(CC[C@H]1N)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C18H30N2O3/c1-5-6-7-13-12-20(9-8-15(13)19)14-10-16(21-2)18(23-4)17(11-14)22-3/h10-11,13,15H,5-9,12,19H2,1-4H3/t13-,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 | 2.30E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209960
(3-butyl-1-(4-chloro-3-(trifluoromethyl)phenyl)pipe...)Show SMILES CCCCC1CN(CCC1N)c1ccc(Cl)c(c1)C(F)(F)F |w:9.10,4.3| Show InChI InChI=1S/C16H22ClF3N2/c1-2-3-4-11-10-22(8-7-15(11)21)12-5-6-14(17)13(9-12)16(18,19)20/h5-6,9,11,15H,2-4,7-8,10,21H2,1H3 | 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 | 2.60E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209941
((3S,4R)-3-butyl-1-(4-chloro-3-(trifluoromethyl)phe...)Show SMILES CCCC[C@H]1CN(CC[C@H]1N)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C16H22ClF3N2/c1-2-3-4-11-10-22(8-7-15(11)21)12-5-6-14(17)13(9-12)16(18,19)20/h5-6,9,11,15H,2-4,7-8,10,21H2,1H3/t11-,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 | 2.80E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209963
((3S,4R)-3-butyl-1-(3,4-dichlorophenyl)piperidin-4-...)Show InChI InChI=1S/C15H22Cl2N2/c1-2-3-4-11-10-19(8-7-15(11)18)12-5-6-13(16)14(17)9-12/h5-6,9,11,15H,2-4,7-8,10,18H2,1H3/t11-,15+/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 | 3.30E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209965
((3S,4R)-3-butyl-1-phenylpiperidin-4-amine | CHEMBL...)Show InChI InChI=1S/C15H24N2/c1-2-3-7-13-12-17(11-10-15(13)16)14-8-5-4-6-9-14/h4-6,8-9,13,15H,2-3,7,10-12,16H2,1H3/t13-,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 | 3.50E+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 human DPP4 |
Bioorg Med Chem Lett 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209951
((2S,3S,11bS)-3-(3,4-dimethylphenyl)-9,10-dimethoxy...)Show SMILES COc1cc2CCN3C[C@@H]([C@@H](N)C[C@H]3c2cc1OC)c1ccc(C)c(C)c1 Show InChI InChI=1S/C23H30N2O2/c1-14-5-6-16(9-15(14)2)19-13-25-8-7-17-10-22(26-3)23(27-4)11-18(17)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 | 3.73E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209927
((3S,4R)-3-butyl-1-(3,4-dimethoxyphenyl)piperidin-4...)Show SMILES CCCC[C@H]1CN(CCC1N)c1ccc(OC)c(OC)c1 |w:9.10| Show InChI InChI=1S/C17H28N2O2/c1-4-5-6-13-12-19(10-9-15(13)18)14-7-8-16(20-2)17(11-14)21-3/h7-8,11,13,15H,4-6,9-10,12,18H2,1-3H3/t13-,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 | 4.90E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209924
((3S,11bS)-9,10-dimethoxy-3-(3-methoxyphenyl)-2,3,4...)Show SMILES COc1cccc(c1)[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1N Show InChI InChI=1S/C22H28N2O3/c1-25-16-6-4-5-14(9-16)18-13-24-8-7-15-10-21(26-2)22(27-3)11-17(15)20(24)12-19(18)23/h4-6,9-11,18-20H,7-8,12-13,23H2,1-3H3/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 | 5.13E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209956
(3-butyl-1-(naphthalen-1-yl)piperidin-4-amine | CHE...)Show InChI InChI=1S/C19H26N2/c1-2-3-7-16-14-21(13-12-18(16)20)19-11-6-9-15-8-4-5-10-17(15)19/h4-6,8-11,16,18H,2-3,7,12-14,20H2,1H3 | 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 | 5.30E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209954
((3S,4R)-3-butyl-1-(6-methoxy-biphenyl-3-yl)-piperi...)Show SMILES CCCC[C@H]1CN(CC[C@H]1N)c1ccc(OC)c(c1)-c1ccccc1 Show InChI InChI=1S/C22H30N2O/c1-3-4-8-18-16-24(14-13-21(18)23)19-11-12-22(25-2)20(15-19)17-9-6-5-7-10-17/h5-7,9-12,15,18,21H,3-4,8,13-14,16,23H2,1-2H3/t18-,21+/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 | 5.80E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209935
((3S,4R)-3-butyl-1-(4-phenoxyphenyl)piperidin-4-ami...)Show InChI InChI=1S/C21H28N2O/c1-2-3-7-17-16-23(15-14-21(17)22)18-10-12-20(13-11-18)24-19-8-5-4-6-9-19/h4-6,8-13,17,21H,2-3,7,14-16,22H2,1H3/t17-,21+/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 | 6.30E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209937
(3-butyl-1-(3-methoxy-5-(trifluoromethyl)phenyl)pip...)Show SMILES CCCCC1CN(CCC1N)c1cc(OC)cc(c1)C(F)(F)F |w:9.10,4.3| Show InChI InChI=1S/C17H25F3N2O/c1-3-4-5-12-11-22(7-6-16(12)21)14-8-13(17(18,19)20)9-15(10-14)23-2/h8-10,12,16H,3-7,11,21H2,1-2H3 | 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 | 8.40E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209949
(1-(3,4-dimethoxyphenyl)-3-(pyridin-2-yl)piperidin-...)Show SMILES COc1ccc(cc1OC)N1CCC(N)C(C1)c1ccccn1 |w:13.14,15.18| Show InChI InChI=1S/C18H23N3O2/c1-22-17-7-6-13(11-18(17)23-2)21-10-8-15(19)14(12-21)16-5-3-4-9-20-16/h3-7,9,11,14-15H,8,10,12,19H2,1-2H3 | 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 | 8.90E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209955
((2R,3S,11bS)-3-(3,4-dimethylphenyl)-9,10-dimethoxy...)Show SMILES COc1cc2CCN3C[C@@H]([C@H](N)C[C@H]3c2cc1OC)c1ccc(C)c(C)c1 Show InChI InChI=1S/C23H30N2O2/c1-14-5-6-16(9-15(14)2)19-13-25-8-7-17-10-22(26-3)23(27-4)11-18(17)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 | 9.38E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209923
((3R,4R)-3-butyl-1-(naphthalen-2-yl)piperidin-4-ami...)Show InChI InChI=1S/C19H26N2/c1-2-3-6-17-14-21(12-11-19(17)20)18-10-9-15-7-4-5-8-16(15)13-18/h4-5,7-10,13,17,19H,2-3,6,11-12,14,20H2,1H3/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 | 9.40E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209934
((2R,3S,11bS)-9,10-dimethoxy-3-p-tolyl-2,3,4,6,7,11...)Show SMILES COc1cc2CCN3C[C@@H]([C@H](N)C[C@H]3c2cc1OC)c1ccc(C)cc1 Show InChI InChI=1S/C22H28N2O2/c1-14-4-6-15(7-5-14)18-13-24-9-8-16-10-21(25-2)22(26-3)11-17(16)20(24)12-19(18)23/h4-7,10-11,18-20H,8-9,12-13,23H2,1-3H3/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 | 1.06E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50209925
((2S,3S,11bS)-9,10-dimethoxy-3-m-tolyl-2,3,4,6,7,11...)Show SMILES COc1cc2CCN3C[C@@H]([C@@H](N)C[C@H]3c2cc1OC)c1cccc(C)c1 Show InChI InChI=1S/C22H28N2O2/c1-14-5-4-6-15(9-14)18-13-24-8-7-16-10-21(25-2)22(26-3)11-17(16)20(24)12-19(18)23/h4-6,9-11,18-20H,7-8,12-13,23H2,1-3H3/t18-,19+,20+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10E+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 CYP2D6 |
Bioorg Med Chem Lett 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209943
(1-(3,5-bis(trifluoromethyl)phenyl)-3-butylpiperidi...)Show SMILES CCCCC1CN(CCC1N)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:9.10,4.3| Show InChI InChI=1S/C17H22F6N2/c1-2-3-4-11-10-25(6-5-15(11)24)14-8-12(16(18,19)20)7-13(9-14)17(21,22)23/h7-9,11,15H,2-6,10,24H2,1H3 | 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 | 1.34E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209946
(3-butyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piper...)Show InChI InChI=1S/C19H30N2/c1-2-3-7-16-14-21(13-12-18(16)20)19-11-6-9-15-8-4-5-10-17(15)19/h6,9,11,16,18H,2-5,7-8,10,12-14,20H2,1H3 | 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 | 1.36E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209961
(1-(3,4-dimethoxyphenyl)-3-p-tolylpiperidin-4-amine...)Show SMILES COc1ccc(cc1OC)N1CCC(N)C(C1)c1ccc(C)cc1 |w:13.14,15.18| Show InChI InChI=1S/C20H26N2O2/c1-14-4-6-15(7-5-14)17-13-22(11-10-18(17)21)16-8-9-19(23-2)20(12-16)24-3/h4-9,12,17-18H,10-11,13,21H2,1-3H3 | 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 | 1.48E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50209925
((2S,3S,11bS)-9,10-dimethoxy-3-m-tolyl-2,3,4,6,7,11...)Show SMILES COc1cc2CCN3C[C@@H]([C@@H](N)C[C@H]3c2cc1OC)c1cccc(C)c1 Show InChI InChI=1S/C22H28N2O2/c1-14-5-4-6-15(9-14)18-13-24-8-7-16-10-21(25-2)22(26-3)11-17(16)20(24)12-19(18)23/h4-6,9-11,18-20H,7-8,12-13,23H2,1-3H3/t18-,19+,20+/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 | 1.50E+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 CYP2C9 |
Bioorg Med Chem Lett 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209931
((3R,4R)-3-butyl-1-(4-phenoxyphenyl)piperidin-4-ami...)Show SMILES CCCC[C@@H]1CN(CC[C@H]1N)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H28N2O/c1-2-3-7-17-16-23(15-14-21(17)22)18-10-12-20(13-11-18)24-19-8-5-4-6-9-19/h4-6,8-13,17,21H,2-3,7,14-16,22H2,1H3/t17-,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 | 1.50E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209932
((3R,4R)-3-butyl-1-(3,4,5-trimethoxyphenyl)piperidi...)Show SMILES CCCC[C@@H]1CN(CC[C@H]1N)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C18H30N2O3/c1-5-6-7-13-12-20(9-8-15(13)19)14-10-16(21-2)18(23-4)17(11-14)22-3/h10-11,13,15H,5-9,12,19H2,1-4H3/t13-,15-/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 | 1.84E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209922
(1-benzhydryl-3-butylpiperidin-4-amine | CHEMBL2344...)Show SMILES CCCCC1CN(CCC1N)C(c1ccccc1)c1ccccc1 |w:9.10,4.3| Show InChI InChI=1S/C22H30N2/c1-2-3-10-20-17-24(16-15-21(20)23)22(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20-22H,2-3,10,15-17,23H2,1H3 | 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 | 1.86E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209944
(1-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)piperid...)Show SMILES COc1cccc(c1)C1CN(CCC1N)c1ccc(OC)c(OC)c1 |w:13.15,8.8| Show InChI InChI=1S/C20H26N2O3/c1-23-16-6-4-5-14(11-16)17-13-22(10-9-18(17)21)15-7-8-19(24-2)20(12-15)25-3/h4-8,11-12,17-18H,9-10,13,21H2,1-3H3 | 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 | 2.56E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209942
((3R,4R)-3-butyl-1-(3,4-dimethoxyphenyl)piperidin-4...)Show InChI InChI=1S/C17H28N2O2/c1-4-5-6-13-12-19(10-9-15(13)18)14-7-8-16(20-2)17(11-14)21-3/h7-8,11,13,15H,4-6,9-10,12,18H2,1-3H3/t13-,15-/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 | 2.60E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209940
(1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)pipe...)Show SMILES COc1ccc(cc1OC)N1CCC(N)C(C1)c1ccc(C)c(C)c1 |w:13.14,15.18| Show InChI InChI=1S/C21H28N2O2/c1-14-5-6-16(11-15(14)2)18-13-23(10-9-19(18)22)17-7-8-20(24-3)21(12-17)25-4/h5-8,11-12,18-19H,9-10,13,22H2,1-4H3 | 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 | 3.13E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209957
((3R,4R)-3-butyl-1-phenylpiperidin-4-amine | CHEMBL...)Show InChI InChI=1S/C15H24N2/c1-2-3-7-13-12-17(11-10-15(13)16)14-8-5-4-6-9-14/h4-6,8-9,13,15H,2-3,7,10-12,16H2,1H3/t13-,15-/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 | 3.57E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209948
(3-butyl-1-cyclohexylpiperidin-4-amine | CHEMBL2344...)Show InChI InChI=1S/C15H30N2/c1-2-3-7-13-12-17(11-10-15(13)16)14-8-5-4-6-9-14/h13-15H,2-12,16H2,1H3 | 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 | 4.52E+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 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50209938
((2S,3S,11bS)-3-butyl-9,10-dimethoxy-2,3,4,6,7,11b-...)Show SMILES CCCC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1N |r| Show InChI InChI=1S/C19H30N2O2/c1-4-5-6-14-12-21-8-7-13-9-18(22-2)19(23-3)10-15(13)17(21)11-16(14)20/h9-10,14,16-17H,4-8,11-12,20H2,1-3H3/t14-,16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+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 CYP2C9 |
Bioorg Med Chem Lett 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50209938
((2S,3S,11bS)-3-butyl-9,10-dimethoxy-2,3,4,6,7,11b-...)Show SMILES CCCC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1N |r| Show InChI InChI=1S/C19H30N2O2/c1-4-5-6-14-12-21-8-7-13-9-18(22-2)19(23-3)10-15(13)17(21)11-16(14)20/h9-10,14,16-17H,4-8,11-12,20H2,1-3H3/t14-,16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+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 CYP3A4 |
Bioorg Med Chem Lett 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50209938
((2S,3S,11bS)-3-butyl-9,10-dimethoxy-2,3,4,6,7,11b-...)Show SMILES CCCC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1N |r| Show InChI InChI=1S/C19H30N2O2/c1-4-5-6-14-12-21-8-7-13-9-18(22-2)19(23-3)10-15(13)17(21)11-16(14)20/h9-10,14,16-17H,4-8,11-12,20H2,1-3H3/t14-,16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+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 CYP2D6 |
Bioorg Med Chem Lett 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50209925
((2S,3S,11bS)-9,10-dimethoxy-3-m-tolyl-2,3,4,6,7,11...)Show SMILES COc1cc2CCN3C[C@@H]([C@@H](N)C[C@H]3c2cc1OC)c1cccc(C)c1 Show InChI InChI=1S/C22H28N2O2/c1-14-5-4-6-15(9-14)18-13-24-8-7-16-10-21(25-2)22(26-3)11-17(16)20(24)12-19(18)23/h4-6,9-11,18-20H,7-8,12-13,23H2,1-3H3/t18-,19+,20+/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 | >5.00E+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 CYP3A4 |
Bioorg Med Chem Lett 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50209929
((3R,4R)-3-butyl-1-(6-methoxy-biphenyl-3-yl)-piperi...)Show SMILES CCCC[C@@H]1CN(CC[C@H]1N)c1ccc(OC)c(c1)-c1ccccc1 Show InChI InChI=1S/C22H30N2O/c1-3-4-8-18-16-24(14-13-21(18)23)19-11-12-22(25-2)20(15-19)17-9-6-5-7-10-17/h5-7,9-12,15,18,21H,3-4,8,13-14,16,23H2,1-2H3/t18-,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 | 1.42E+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 human DPP4 |
Bioorg Med Chem Lett 17: 2966-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.072
BindingDB Entry DOI: 10.7270/Q23T9GWP |
More data for this
Ligand-Target Pair | |
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