Found 106 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)) | BDBM50201594
((S)-3-(2-((S)-2-cyanopyrrolidin-1-yl)-2-oxoethylam...)Show SMILES C[C@@H](CC(=O)NC(C)(C)c1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H28N4O2/c1-15(22-14-19(26)24-11-7-10-17(24)13-21)12-18(25)23-20(2,3)16-8-5-4-6-9-16/h4-6,8-9,15,17,22H,7,10-12,14H2,1-3H3,(H,23,25)/t15-,17-/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 | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50201584
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES COc1ccc(NC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1OC Show InChI InChI=1S/C20H28N4O4/c1-20(2,22-13-19(26)24-9-5-6-15(24)12-21)11-18(25)23-14-7-8-16(27-3)17(10-14)28-4/h7-8,10,15,22H,5-6,9,11,13H2,1-4H3,(H,23,25)/t15-/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 | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50201598
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCCc1ccccn1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C19H27N5O2/c1-19(2,23-14-18(26)24-11-5-7-16(24)13-20)12-17(25)22-10-8-15-6-3-4-9-21-15/h3-4,6,9,16,23H,5,7-8,10-12,14H2,1-2H3,(H,22,25)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 118 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11710
((2S)-Cyanopyrrolidine analogue 18n | 3-({2-[(2S)-2...)Show SMILES CC(C)(NC(=O)CCNCC(=O)N1CCC[C@H]1C#N)c1ccccc1 |r| Show InChI InChI=1S/C19H26N4O2/c1-19(2,15-7-4-3-5-8-15)22-17(24)10-11-21-14-18(25)23-12-6-9-16(23)13-20/h3-5,7-8,16,21H,6,9-12,14H2,1-2H3,(H,22,24)/t16-/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 | 119 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50201588
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES COc1ccc(NC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)c(OC)c1OC Show InChI InChI=1S/C21H30N4O5/c1-21(2,23-13-18(27)25-10-6-7-14(25)12-22)11-17(26)24-15-8-9-16(28-3)20(30-5)19(15)29-4/h8-9,14,23H,6-7,10-11,13H2,1-5H3,(H,24,26)/t14-/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 | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50201589
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCCc1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H28N4O2/c1-20(2,23-15-19(26)24-12-6-9-17(24)14-21)13-18(25)22-11-10-16-7-4-3-5-8-16/h3-5,7-8,17,23H,6,9-13,15H2,1-2H3,(H,22,25)/t17-/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 | 144 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50201599
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES Cc1ccc(NC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1C Show InChI InChI=1S/C20H28N4O2/c1-14-7-8-16(10-15(14)2)23-18(25)11-20(3,4)22-13-19(26)24-9-5-6-17(24)12-21/h7-8,10,17,22H,5-6,9,11,13H2,1-4H3,(H,23,25)/t17-/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 | 174 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50201591
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCCc1ccc(Cl)c(Cl)c1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H26Cl2N4O2/c1-20(2,25-13-19(28)26-9-3-4-15(26)12-23)11-18(27)24-8-7-14-5-6-16(21)17(22)10-14/h5-6,10,15,25H,3-4,7-9,11,13H2,1-2H3,(H,24,27)/t15-/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 | 181 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50201595
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCc1ccc(cc1)C(F)(F)F)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H25F3N4O2/c1-19(2,26-13-18(29)27-9-3-4-16(27)11-24)10-17(28)25-12-14-5-7-15(8-6-14)20(21,22)23/h5-8,16,26H,3-4,9-10,12-13H2,1-2H3,(H,25,28)/t16-/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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50201601
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)Nc1ccc(F)cc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C18H23FN4O2/c1-18(2,10-16(24)22-14-7-5-13(19)6-8-14)21-12-17(25)23-9-3-4-15(23)11-20/h5-8,15,21H,3-4,9-10,12H2,1-2H3,(H,22,24)/t15-/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 | 197 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50201587
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)Nc1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C18H24N4O2/c1-18(2,11-16(23)21-14-7-4-3-5-8-14)20-13-17(24)22-10-6-9-15(22)12-19/h3-5,7-8,15,20H,6,9-11,13H2,1-2H3,(H,21,23)/t15-/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 | 207 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50201582
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)Nc1ccc(F)c(F)c1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C18H22F2N4O2/c1-18(2,22-11-17(26)24-7-3-4-13(24)10-21)9-16(25)23-12-5-6-14(19)15(20)8-12/h5-6,8,13,22H,3-4,7,9,11H2,1-2H3,(H,23,25)/t13-/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 | 225 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50201597
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES COc1ccc(CCNC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1OC Show InChI InChI=1S/C22H32N4O4/c1-22(2,25-15-21(28)26-11-5-6-17(26)14-23)13-20(27)24-10-9-16-7-8-18(29-3)19(12-16)30-4/h7-8,12,17,25H,5-6,9-11,13,15H2,1-4H3,(H,24,27)/t17-/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 | 232 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50201590
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCCc1ccc(cc1)C(F)(F)F)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C21H27F3N4O2/c1-20(2,27-14-19(30)28-11-3-4-17(28)13-25)12-18(29)26-10-9-15-5-7-16(8-6-15)21(22,23)24/h5-8,17,27H,3-4,9-12,14H2,1-2H3,(H,26,29)/t17-/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 | 236 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50201585
((S)-N-benzyl-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoet...)Show SMILES CC(C)(CC(=O)NCc1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C19H26N4O2/c1-19(2,11-17(24)21-13-15-7-4-3-5-8-15)22-14-18(25)23-10-6-9-16(23)12-20/h3-5,7-8,16,22H,6,9-11,13-14H2,1-2H3,(H,21,24)/t16-/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 | 239 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50201602
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCCc1cccc(c1)C(F)(F)F)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C21H27F3N4O2/c1-20(2,27-14-19(30)28-10-4-7-17(28)13-25)12-18(29)26-9-8-15-5-3-6-16(11-15)21(22,23)24/h3,5-6,11,17,27H,4,7-10,12,14H2,1-2H3,(H,26,29)/t17-/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 | 247 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50201596
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES Cc1ccc(CCNC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1 Show InChI InChI=1S/C21H30N4O2/c1-16-6-8-17(9-7-16)10-11-23-19(26)13-21(2,3)24-15-20(27)25-12-4-5-18(25)14-22/h6-9,18,24H,4-5,10-13,15H2,1-3H3,(H,23,26)/t18-/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 | 252 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50201592
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES COc1ccc(NC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1 Show InChI InChI=1S/C19H26N4O3/c1-19(2,21-13-18(25)23-10-4-5-15(23)12-20)11-17(24)22-14-6-8-16(26-3)9-7-14/h6-9,15,21H,4-5,10-11,13H2,1-3H3,(H,22,24)/t15-/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 | 253 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50201586
((S)-N-(biphenyl-4-yl)-3-(2-(2-cyanopyrrolidin-1-yl...)Show SMILES CC(C)(CC(=O)Nc1ccc(cc1)-c1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C24H28N4O2/c1-24(2,26-17-23(30)28-14-6-9-21(28)16-25)15-22(29)27-20-12-10-19(11-13-20)18-7-4-3-5-8-18/h3-5,7-8,10-13,21,26H,6,9,14-15,17H2,1-2H3,(H,27,29)/t21-/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 | 269 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11712
((2S)-Cyanopyrrolidine analogue 18p | 3-({2-[(2S)-2...)Show InChI InChI=1S/C16H20N4O2/c17-11-14-7-4-10-20(14)16(22)12-18-9-8-15(21)19-13-5-2-1-3-6-13/h1-3,5-6,14,18H,4,7-10,12H2,(H,19,21)/t14-/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 | 298 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50201583
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCCc1ccccc1C(F)(F)F)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C21H27F3N4O2/c1-20(2,27-14-19(30)28-11-5-7-16(28)13-25)12-18(29)26-10-9-15-6-3-4-8-17(15)21(22,23)24/h3-4,6,8,16,27H,5,7,9-12,14H2,1-2H3,(H,26,29)/t16-/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 | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50201603
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCc1ccccn1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C18H25N5O2/c1-18(2,10-16(24)21-12-14-6-3-4-8-20-14)22-13-17(25)23-9-5-7-15(23)11-19/h3-4,6,8,15,22H,5,7,9-10,12-13H2,1-2H3,(H,21,24)/t15-/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 | 433 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11705
((2S)-Cyanopyrrolidine analogue 18i | CHEMBL382907 ...)Show InChI InChI=1S/C17H22N4O2/c18-11-15-7-4-10-21(15)17(23)13-19-9-8-16(22)20-12-14-5-2-1-3-6-14/h1-3,5-6,15,19H,4,7-10,12-13H2,(H,20,22)/t15-/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 | 452 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11711
((2S)-Cyanopyrrolidine analogue 18o | 3-({2-[(2S)-2...)Show SMILES O=C(CCNCC(=O)N1CCC[C@H]1C#N)NCCc1ccccc1 |r| Show InChI InChI=1S/C18H24N4O2/c19-13-16-7-4-12-22(16)18(24)14-20-10-9-17(23)21-11-8-15-5-2-1-3-6-15/h1-3,5-6,16,20H,4,7-12,14H2,(H,21,23)/t16-/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 | 564 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM50201586
((S)-N-(biphenyl-4-yl)-3-(2-(2-cyanopyrrolidin-1-yl...)Show SMILES CC(C)(CC(=O)Nc1ccc(cc1)-c1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C24H28N4O2/c1-24(2,26-17-23(30)28-14-6-9-21(28)16-25)15-22(29)27-20-12-10-19(11-13-20)18-7-4-3-5-8-18/h3-5,7-8,10-13,21,26H,6,9,14-15,17H2,1-2H3,(H,27,29)/t21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM11712
((2S)-Cyanopyrrolidine analogue 18p | 3-({2-[(2S)-2...)Show InChI InChI=1S/C16H20N4O2/c17-11-14-7-4-10-20(14)16(22)12-18-9-8-15(21)19-13-5-2-1-3-6-13/h1-3,5-6,14,18H,4,7-10,12H2,(H,19,21)/t14-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 856 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50201593
((R)-3-(2-((S)-2-cyanopyrrolidin-1-yl)-2-oxoethylam...)Show SMILES C[C@H](CC(=O)NC(C)(C)c1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H28N4O2/c1-15(22-14-19(26)24-11-7-10-17(24)13-21)12-18(25)23-20(2,3)16-8-5-4-6-9-16/h4-6,8-9,15,17,22H,7,10-12,14H2,1-3H3,(H,23,25)/t15-,17+/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 | 911 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11720
((2S)-Cyanopyrrolidine analogue 21e | 3-({2-[(2S)-2...)Show SMILES CC(C)(CC(=O)NC(C)(C)c1ccccc1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C21H30N4O2/c1-20(2,23-15-19(27)25-12-8-11-17(25)14-22)13-18(26)24-21(3,4)16-9-6-5-7-10-16/h5-7,9-10,17,23H,8,11-13,15H2,1-4H3,(H,24,26)/t17-/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 | 1.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50201600
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NC(C)(C)Cc1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C22H32N4O2/c1-21(2,24-16-20(28)26-12-8-11-18(26)15-23)14-19(27)25-22(3,4)13-17-9-6-5-7-10-17/h5-7,9-10,18,24H,8,11-14,16H2,1-4H3,(H,25,27)/t18-/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 | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-4 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50201594
((S)-3-(2-((S)-2-cyanopyrrolidin-1-yl)-2-oxoethylam...)Show SMILES C[C@@H](CC(=O)NC(C)(C)c1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H28N4O2/c1-15(22-14-19(26)24-11-7-10-17(24)13-21)12-18(25)23-20(2,3)16-8-5-4-6-9-16/h4-6,8-9,15,17,22H,7,10-12,14H2,1-3H3,(H,23,25)/t15-,17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM11711
((2S)-Cyanopyrrolidine analogue 18o | 3-({2-[(2S)-2...)Show SMILES O=C(CCNCC(=O)N1CCC[C@H]1C#N)NCCc1ccccc1 |r| Show InChI InChI=1S/C18H24N4O2/c19-13-16-7-4-12-22(16)18(24)14-20-10-9-17(23)21-11-8-15-5-2-1-3-6-15/h1-3,5-6,16,20H,4,7-12,14H2,(H,21,23)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM11712
((2S)-Cyanopyrrolidine analogue 18p | 3-({2-[(2S)-2...)Show InChI InChI=1S/C16H20N4O2/c17-11-14-7-4-10-20(14)16(22)12-18-9-8-15(21)19-13-5-2-1-3-6-13/h1-3,5-6,14,18H,4,7-10,12H2,(H,19,21)/t14-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM11710
((2S)-Cyanopyrrolidine analogue 18n | 3-({2-[(2S)-2...)Show SMILES CC(C)(NC(=O)CCNCC(=O)N1CCC[C@H]1C#N)c1ccccc1 |r| Show InChI InChI=1S/C19H26N4O2/c1-19(2,15-7-4-3-5-8-15)22-17(24)10-11-21-14-18(25)23-12-6-9-16(23)13-20/h3-5,7-8,16,21H,6,9-12,14H2,1-2H3,(H,22,24)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM11705
((2S)-Cyanopyrrolidine analogue 18i | CHEMBL382907 ...)Show InChI InChI=1S/C17H22N4O2/c18-11-15-7-4-10-21(15)17(23)13-19-9-8-16(22)20-12-14-5-2-1-3-6-14/h1-3,5-6,15,19H,4,7-10,12-13H2,(H,20,22)/t15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM11705
((2S)-Cyanopyrrolidine analogue 18i | CHEMBL382907 ...)Show InChI InChI=1S/C17H22N4O2/c18-11-15-7-4-10-21(15)17(23)13-19-9-8-16(22)20-12-14-5-2-1-3-6-14/h1-3,5-6,15,19H,4,7-10,12-13H2,(H,20,22)/t15-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.74E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM50201592
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES COc1ccc(NC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1 Show InChI InChI=1S/C19H26N4O3/c1-19(2,21-13-18(25)23-10-4-5-15(23)12-20)11-17(24)22-14-6-8-16(26-3)9-7-14/h6-9,15,21H,4-5,10-11,13H2,1-3H3,(H,22,24)/t15-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of FAP, seprase |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM50201593
((R)-3-(2-((S)-2-cyanopyrrolidin-1-yl)-2-oxoethylam...)Show SMILES C[C@H](CC(=O)NC(C)(C)c1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H28N4O2/c1-15(22-14-19(26)24-11-7-10-17(24)13-21)12-18(25)23-20(2,3)16-8-5-4-6-9-16/h4-6,8-9,15,17,22H,7,10-12,14H2,1-3H3,(H,23,25)/t15-,17+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of FAP, seprase |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM50201598
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCCc1ccccn1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C19H27N5O2/c1-19(2,23-14-18(26)24-11-5-7-16(24)13-20)12-17(25)22-10-8-15-6-3-4-9-21-15/h3-4,6,9,16,23H,5,7-8,10-12,14H2,1-2H3,(H,22,25)/t16-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50201591
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCCc1ccc(Cl)c(Cl)c1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H26Cl2N4O2/c1-20(2,25-13-19(28)26-9-3-4-15(26)12-23)11-18(27)24-8-7-14-5-6-16(21)17(22)10-14/h5-6,10,15,25H,3-4,7-9,11,13H2,1-2H3,(H,24,27)/t15-/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM50201593
((R)-3-(2-((S)-2-cyanopyrrolidin-1-yl)-2-oxoethylam...)Show SMILES C[C@H](CC(=O)NC(C)(C)c1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H28N4O2/c1-15(22-14-19(26)24-11-7-10-17(24)13-21)12-18(25)23-20(2,3)16-8-5-4-6-9-16/h4-6,8-9,15,17,22H,7,10-12,14H2,1-3H3,(H,23,25)/t15-,17+/m1/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM50201582
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)Nc1ccc(F)c(F)c1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C18H22F2N4O2/c1-18(2,22-11-17(26)24-7-3-4-13(24)10-21)9-16(25)23-12-5-6-14(19)15(20)8-12/h5-6,8,13,22H,3-4,7,9,11H2,1-2H3,(H,23,25)/t13-/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM50201600
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NC(C)(C)Cc1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C22H32N4O2/c1-21(2,24-16-20(28)26-12-8-11-18(26)15-23)14-19(27)25-22(3,4)13-17-9-6-5-7-10-17/h5-7,9-10,18,24H,8,11-14,16H2,1-4H3,(H,25,27)/t18-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by ChEMBL
| Assay Description
In vitro inhibition of FAP, seprase |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM50201601
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)Nc1ccc(F)cc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C18H23FN4O2/c1-18(2,10-16(24)22-14-7-5-13(19)6-8-14)21-12-17(25)23-9-3-4-15(23)11-20/h5-8,15,21H,3-4,9-10,12H2,1-2H3,(H,22,24)/t15-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of FAP, seprase |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM11711
((2S)-Cyanopyrrolidine analogue 18o | 3-({2-[(2S)-2...)Show SMILES O=C(CCNCC(=O)N1CCC[C@H]1C#N)NCCc1ccccc1 |r| Show InChI InChI=1S/C18H24N4O2/c19-13-16-7-4-12-22(16)18(24)14-20-10-9-17(23)21-11-8-15-5-2-1-3-6-15/h1-3,5-6,16,20H,4,7-12,14H2,(H,21,23)/t16-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of FAP, seprase |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50201600
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NC(C)(C)Cc1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C22H32N4O2/c1-21(2,24-16-20(28)26-12-8-11-18(26)15-23)14-19(27)25-22(3,4)13-17-9-6-5-7-10-17/h5-7,9-10,18,24H,8,11-14,16H2,1-4H3,(H,25,27)/t18-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM50201597
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES COc1ccc(CCNC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1OC Show InChI InChI=1S/C22H32N4O4/c1-22(2,25-15-21(28)26-11-5-6-17(26)14-23)13-20(27)24-10-9-16-7-8-18(29-3)19(12-16)30-4/h7-8,12,17,25H,5-6,9-11,13,15H2,1-4H3,(H,24,27)/t17-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM11720
((2S)-Cyanopyrrolidine analogue 21e | 3-({2-[(2S)-2...)Show SMILES CC(C)(CC(=O)NC(C)(C)c1ccccc1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C21H30N4O2/c1-20(2,23-15-19(27)25-12-8-11-17(25)14-22)13-18(26)24-21(3,4)16-9-6-5-7-10-16/h5-7,9-10,17,23H,8,11-13,15H2,1-4H3,(H,24,26)/t17-/m0/s1 | PDB
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National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM50201591
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCCc1ccc(Cl)c(Cl)c1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H26Cl2N4O2/c1-20(2,25-13-19(28)26-9-3-4-15(26)12-23)11-18(27)24-8-7-14-5-6-16(21)17(22)10-14/h5-6,10,15,25H,3-4,7-9,11,13H2,1-2H3,(H,24,27)/t15-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of FAP, seprase |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM50201598
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCCc1ccccn1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C19H27N5O2/c1-19(2,23-14-18(26)24-11-5-7-16(24)13-20)12-17(25)22-10-8-15-6-3-4-9-21-15/h3-4,6,9,16,23H,5,7-8,10-12,14H2,1-2H3,(H,22,25)/t16-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by ChEMBL
| Assay Description
In vitro inhibition of FAP, seprase |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM50201583
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCCc1ccccc1C(F)(F)F)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C21H27F3N4O2/c1-20(2,27-14-19(30)28-11-5-7-16(28)13-25)12-18(29)26-10-9-15-6-3-4-8-17(15)21(22,23)24/h3-4,6,8,16,27H,5,7,9-12,14H2,1-2H3,(H,26,29)/t16-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of FAP, seprase |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM50201588
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES COc1ccc(NC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)c(OC)c1OC Show InChI InChI=1S/C21H30N4O5/c1-21(2,23-13-18(27)25-10-6-7-14(25)12-22)11-17(26)24-15-8-9-16(28-3)20(30-5)19(15)29-4/h8-9,14,23H,6-7,10-11,13H2,1-5H3,(H,24,26)/t14-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50201588
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES COc1ccc(NC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)c(OC)c1OC Show InChI InChI=1S/C21H30N4O5/c1-21(2,23-13-18(27)25-10-6-7-14(25)12-22)11-17(26)24-15-8-9-16(28-3)20(30-5)19(15)29-4/h8-9,14,23H,6-7,10-11,13H2,1-5H3,(H,24,26)/t14-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50201597
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES COc1ccc(CCNC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1OC Show InChI InChI=1S/C22H32N4O4/c1-22(2,25-15-21(28)26-11-5-6-17(26)14-23)13-20(27)24-10-9-16-7-8-18(29-3)19(12-16)30-4/h7-8,12,17,25H,5-6,9-11,13,15H2,1-4H3,(H,24,27)/t17-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM50201594
((S)-3-(2-((S)-2-cyanopyrrolidin-1-yl)-2-oxoethylam...)Show SMILES C[C@@H](CC(=O)NC(C)(C)c1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H28N4O2/c1-15(22-14-19(26)24-11-7-10-17(24)13-21)12-18(25)23-20(2,3)16-8-5-4-6-9-16/h4-6,8-9,15,17,22H,7,10-12,14H2,1-3H3,(H,23,25)/t15-,17-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM50201585
((S)-N-benzyl-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoet...)Show SMILES CC(C)(CC(=O)NCc1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C19H26N4O2/c1-19(2,11-17(24)21-13-15-7-4-3-5-8-15)22-14-18(25)23-10-6-9-16(23)12-20/h3-5,7-8,16,22H,6,9-11,13-14H2,1-2H3,(H,21,24)/t16-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50201602
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCCc1cccc(c1)C(F)(F)F)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C21H27F3N4O2/c1-20(2,27-14-19(30)28-10-4-7-17(28)13-25)12-18(29)26-9-8-15-5-3-6-16(11-15)21(22,23)24/h3,5-6,11,17,27H,4,7-10,12,14H2,1-2H3,(H,26,29)/t17-/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM50201589
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCCc1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H28N4O2/c1-20(2,23-15-19(26)24-12-6-9-17(24)14-21)13-18(25)22-11-10-16-7-4-3-5-8-16/h3-5,7-8,17,23H,6,9-13,15H2,1-2H3,(H,22,25)/t17-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM11710
((2S)-Cyanopyrrolidine analogue 18n | 3-({2-[(2S)-2...)Show SMILES CC(C)(NC(=O)CCNCC(=O)N1CCC[C@H]1C#N)c1ccccc1 |r| Show InChI InChI=1S/C19H26N4O2/c1-19(2,15-7-4-3-5-8-15)22-17(24)10-11-21-14-18(25)23-12-6-9-16(23)13-20/h3-5,7-8,16,21H,6,9-12,14H2,1-2H3,(H,22,24)/t16-/m0/s1 | PDB
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National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM50201588
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES COc1ccc(NC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)c(OC)c1OC Show InChI InChI=1S/C21H30N4O5/c1-21(2,23-13-18(27)25-10-6-7-14(25)12-22)11-17(26)24-15-8-9-16(28-3)20(30-5)19(15)29-4/h8-9,14,23H,6-7,10-11,13H2,1-5H3,(H,24,26)/t14-/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
In vitro inhibition of FAP, seprase |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM50201602
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCCc1cccc(c1)C(F)(F)F)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C21H27F3N4O2/c1-20(2,27-14-19(30)28-10-4-7-17(28)13-25)12-18(29)26-9-8-15-5-3-6-16(11-15)21(22,23)24/h3,5-6,11,17,27H,4,7-10,12,14H2,1-2H3,(H,26,29)/t17-/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
In vitro inhibition of FAP, seprase |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM50201595
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCc1ccc(cc1)C(F)(F)F)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H25F3N4O2/c1-19(2,26-13-18(29)27-9-3-4-16(27)11-24)10-17(28)25-12-14-5-7-15(8-6-14)20(21,22)23/h5-8,16,26H,3-4,9-10,12-13H2,1-2H3,(H,25,28)/t16-/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
In vitro inhibition of FAP, seprase |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50201584
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES COc1ccc(NC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1OC Show InChI InChI=1S/C20H28N4O4/c1-20(2,22-13-19(26)24-9-5-6-15(24)12-21)11-18(25)23-14-7-8-16(27-3)17(10-14)28-4/h7-8,10,15,22H,5-6,9,11,13H2,1-4H3,(H,23,25)/t15-/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM50201600
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NC(C)(C)Cc1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C22H32N4O2/c1-21(2,24-16-20(28)26-12-8-11-18(26)15-23)14-19(27)25-22(3,4)13-17-9-6-5-7-10-17/h5-7,9-10,18,24H,8,11-14,16H2,1-4H3,(H,25,27)/t18-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM50201599
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES Cc1ccc(NC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1C Show InChI InChI=1S/C20H28N4O2/c1-14-7-8-16(10-15(14)2)23-18(25)11-20(3,4)22-13-19(26)24-9-5-6-17(24)12-21/h7-8,10,17,22H,5-6,9,11,13H2,1-4H3,(H,23,25)/t17-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50201587
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)Nc1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C18H24N4O2/c1-18(2,11-16(23)21-14-7-4-3-5-8-14)20-13-17(24)22-10-6-9-15(22)12-19/h3-5,7-8,15,20H,6,9-11,13H2,1-2H3,(H,21,23)/t15-/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM50201596
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES Cc1ccc(CCNC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1 Show InChI InChI=1S/C21H30N4O2/c1-16-6-8-17(9-7-16)10-11-23-19(26)13-21(2,3)24-15-20(27)25-12-4-5-18(25)14-22/h6-9,18,24H,4-5,10-13,15H2,1-3H3,(H,23,26)/t18-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50201598
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCCc1ccccn1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C19H27N5O2/c1-19(2,23-14-18(26)24-11-5-7-16(24)13-20)12-17(25)22-10-8-15-6-3-4-9-21-15/h3-4,6,9,16,23H,5,7-8,10-12,14H2,1-2H3,(H,22,25)/t16-/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50201596
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES Cc1ccc(CCNC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1 Show InChI InChI=1S/C21H30N4O2/c1-16-6-8-17(9-7-16)10-11-23-19(26)13-21(2,3)24-15-20(27)25-12-4-5-18(25)14-22/h6-9,18,24H,4-5,10-13,15H2,1-3H3,(H,23,26)/t18-/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM50201586
((S)-N-(biphenyl-4-yl)-3-(2-(2-cyanopyrrolidin-1-yl...)Show SMILES CC(C)(CC(=O)Nc1ccc(cc1)-c1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C24H28N4O2/c1-24(2,26-17-23(30)28-14-6-9-21(28)16-25)15-22(29)27-20-12-10-19(11-13-20)18-7-4-3-5-8-18/h3-5,7-8,10-13,21,26H,6,9,14-15,17H2,1-2H3,(H,27,29)/t21-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by ChEMBL
| Assay Description
In vitro inhibition of FAP, seprase |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM50201584
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES COc1ccc(NC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1OC Show InChI InChI=1S/C20H28N4O4/c1-20(2,22-13-19(26)24-9-5-6-15(24)12-21)11-18(25)23-14-7-8-16(27-3)17(10-14)28-4/h7-8,10,15,22H,5-6,9,11,13H2,1-4H3,(H,23,25)/t15-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of FAP, seprase |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM50201587
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)Nc1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C18H24N4O2/c1-18(2,11-16(23)21-14-7-4-3-5-8-14)20-13-17(24)22-10-6-9-15(22)12-19/h3-5,7-8,15,20H,6,9-11,13H2,1-2H3,(H,21,23)/t15-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50201589
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCCc1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H28N4O2/c1-20(2,23-15-19(26)24-12-6-9-17(24)14-21)13-18(25)22-11-10-16-7-4-3-5-8-16/h3-5,7-8,17,23H,6,9-13,15H2,1-2H3,(H,22,25)/t17-/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM50201595
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCc1ccc(cc1)C(F)(F)F)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H25F3N4O2/c1-19(2,26-13-18(29)27-9-3-4-16(27)11-24)10-17(28)25-12-14-5-7-15(8-6-14)20(21,22)23/h5-8,16,26H,3-4,9-10,12-13H2,1-2H3,(H,25,28)/t16-/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50201590
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCCc1ccc(cc1)C(F)(F)F)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C21H27F3N4O2/c1-20(2,27-14-19(30)28-11-3-4-17(28)13-25)12-18(29)26-10-9-15-5-7-16(8-6-15)21(22,23)24/h5-8,17,27H,3-4,9-12,14H2,1-2H3,(H,26,29)/t17-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50201601
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)Nc1ccc(F)cc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C18H23FN4O2/c1-18(2,10-16(24)22-14-7-5-13(19)6-8-14)21-12-17(25)23-9-3-4-15(23)11-20/h5-8,15,21H,3-4,9-10,12H2,1-2H3,(H,22,24)/t15-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM50201601
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)Nc1ccc(F)cc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C18H23FN4O2/c1-18(2,10-16(24)22-14-7-5-13(19)6-8-14)21-12-17(25)23-9-3-4-15(23)11-20/h5-8,15,21H,3-4,9-10,12H2,1-2H3,(H,22,24)/t15-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM50201591
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCCc1ccc(Cl)c(Cl)c1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H26Cl2N4O2/c1-20(2,25-13-19(28)26-9-3-4-15(26)12-23)11-18(27)24-8-7-14-5-6-16(21)17(22)10-14/h5-6,10,15,25H,3-4,7-9,11,13H2,1-2H3,(H,24,27)/t15-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50201592
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES COc1ccc(NC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1 Show InChI InChI=1S/C19H26N4O3/c1-19(2,21-13-18(25)23-10-4-5-15(23)12-20)11-17(24)22-14-6-8-16(26-3)9-7-14/h6-9,15,21H,4-5,10-11,13H2,1-3H3,(H,22,24)/t15-/m0/s1 | PDB
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National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50201586
((S)-N-(biphenyl-4-yl)-3-(2-(2-cyanopyrrolidin-1-yl...)Show SMILES CC(C)(CC(=O)Nc1ccc(cc1)-c1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C24H28N4O2/c1-24(2,26-17-23(30)28-14-6-9-21(28)16-25)15-22(29)27-20-12-10-19(11-13-20)18-7-4-3-5-8-18/h3-5,7-8,10-13,21,26H,6,9,14-15,17H2,1-2H3,(H,27,29)/t21-/m0/s1 | PDB
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National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50201595
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCc1ccc(cc1)C(F)(F)F)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H25F3N4O2/c1-19(2,26-13-18(29)27-9-3-4-16(27)11-24)10-17(28)25-12-14-5-7-15(8-6-14)20(21,22)23/h5-8,16,26H,3-4,9-10,12-13H2,1-2H3,(H,25,28)/t16-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM50201603
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCc1ccccn1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C18H25N5O2/c1-18(2,10-16(24)21-12-14-6-3-4-8-20-14)22-13-17(25)23-9-5-7-15(23)11-19/h3-4,6,8,15,22H,5,7,9-10,12-13H2,1-2H3,(H,21,24)/t15-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM11720
((2S)-Cyanopyrrolidine analogue 21e | 3-({2-[(2S)-2...)Show SMILES CC(C)(CC(=O)NC(C)(C)c1ccccc1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C21H30N4O2/c1-20(2,23-15-19(27)25-12-8-11-17(25)14-22)13-18(26)24-21(3,4)16-9-6-5-7-10-16/h5-7,9-10,17,23H,8,11-13,15H2,1-4H3,(H,24,26)/t17-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM50201589
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCCc1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H28N4O2/c1-20(2,23-15-19(26)24-12-6-9-17(24)14-21)13-18(25)22-11-10-16-7-4-3-5-8-16/h3-5,7-8,17,23H,6,9-13,15H2,1-2H3,(H,22,25)/t17-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of FAP, seprase |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM50201599
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES Cc1ccc(NC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1C Show InChI InChI=1S/C20H28N4O2/c1-14-7-8-16(10-15(14)2)23-18(25)11-20(3,4)22-13-19(26)24-9-5-6-17(24)12-21/h7-8,10,17,22H,5-6,9,11,13H2,1-4H3,(H,23,25)/t17-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of FAP, seprase |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM50201582
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)Nc1ccc(F)c(F)c1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C18H22F2N4O2/c1-18(2,22-11-17(26)24-7-3-4-13(24)10-21)9-16(25)23-12-5-6-14(19)15(20)8-12/h5-6,8,13,22H,3-4,7,9,11H2,1-2H3,(H,23,25)/t13-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of FAP, seprase |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM11710
((2S)-Cyanopyrrolidine analogue 18n | 3-({2-[(2S)-2...)Show SMILES CC(C)(NC(=O)CCNCC(=O)N1CCC[C@H]1C#N)c1ccccc1 |r| Show InChI InChI=1S/C19H26N4O2/c1-19(2,15-7-4-3-5-8-15)22-17(24)10-11-21-14-18(25)23-12-6-9-16(23)13-20/h3-5,7-8,16,21H,6,9-12,14H2,1-2H3,(H,22,24)/t16-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of FAP, seprase |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM11705
((2S)-Cyanopyrrolidine analogue 18i | CHEMBL382907 ...)Show InChI InChI=1S/C17H22N4O2/c18-11-15-7-4-10-21(15)17(23)13-19-9-8-16(22)20-12-14-5-2-1-3-6-14/h1-3,5-6,15,19H,4,7-10,12-13H2,(H,20,22)/t15-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of FAP, seprase |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50201599
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES Cc1ccc(NC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1C Show InChI InChI=1S/C20H28N4O2/c1-14-7-8-16(10-15(14)2)23-18(25)11-20(3,4)22-13-19(26)24-9-5-6-17(24)12-21/h7-8,10,17,22H,5-6,9,11,13H2,1-4H3,(H,23,25)/t17-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM50201590
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCCc1ccc(cc1)C(F)(F)F)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C21H27F3N4O2/c1-20(2,27-14-19(30)28-11-3-4-17(28)13-25)12-18(29)26-10-9-15-5-7-16(8-6-15)21(22,23)24/h5-8,17,27H,3-4,9-12,14H2,1-2H3,(H,26,29)/t17-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM50201583
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCCc1ccccc1C(F)(F)F)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C21H27F3N4O2/c1-20(2,27-14-19(30)28-11-5-7-16(28)13-25)12-18(29)26-10-9-15-6-3-4-8-17(15)21(22,23)24/h3-4,6,8,16,27H,5,7,9-12,14H2,1-2H3,(H,26,29)/t16-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50201603
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCc1ccccn1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C18H25N5O2/c1-18(2,10-16(24)21-12-14-6-3-4-8-20-14)22-13-17(25)23-9-5-7-15(23)11-19/h3-4,6,8,15,22H,5,7,9-10,12-13H2,1-2H3,(H,21,24)/t15-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM50201584
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES COc1ccc(NC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1OC Show InChI InChI=1S/C20H28N4O4/c1-20(2,22-13-19(26)24-9-5-6-15(24)12-21)11-18(25)23-14-7-8-16(27-3)17(10-14)28-4/h7-8,10,15,22H,5-6,9,11,13H2,1-4H3,(H,23,25)/t15-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM50201592
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES COc1ccc(NC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1 Show InChI InChI=1S/C19H26N4O3/c1-19(2,21-13-18(25)23-10-4-5-15(23)12-20)11-17(24)22-14-6-8-16(26-3)9-7-14/h6-9,15,21H,4-5,10-11,13H2,1-3H3,(H,22,24)/t15-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50201585
((S)-N-benzyl-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoet...)Show SMILES CC(C)(CC(=O)NCc1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C19H26N4O2/c1-19(2,11-17(24)21-13-15-7-4-3-5-8-15)22-14-18(25)23-10-6-9-16(23)12-20/h3-5,7-8,16,22H,6,9-11,13-14H2,1-2H3,(H,21,24)/t16-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM50201587
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)Nc1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C18H24N4O2/c1-18(2,11-16(23)21-14-7-4-3-5-8-14)20-13-17(24)22-10-6-9-15(22)12-19/h3-5,7-8,15,20H,6,9-11,13H2,1-2H3,(H,21,23)/t15-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by ChEMBL
| Assay Description
In vitro inhibition of FAP, seprase |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM50201603
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCc1ccccn1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C18H25N5O2/c1-18(2,10-16(24)21-12-14-6-3-4-8-20-14)22-13-17(25)23-9-5-7-15(23)11-19/h3-4,6,8,15,22H,5,7,9-10,12-13H2,1-2H3,(H,21,24)/t15-/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
In vitro inhibition of FAP, seprase |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM50201590
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCCc1ccc(cc1)C(F)(F)F)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C21H27F3N4O2/c1-20(2,27-14-19(30)28-11-3-4-17(28)13-25)12-18(29)26-10-9-15-5-7-16(8-6-15)21(22,23)24/h5-8,17,27H,3-4,9-12,14H2,1-2H3,(H,26,29)/t17-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of FAP, seprase |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM50201596
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES Cc1ccc(CCNC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1 Show InChI InChI=1S/C21H30N4O2/c1-16-6-8-17(9-7-16)10-11-23-19(26)13-21(2,3)24-15-20(27)25-12-4-5-18(25)14-22/h6-9,18,24H,4-5,10-13,15H2,1-3H3,(H,23,26)/t18-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of FAP, seprase |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM11720
((2S)-Cyanopyrrolidine analogue 21e | 3-({2-[(2S)-2...)Show SMILES CC(C)(CC(=O)NC(C)(C)c1ccccc1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C21H30N4O2/c1-20(2,23-15-19(27)25-12-8-11-17(25)14-22)13-18(26)24-21(3,4)16-9-6-5-7-10-16/h5-7,9-10,17,23H,8,11-13,15H2,1-4H3,(H,24,26)/t17-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of FAP, seprase |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50201593
((R)-3-(2-((S)-2-cyanopyrrolidin-1-yl)-2-oxoethylam...)Show SMILES C[C@H](CC(=O)NC(C)(C)c1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H28N4O2/c1-15(22-14-19(26)24-11-7-10-17(24)13-21)12-18(25)23-20(2,3)16-8-5-4-6-9-16/h4-6,8-9,15,17,22H,7,10-12,14H2,1-3H3,(H,23,25)/t15-,17+/m1/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50201583
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCCc1ccccc1C(F)(F)F)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C21H27F3N4O2/c1-20(2,27-14-19(30)28-11-5-7-16(28)13-25)12-18(29)26-10-9-15-6-3-4-8-17(15)21(22,23)24/h3-4,6,8,16,27H,5,7,9-12,14H2,1-2H3,(H,26,29)/t16-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM50201602
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)NCCc1cccc(c1)C(F)(F)F)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C21H27F3N4O2/c1-20(2,27-14-19(30)28-10-4-7-17(28)13-25)12-18(29)26-9-8-15-5-3-6-16(11-15)21(22,23)24/h3,5-6,11,17,27H,4,7-10,12,14H2,1-2H3,(H,26,29)/t17-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM50201597
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES COc1ccc(CCNC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1OC Show InChI InChI=1S/C22H32N4O4/c1-22(2,25-15-21(28)26-11-5-6-17(26)14-23)13-20(27)24-10-9-16-7-8-18(29-3)19(12-16)30-4/h7-8,12,17,25H,5-6,9-11,13,15H2,1-4H3,(H,24,27)/t17-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of FAP, seprase |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM50201585
((S)-N-benzyl-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoet...)Show SMILES CC(C)(CC(=O)NCc1ccccc1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C19H26N4O2/c1-19(2,11-17(24)21-13-15-7-4-3-5-8-15)22-14-18(25)23-10-6-9-16(23)12-20/h3-5,7-8,16,22H,6,9-11,13-14H2,1-2H3,(H,21,24)/t16-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of FAP, seprase |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM11711
((2S)-Cyanopyrrolidine analogue 18o | 3-({2-[(2S)-2...)Show SMILES O=C(CCNCC(=O)N1CCC[C@H]1C#N)NCCc1ccccc1 |r| Show InChI InChI=1S/C18H24N4O2/c19-13-16-7-4-12-22(16)18(24)14-20-10-9-17(23)21-11-8-15-5-2-1-3-6-15/h1-3,5-6,16,20H,4,7-12,14H2,(H,21,23)/t16-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-II |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50201582
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)Show SMILES CC(C)(CC(=O)Nc1ccc(F)c(F)c1)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C18H22F2N4O2/c1-18(2,22-11-17(26)24-7-3-4-13(24)10-21)9-16(25)23-12-5-6-14(19)15(20)8-12/h5-6,8,13,22H,3-4,7,9,11H2,1-2H3,(H,23,25)/t13-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
In vitro inhibition of DPP-8 |
Bioorg Med Chem Lett 17: 1274-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7 |
More data for this
Ligand-Target Pair | |
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