Found 958 hits with Last Name = 'long' and Initial = 'f' 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 |
|---|
Kallikrein-7
(Homo sapiens (Human)) | BDBM50073221
(CHEMBL3408420)Show SMILES COc1ccc(cc1OC)C1=Nc2nc3ccccn3c2C(=O)[C@H](Cc2ccccc2)N1 |r,t:11| Show InChI InChI=1S/C25H22N4O3/c1-31-19-12-11-17(15-20(19)32-2)24-26-18(14-16-8-4-3-5-9-16)23(30)22-25(28-24)27-21-10-6-7-13-29(21)22/h3-13,15,18H,14H2,1-2H3,(H,26,28)/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
| 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montpellier
Curated by ChEMBL
| Assay Description
Competitive inhibition of human KLK7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate by Lineweaver-Burk plot analysis |
Eur J Med Chem 93: 202-13 (2015)
Article DOI: 10.1016/j.ejmech.2015.02.008
BindingDB Entry DOI: 10.7270/Q27P913V |
More data for this
Ligand-Target Pair | |
Kallikrein-7
(Homo sapiens (Human)) | BDBM50073222
(CHEMBL3125572)Show SMILES Cc1ccccc1C1=Nc2nc3ccccn3c2C(=O)[C@H](Cc2ccccc2)N1 |r,t:8| Show InChI InChI=1S/C24H20N4O/c1-16-9-5-6-12-18(16)23-25-19(15-17-10-3-2-4-11-17)22(29)21-24(27-23)26-20-13-7-8-14-28(20)21/h2-14,19H,15H2,1H3,(H,25,27)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montpellier
Curated by ChEMBL
| Assay Description
Competitive inhibition of human KLK7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate by Lineweaver-Burk plot analysis |
Eur J Med Chem 93: 202-13 (2015)
Article DOI: 10.1016/j.ejmech.2015.02.008
BindingDB Entry DOI: 10.7270/Q27P913V |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320295
((S)-1-(2-((2beta,3aR,5S,6aS)-5-methoxyoctahydropen...)Show SMILES CO[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13-,14-,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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 by chemical luminescent assay |
Bioorg Med Chem Lett 20: 3521-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320285
((3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-yl)-...)Show SMILES CN(C)C(=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H27N5O2/c1-20(2)17(24)21-10-12-6-14(7-13(12)11-21)19-9-16(23)22-5-3-4-15(22)8-18/h12-15,19H,3-7,9-11H2,1-2H3/t12-,13+,14-,15-/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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3565-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.120
BindingDB Entry DOI: 10.7270/Q2P55NQQ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11695
((2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}p...)Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4| Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3565-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.120
BindingDB Entry DOI: 10.7270/Q2P55NQQ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320301
((S)-1-(2-((2beta,3aR,5S,6aS)-5-hydroxyoctahydropen...)Show SMILES O[C@H]1C[C@H]2C[C@H](C[C@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C15H23N3O2/c16-8-13-2-1-3-18(13)15(20)9-17-12-4-10-6-14(19)7-11(10)5-12/h10-14,17,19H,1-7,9H2/t10-,11+,12-,13-,14+/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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 by chemical luminescent assay |
Bioorg Med Chem Lett 20: 3521-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320294
((3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-yl)-...)Show SMILES CN(C)C(=O)N1C[C@H]2C[C@@](C)(C[C@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C18H29N5O2/c1-18(20-10-16(24)23-6-4-5-15(23)9-19)7-13-11-22(12-14(13)8-18)17(25)21(2)3/h13-15,20H,4-8,10-12H2,1-3H3/t13-,14+,15-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3565-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.120
BindingDB Entry DOI: 10.7270/Q2P55NQQ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320293
((3aR,5alpha,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-yl)...)Show SMILES CN(C)C(=O)N1C[C@H]2C[C@](C)(C[C@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C18H29N5O2/c1-18(20-10-16(24)23-6-4-5-15(23)9-19)7-13-11-22(12-14(13)8-18)17(25)21(2)3/h13-15,20H,4-8,10-12H2,1-3H3/t13-,14+,15-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3565-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.120
BindingDB Entry DOI: 10.7270/Q2P55NQQ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320291
((S)-1-(2-((3aR,5beta,6aS)-2-(2-hydroxyacetyl)octah...)Show SMILES OCC(=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C16H24N4O3/c17-6-14-2-1-3-20(14)15(22)7-18-13-4-11-8-19(16(23)10-21)9-12(11)5-13/h11-14,18,21H,1-5,7-10H2/t11-,12+,13-,14-/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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3565-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.120
BindingDB Entry DOI: 10.7270/Q2P55NQQ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50320300
((S)-1-(2-((2alpha,3aR,5S,6aS)-5-methoxyoctahydrope...)Show SMILES CO[C@@H]1C[C@@H]2C[C@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13+,14-,15+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP8 by chemical luminescent assay |
Bioorg Med Chem Lett 20: 3521-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320290
((3aR,5beta,6aS)-methyl 5-(2-((S)-2-cyanopyrrolidin...)Show SMILES COC(=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C16H24N4O3/c1-23-16(22)19-9-11-5-13(6-12(11)10-19)18-8-15(21)20-4-2-3-14(20)7-17/h11-14,18H,2-6,8-10H2,1H3/t11-,12+,13-,14-/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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3565-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.120
BindingDB Entry DOI: 10.7270/Q2P55NQQ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320299
((S)-1-(2-((2alpha,3aR,5R,6aS)-5-methoxyoctahydrope...)Show SMILES CO[C@H]1C[C@@H]2C[C@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13+,14-,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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 by chemical luminescent assay |
Bioorg Med Chem Lett 20: 3521-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320306
((S)-1-(2-((2beta,3aR,5R,6aS)-5-methoxyoctahydropen...)Show SMILES CO[C@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13-,14-,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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 by chemical luminescent assay |
Bioorg Med Chem Lett 20: 3521-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320302
((2S,3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-y...)Show SMILES CC(=O)O[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H25N3O3/c1-11(21)23-16-7-12-5-14(6-13(12)8-16)19-10-17(22)20-4-2-3-15(20)9-18/h12-16,19H,2-8,10H2,1H3/t12-,13+,14-,15-,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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 by chemical luminescent assay |
Bioorg Med Chem Lett 20: 3521-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50320299
((S)-1-(2-((2alpha,3aR,5R,6aS)-5-methoxyoctahydrope...)Show SMILES CO[C@H]1C[C@@H]2C[C@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13+,14-,15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 by chemical luminescent assay |
Bioorg Med Chem Lett 20: 3521-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50320300
((S)-1-(2-((2alpha,3aR,5S,6aS)-5-methoxyoctahydrope...)Show SMILES CO[C@@H]1C[C@@H]2C[C@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13+,14-,15+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 by chemical luminescent assay |
Bioorg Med Chem Lett 20: 3521-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320287
((3aR,5beta,6aS)-N-butyl-5-(2-((S)-2-cyanopyrrolidi...)Show SMILES O=C(CN[C@H]1C[C@H]2CN(C[C@H]2C1)C(=O)N1CCCC1)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C19H29N5O2/c20-10-17-4-3-7-24(17)18(25)11-21-16-8-14-12-23(13-15(14)9-16)19(26)22-5-1-2-6-22/h14-17,21H,1-9,11-13H2/t14-,15+,16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3565-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.120
BindingDB Entry DOI: 10.7270/Q2P55NQQ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM212892
(US9278960, 2-39 | US9663506, Example 2-39)Show SMILES COc1ccc(c(F)c1)-c1cc(nc2cc(CN3C(=O)CCC3=O)ccc12)C(N)=O Show InChI InChI=1S/C22H18FN3O4/c1-30-13-3-5-14(17(23)9-13)16-10-19(22(24)29)25-18-8-12(2-4-15(16)18)11-26-20(27)6-7-21(26)28/h2-5,8-10H,6-7,11H2,1H3,(H2,24,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of mGlu2R (unknown origin) |
J Med Chem 62: 378-384 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01266
BindingDB Entry DOI: 10.7270/Q2125WWX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320300
((S)-1-(2-((2alpha,3aR,5S,6aS)-5-methoxyoctahydrope...)Show SMILES CO[C@@H]1C[C@@H]2C[C@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13+,14-,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 | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 by chemical luminescent assay |
Bioorg Med Chem Lett 20: 3521-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320289
((3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-yl)-...)Show SMILES O=C(CN[C@H]1C[C@H]2CN(C[C@H]2C1)C(=O)N1CCOCC1)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C19H29N5O3/c20-10-17-2-1-3-24(17)18(25)11-21-16-8-14-12-23(13-15(14)9-16)19(26)22-4-6-27-7-5-22/h14-17,21H,1-9,11-13H2/t14-,15+,16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3565-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.120
BindingDB Entry DOI: 10.7270/Q2P55NQQ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320296
((S)-1-(2-((2beta,3aR,5S,6aS)-5-ethoxyoctahydropent...)Show SMILES CCO[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H27N3O2/c1-2-22-16-8-12-6-14(7-13(12)9-16)19-11-17(21)20-5-3-4-15(20)10-18/h12-16,19H,2-9,11H2,1H3/t12-,13+,14-,15-,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 | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 by chemical luminescent assay |
Bioorg Med Chem Lett 20: 3521-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320297
((2S,3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-y...)Show SMILES CN(C)C(=O)O[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C18H28N4O3/c1-21(2)18(24)25-16-8-12-6-14(7-13(12)9-16)20-11-17(23)22-5-3-4-15(22)10-19/h12-16,20H,3-9,11H2,1-2H3/t12-,13+,14-,15-,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 | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 by chemical luminescent assay |
Bioorg Med Chem Lett 20: 3521-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320288
((3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-yl)-...)Show SMILES O=C(CN[C@H]1C[C@H]2CN(C[C@H]2C1)C(=O)N1CCCCC1)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C20H31N5O2/c21-11-18-5-4-8-25(18)19(26)12-22-17-9-15-13-24(14-16(15)10-17)20(27)23-6-2-1-3-7-23/h15-18,22H,1-10,12-14H2/t15-,16+,17-,18-/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 | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3565-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.120
BindingDB Entry DOI: 10.7270/Q2P55NQQ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM430126
(4-(4-fluorophenyl)-5-((1-methyl-1H-pyrazol-3-yl)me...)Show InChI InChI=1S/C17H15FN4O2/c1-22-7-6-13(21-22)10-24-16-9-20-15(17(19)23)8-14(16)11-2-4-12(18)5-3-11/h2-9H,10H2,1H3,(H2,19,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of mGlu2R (unknown origin) |
J Med Chem 62: 378-384 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01266
BindingDB Entry DOI: 10.7270/Q2125WWX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320298
((2S,3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-y...)Show SMILES CCN(CC)C(=O)O[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C20H32N4O3/c1-3-23(4-2)20(26)27-18-10-14-8-16(9-15(14)11-18)22-13-19(25)24-7-5-6-17(24)12-21/h14-18,22H,3-11,13H2,1-2H3/t14-,15+,16-,17-,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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 by chemical luminescent assay |
Bioorg Med Chem Lett 20: 3521-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320292
((3aR,5alpha,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-yl)...)Show SMILES CN(C)C(=O)N1C[C@@H]2C[C@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H27N5O2/c1-20(2)17(24)21-10-12-6-14(7-13(12)11-21)19-9-16(23)22-5-3-4-15(22)8-18/h12-15,19H,3-7,9-11H2,1-2H3/t12-,13+,14+,15-/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 | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3565-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.120
BindingDB Entry DOI: 10.7270/Q2P55NQQ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Rattus norvegicus) | BDBM50503469
(CHEMBL4575990)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)n2nc(CCc3ccnc(c3)C(F)(F)F)cc2n1 Show InChI InChI=1S/C21H15F4N5O/c22-14-4-2-13(3-5-14)17-11-16(20(26)31)28-19-10-15(29-30(17)19)6-1-12-7-8-27-18(9-12)21(23,24)25/h2-5,7-11H,1,6H2,(H2,26,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of rat mGlu2R expressed in HEK293 cells co-expressing Galpha15 assessed as decrease in glutamate-induced calcium mobil... |
J Med Chem 62: 378-384 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01266
BindingDB Entry DOI: 10.7270/Q2125WWX |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Rattus norvegicus) | BDBM50503469
(CHEMBL4575990)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)n2nc(CCc3ccnc(c3)C(F)(F)F)cc2n1 Show InChI InChI=1S/C21H15F4N5O/c22-14-4-2-13(3-5-14)17-11-16(20(26)31)28-19-10-15(29-30(17)19)6-1-12-7-8-27-18(9-12)21(23,24)25/h2-5,7-11H,1,6H2,(H2,26,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of rat mGlu2R expressed in HEK293 cells co-expressing Galpha15 assessed as decrease in glutamate-induced calcium mobil... |
J Med Chem 62: 378-384 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01266
BindingDB Entry DOI: 10.7270/Q2125WWX |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Rattus norvegicus) | BDBM50503465
(CHEMBL4550009)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2F)n2nc(COc3ccnc(c3)C(F)(F)F)cc2n1 Show InChI InChI=1S/C20H12F5N5O2/c21-10-1-2-13(14(22)5-10)16-8-15(19(26)31)28-18-6-11(29-30(16)18)9-32-12-3-4-27-17(7-12)20(23,24)25/h1-8H,9H2,(H2,26,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of rat mGlu2R expressed in HEK293 cells co-expressing Galpha15 assessed as decrease in glutamate-induced calcium mobil... |
J Med Chem 62: 378-384 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01266
BindingDB Entry DOI: 10.7270/Q2125WWX |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Rattus norvegicus) | BDBM50503465
(CHEMBL4550009)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2F)n2nc(COc3ccnc(c3)C(F)(F)F)cc2n1 Show InChI InChI=1S/C20H12F5N5O2/c21-10-1-2-13(14(22)5-10)16-8-15(19(26)31)28-18-6-11(29-30(16)18)9-32-12-3-4-27-17(7-12)20(23,24)25/h1-8H,9H2,(H2,26,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of rat mGlu2R expressed in HEK293 cells co-expressing Galpha15 assessed as decrease in glutamate-induced calcium mobil... |
J Med Chem 62: 378-384 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01266
BindingDB Entry DOI: 10.7270/Q2125WWX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM602728
(2-[1-(2-Isoindolin-2-yl-6-methyl-4-oxo-chromen-8-y...)Show SMILES C[C@H](Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1Cc2ccccc2C1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2N58RBV |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320286
((3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-yl)-...)Show SMILES CC(C)NC(=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C18H29N5O2/c1-12(2)21-18(25)22-10-13-6-15(7-14(13)11-22)20-9-17(24)23-5-3-4-16(23)8-19/h12-16,20H,3-7,9-11H2,1-2H3,(H,21,25)/t13-,14+,15-,16-/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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3565-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.120
BindingDB Entry DOI: 10.7270/Q2P55NQQ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320305
((2S,3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-y...)Show SMILES O=C(Nc1ccccc1)O[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C22H28N4O3/c23-13-19-7-4-8-26(19)21(27)14-24-18-9-15-11-20(12-16(15)10-18)29-22(28)25-17-5-2-1-3-6-17/h1-3,5-6,15-16,18-20,24H,4,7-12,14H2,(H,25,28)/t15-,16+,18-,19-,20+/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 | 121 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 by chemical luminescent assay |
Bioorg Med Chem Lett 20: 3521-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM213122
(US9278960, 8-29 | US9636337, 8-29)Show SMILES COc1ccc(c(F)c1)-c1cc(nc2cc(CCc3cnc(C)nc3)ccc12)C(N)=O Show InChI InChI=1S/C24H21FN4O2/c1-14-27-12-16(13-28-14)4-3-15-5-7-19-20(11-23(24(26)30)29-22(19)9-15)18-8-6-17(31-2)10-21(18)25/h5-13H,3-4H2,1-2H3,(H2,26,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 146 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of mGlu2R (unknown origin) |
J Med Chem 62: 378-384 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01266
BindingDB Entry DOI: 10.7270/Q2125WWX |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Rattus norvegicus) | BDBM50503466
(CHEMBL4569114)Show SMILES COc1ccc(c(F)c1)-c1cc(nc2cc(COc3ccnc(c3)C(F)(F)F)nn12)C(N)=O Show InChI InChI=1S/C21H15F4N5O3/c1-32-12-2-3-14(15(22)7-12)17-9-16(20(26)31)28-19-6-11(29-30(17)19)10-33-13-4-5-27-18(8-13)21(23,24)25/h2-9H,10H2,1H3,(H2,26,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 148 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of rat mGlu2R expressed in HEK293 cells co-expressing Galpha15 assessed as decrease in glutamate-induced calcium mobil... |
J Med Chem 62: 378-384 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01266
BindingDB Entry DOI: 10.7270/Q2125WWX |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Rattus norvegicus) | BDBM50503466
(CHEMBL4569114)Show SMILES COc1ccc(c(F)c1)-c1cc(nc2cc(COc3ccnc(c3)C(F)(F)F)nn12)C(N)=O Show InChI InChI=1S/C21H15F4N5O3/c1-32-12-2-3-14(15(22)7-12)17-9-16(20(26)31)28-19-6-11(29-30(17)19)10-33-13-4-5-27-18(8-13)21(23,24)25/h2-9H,10H2,1H3,(H2,26,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 148 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of rat mGlu2R expressed in HEK293 cells co-expressing Galpha15 assessed as decrease in glutamate-induced calcium mobil... |
J Med Chem 62: 378-384 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01266
BindingDB Entry DOI: 10.7270/Q2125WWX |
More data for this
Ligand-Target Pair | |
Exportin-1
(Homo sapiens (Human)) | BDBM50527779
(CHEMBL4440028)Show SMILES [O-][S@@+](\C=C\CCN=C=S)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C13H9F6NOS2/c14-12(15,16)9-5-10(13(17,18)19)7-11(6-9)23(21)4-2-1-3-20-8-22/h2,4-7H,1,3H2/b4-2+/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 151 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of CRM1 in human HCT-15 cells assessed as reduction in cell viability incubated for 24 hrs |
J Med Chem 63: 3881-3895 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01663
BindingDB Entry DOI: 10.7270/Q26H4MW8 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Rattus norvegicus (Rat)) | BDBM50278653
(CHEMBL4163186 | US10399948, Compound 20)Show InChI InChI=1S/C19H15F2NO3/c20-17-7-6-14(12-18(17)21)22-9-8-16(13-19(22)23)25-11-10-24-15-4-2-1-3-5-15/h1-9,12-13H,10-11H2 | PDB
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UniChem
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of rat mGlu3 receptor expressed in TREX cells coexpressing Galpha15 assessed as inhibition of glutamate induced-calciu... |
ACS Med Chem Lett 8: 925-930 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00249
BindingDB Entry DOI: 10.7270/Q2ZP48NJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Rattus norvegicus (Rat)) | BDBM50278653
(CHEMBL4163186 | US10399948, Compound 20)Show InChI InChI=1S/C19H15F2NO3/c20-17-7-6-14(12-18(17)21)22-9-8-16(13-19(22)23)25-11-10-24-15-4-2-1-3-5-15/h1-9,12-13H,10-11H2 | PDB
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| n/a | n/a | 182 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of rat mGlu3 receptor expressed in TREX cells coexpressing Galpha15 assessed as inhibition of glutamate induced-calciu... |
ACS Med Chem Lett 8: 925-930 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00249
BindingDB Entry DOI: 10.7270/Q2ZP48NJ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320303
((2S,3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-y...)Show SMILES CC(C)NC(=O)O[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C19H30N4O3/c1-12(2)22-19(25)26-17-8-13-6-15(7-14(13)9-17)21-11-18(24)23-5-3-4-16(23)10-20/h12-17,21H,3-9,11H2,1-2H3,(H,22,25)/t13-,14+,15-,16-,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 204 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 by chemical luminescent assay |
Bioorg Med Chem Lett 20: 3521-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50503463
(CHEMBL4441595)Show SMILES C[C@H]1CN(Cc2ccc3n(cc(C(N)=O)c(=O)c3c2)-c2ccc(F)cc2)C[C@@H](C)O1 |r| Show InChI InChI=1S/C23H24FN3O3/c1-14-10-26(11-15(2)30-14)12-16-3-8-21-19(9-16)22(28)20(23(25)29)13-27(21)18-6-4-17(24)5-7-18/h3-9,13-15H,10-12H2,1-2H3,(H2,25,29)/t14-,15+ | PDB
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| n/a | n/a | 207 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of mGlu2R (unknown origin) |
J Med Chem 62: 378-384 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01266
BindingDB Entry DOI: 10.7270/Q2125WWX |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Rattus norvegicus) | BDBM50503467
(CHEMBL4533083)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)n2nc(COc3ccnc(Br)c3)cc2n1 Show InChI InChI=1S/C19H13BrFN5O2/c20-17-8-14(5-6-23-17)28-10-13-7-18-24-15(19(22)27)9-16(26(18)25-13)11-1-3-12(21)4-2-11/h1-9H,10H2,(H2,22,27) | PDB
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PubMed
| n/a | n/a | 224 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of rat mGlu2R expressed in HEK293 cells co-expressing Galpha15 assessed as decrease in glutamate-induced calcium mobil... |
J Med Chem 62: 378-384 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01266
BindingDB Entry DOI: 10.7270/Q2125WWX |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Rattus norvegicus) | BDBM50503467
(CHEMBL4533083)Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)n2nc(COc3ccnc(Br)c3)cc2n1 Show InChI InChI=1S/C19H13BrFN5O2/c20-17-8-14(5-6-23-17)28-10-13-7-18-24-15(19(22)27)9-16(26(18)25-13)11-1-3-12(21)4-2-11/h1-9H,10H2,(H2,22,27) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 224 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of rat mGlu2R expressed in HEK293 cells co-expressing Galpha15 assessed as decrease in glutamate-induced calcium mobil... |
J Med Chem 62: 378-384 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01266
BindingDB Entry DOI: 10.7270/Q2125WWX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM11695
((2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}p...)Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4| Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1 | PDB
KEGG
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PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 |
Bioorg Med Chem Lett 20: 3565-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.120
BindingDB Entry DOI: 10.7270/Q2P55NQQ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50320299
((S)-1-(2-((2alpha,3aR,5R,6aS)-5-methoxyoctahydrope...)Show SMILES CO[C@H]1C[C@@H]2C[C@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13+,14-,15-/m0/s1 | PDB
KEGG
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PubMed
| n/a | n/a | 235 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceuticals Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP8 by chemical luminescent assay |
Bioorg Med Chem Lett 20: 3521-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Rattus norvegicus (Rat)) | BDBM50278662
(CHEMBL4172540)Show SMILES C[C@@H](COc1ccn(-c2ccc(F)cc2)c(=O)c1)Oc1ccccc1 |r| Show InChI InChI=1S/C20H18FNO3/c1-15(25-18-5-3-2-4-6-18)14-24-19-11-12-22(20(23)13-19)17-9-7-16(21)8-10-17/h2-13,15H,14H2,1H3/t15-/m0/s1 | PDB
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| n/a | n/a | 245 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of rat mGlu3 receptor expressed in TREX cells coexpressing Galpha15 assessed as inhibition of glutamate induced-calciu... |
ACS Med Chem Lett 8: 925-930 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00249
BindingDB Entry DOI: 10.7270/Q2ZP48NJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Rattus norvegicus (Rat)) | BDBM50278662
(CHEMBL4172540)Show SMILES C[C@@H](COc1ccn(-c2ccc(F)cc2)c(=O)c1)Oc1ccccc1 |r| Show InChI InChI=1S/C20H18FNO3/c1-15(25-18-5-3-2-4-6-18)14-24-19-11-12-22(20(23)13-19)17-9-7-16(21)8-10-17/h2-13,15H,14H2,1H3/t15-/m0/s1 | PDB
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| n/a | n/a | 245 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of rat mGlu3 receptor expressed in TREX cells coexpressing Galpha15 assessed as inhibition of glutamate induced-calciu... |
ACS Med Chem Lett 8: 925-930 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00249
BindingDB Entry DOI: 10.7270/Q2ZP48NJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Rattus norvegicus (Rat)) | BDBM50278634
(CHEMBL4173490 | US10399948, Compound 23)Show InChI InChI=1S/C20H15FN2O3/c21-16-10-15(14-22)11-17(12-16)23-7-6-19(13-20(23)24)26-9-8-25-18-4-2-1-3-5-18/h1-7,10-13H,8-9H2 | PDB
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PubMed
| n/a | n/a | 269 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of rat mGlu3 receptor expressed in TREX cells coexpressing Galpha15 assessed as inhibition of glutamate induced-calciu... |
ACS Med Chem Lett 8: 925-930 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00249
BindingDB Entry DOI: 10.7270/Q2ZP48NJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Rattus norvegicus (Rat)) | BDBM50278634
(CHEMBL4173490 | US10399948, Compound 23)Show InChI InChI=1S/C20H15FN2O3/c21-16-10-15(14-22)11-17(12-16)23-7-6-19(13-20(23)24)26-9-8-25-18-4-2-1-3-5-18/h1-7,10-13H,8-9H2 | PDB
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| PC cid
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| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of rat mGlu3 receptor expressed in TREX cells coexpressing Galpha15 assessed as inhibition of glutamate induced-calciu... |
ACS Med Chem Lett 8: 925-930 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00249
BindingDB Entry DOI: 10.7270/Q2ZP48NJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Rattus norvegicus) | BDBM50503464
(CHEMBL4550517)Show SMILES COc1ccc(c(F)c1)-c1cc(nc2cc(COc3ccnc(C)c3)nn12)C(N)=O Show InChI InChI=1S/C21H18FN5O3/c1-12-7-15(5-6-24-12)30-11-13-8-20-25-18(21(23)28)10-19(27(20)26-13)16-4-3-14(29-2)9-17(16)22/h3-10H,11H2,1-2H3,(H2,23,28) | PDB
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| n/a | n/a | 288 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of rat mGlu2R expressed in HEK293 cells co-expressing Galpha15 assessed as decrease in glutamate-induced calcium mobil... |
J Med Chem 62: 378-384 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01266
BindingDB Entry DOI: 10.7270/Q2125WWX |
More data for this
Ligand-Target Pair | |
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