Found 165 hits with Last Name = 'shy' and Initial = 'hs' 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)) | BDBM50225074
((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2 |TLB:1:12:15:20.18.17,THB:13:14:17:22.12.21,13:12:15.14.20:17,21:12:15:20.18.17,21:18:15:22.13.12,19:18:15:22.13.12| Show InChI InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/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 | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320120
((2S,4S)-4-fluoro-1-(2-(2-methyl-4-oxo-4-(pyrrolidi...)Show SMILES CC(C)(CC(=O)N1CCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C16H25FN4O2/c1-16(2,8-14(22)20-5-3-4-6-20)19-10-15(23)21-11-12(17)7-13(21)9-18/h12-13,19H,3-8,10-11H2,1-2H3/t12-,13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 in presence of 50% human serum |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50279126
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...)Show SMILES CN1C(=NC(=S)C1(C)C)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:2| Show InChI InChI=1S/C22H19Cl3N4S/c1-12-18(20-26-21(30)22(2,3)28(20)4)27-29(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells |
J Med Chem 52: 4496-510 (2009)
Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4 |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320120
((2S,4S)-4-fluoro-1-(2-(2-methyl-4-oxo-4-(pyrrolidi...)Show SMILES CC(C)(CC(=O)N1CCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C16H25FN4O2/c1-16(2,8-14(22)20-5-3-4-6-20)19-10-15(23)21-11-12(17)7-13(21)9-18/h12-13,19H,3-8,10-11H2,1-2H3/t12-,13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 in presence of 50% human serum |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50279166
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=S)C(C)(C)N1C |t:25| Show InChI InChI=1S/C23H21Cl3N4S/c1-5-16-19(21-27-22(31)23(2,3)29(21)4)28-30(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells |
J Med Chem 52: 4496-510 (2009)
Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50279205
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC2(CCCCC2)C(=O)N1 |t:25| Show InChI InChI=1S/C25H23Cl3N4O/c1-2-18-21(23-29-24(33)25(30-23)12-4-3-5-13-25)31-32(20-11-10-17(27)14-19(20)28)22(18)15-6-8-16(26)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,29,30,33) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12.3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells |
J Med Chem 52: 4496-510 (2009)
Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50279086
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=O)C(C)(C)N1C |t:25| Show InChI InChI=1S/C23H21Cl3N4O/c1-5-16-19(21-27-22(31)23(2,3)29(21)4)28-30(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 12.9 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells |
J Med Chem 52: 4496-510 (2009)
Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4 |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320110
((2S,4S)-4-fluoro-1-(2-(2-methyl-4-morpholino-4-oxo...)Show SMILES CC(C)(CC(=O)N1CCOCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C16H25FN4O3/c1-16(2,8-14(22)20-3-5-24-6-4-20)19-10-15(23)21-11-12(17)7-13(21)9-18/h12-13,19H,3-8,10-11H2,1-2H3/t12-,13-/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 |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 in presence of 50% human serum |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 13.2 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells |
J Med Chem 52: 4496-510 (2009)
Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4 |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320113
((2S,4S)-4-fluoro-1-(2-(2-methyl-4-oxo-4-(piperidin...)Show SMILES CC(C)(CC(=O)N1CCCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C17H27FN4O2/c1-17(2,9-15(23)21-6-4-3-5-7-21)20-11-16(24)22-12-13(18)8-14(22)10-19/h13-14,20H,3-9,11-12H2,1-2H3/t13-,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 |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 in presence of 50% human serum |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320110
((2S,4S)-4-fluoro-1-(2-(2-methyl-4-morpholino-4-oxo...)Show SMILES CC(C)(CC(=O)N1CCOCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C16H25FN4O3/c1-16(2,8-14(22)20-3-5-24-6-4-20)19-10-15(23)21-11-12(17)7-13(21)9-18/h12-13,19H,3-8,10-11H2,1-2H3/t12-,13-/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 |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 in presence of 50% rat serum |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50279204
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC2(CCCC2)C(=O)N1 |t:25| Show InChI InChI=1S/C24H21Cl3N4O/c1-2-17-20(22-28-23(32)24(29-22)11-3-4-12-24)30-31(19-10-9-16(26)13-18(19)27)21(17)14-5-7-15(25)8-6-14/h5-10,13H,2-4,11-12H2,1H3,(H,28,29,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14.6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells |
J Med Chem 52: 4496-510 (2009)
Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4 |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320123
(CHEMBL1082996 | trans-N-(2-(3-chlorophenyl)cyclopr...)Show SMILES CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1)CC(=O)N1C[C@@H](F)C[C@H]1C#C |r| Show InChI InChI=1S/C22H26ClFN2O2/c1-4-17-9-16(24)13-26(17)21(28)12-22(2,3)11-20(27)25-19-10-18(19)14-6-5-7-15(23)8-14/h1,5-8,16-19H,9-13H2,2-3H3,(H,25,27)/t16-,17+,18+,19-/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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320120
((2S,4S)-4-fluoro-1-(2-(2-methyl-4-oxo-4-(pyrrolidi...)Show SMILES CC(C)(CC(=O)N1CCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C16H25FN4O2/c1-16(2,8-14(22)20-5-3-4-6-20)19-10-15(23)21-11-12(17)7-13(21)9-18/h12-13,19H,3-8,10-11H2,1-2H3/t12-,13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320109
((2S,4S)-4-fluoro-1-(2-(2-methyl-4-(4-(methylsulfon...)Show SMILES CC(C)(CC(=O)N1CCN(CC1)S(C)(=O)=O)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C17H28FN5O4S/c1-17(2,20-11-16(25)23-12-13(18)8-14(23)10-19)9-15(24)21-4-6-22(7-5-21)28(3,26)27/h13-14,20H,4-9,11-12H2,1-3H3/t13-,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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 in presence of 50% human serum |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11719
((2S)-1-(2-{[4-(2,3-dihydro-1H-isoindol-2-yl)-2-met...)Show SMILES CC(C)(CC(=O)N1Cc2ccccc2C1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C20H26N4O2/c1-20(2,22-12-19(26)24-9-5-8-17(24)11-21)10-18(25)23-13-15-6-3-4-7-16(15)14-23/h3-4,6-7,17,22H,5,8-10,12-14H2,1-2H3/t17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50279125
(2-[1-(2,4-Dichloro-phenyl)-4-methyl-5-(4-trifluoro...)Show SMILES CN1C(=NC(=O)C1(C)C)c1nn(c(c1C)-c1ccc(cc1)C(F)(F)F)-c1ccc(Cl)cc1Cl |c:2| Show InChI InChI=1S/C23H19Cl2F3N4O/c1-12-18(20-29-21(33)22(2,3)31(20)4)30-32(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(8-6-13)23(26,27)28/h5-11H,1-4H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 15.9 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells |
J Med Chem 52: 4496-510 (2009)
Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4 |
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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 in presence of 50% human serum |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50279123
(2-[5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-et...)Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=O)C(C)(C)N1C |t:25| Show InChI InChI=1S/C23H21BrCl2N4O/c1-5-16-19(21-27-22(31)23(2,3)29(21)4)28-30(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 16.3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells |
J Med Chem 52: 4496-510 (2009)
Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4 |
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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 in presence of 50% human serum |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11162
((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...)Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 in presence of 50% human serum |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320112
((2S,4S)-1-(2-(4-(3,4-dihydropyridin-1(2H)-yl)-2-me...)Show SMILES CC(C)(CC(=O)N1CCC=CC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r,c:9| Show InChI InChI=1S/C17H25FN4O2/c1-17(2,9-15(23)21-6-4-3-5-7-21)20-11-16(24)22-12-13(18)8-14(22)10-19/h3-4,13-14,20H,5-9,11-12H2,1-2H3/t13-,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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320124
(3-(2-((2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl)-2-o...)Show SMILES COc1ccc(NC(=O)CC(C)(C)NCC(=O)N2C[C@@H](F)C[C@H]2C#N)nc1 |r| Show InChI InChI=1S/C18H24FN5O3/c1-18(2,7-16(25)23-15-5-4-14(27-3)9-21-15)22-10-17(26)24-11-12(19)6-13(24)8-20/h4-5,9,12-13,22H,6-7,10-11H2,1-3H3,(H,21,23,25)/t12-,13-/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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 in presence of 50% human serum |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320124
(3-(2-((2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl)-2-o...)Show SMILES COc1ccc(NC(=O)CC(C)(C)NCC(=O)N2C[C@@H](F)C[C@H]2C#N)nc1 |r| Show InChI InChI=1S/C18H24FN5O3/c1-18(2,7-16(25)23-15-5-4-14(27-3)9-21-15)22-10-17(26)24-11-12(19)6-13(24)8-20/h4-5,9,12-13,22H,6-7,10-11H2,1-3H3,(H,21,23,25)/t12-,13-/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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320125
(3-(2-((2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl)-2-o...)Show SMILES CC(C)(CC(=O)Nc1ccccn1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C17H22FN5O2/c1-17(2,8-15(24)22-14-5-3-4-6-20-14)21-10-16(25)23-11-12(18)7-13(23)9-19/h3-6,12-13,21H,7-8,10-11H2,1-2H3,(H,20,22,24)/t12-,13-/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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320125
(3-(2-((2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl)-2-o...)Show SMILES CC(C)(CC(=O)Nc1ccccn1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C17H22FN5O2/c1-17(2,8-15(24)22-14-5-3-4-6-20-14)21-10-16(25)23-11-12(18)7-13(23)9-19/h3-6,12-13,21H,7-8,10-11H2,1-2H3,(H,20,22,24)/t12-,13-/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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 in presence of 50% human serum |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320110
((2S,4S)-4-fluoro-1-(2-(2-methyl-4-morpholino-4-oxo...)Show SMILES CC(C)(CC(=O)N1CCOCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C16H25FN4O3/c1-16(2,8-14(22)20-3-5-24-6-4-20)19-10-15(23)21-11-12(17)7-13(21)9-18/h12-13,19H,3-8,10-11H2,1-2H3/t12-,13-/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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320119
((2S,4S)-4-fluoro-1-(2-(4-((R)-3-hydroxypyrrolidin-...)Show SMILES CC(C)(CC(=O)N1CC[C@@H](O)C1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C16H25FN4O3/c1-16(2,6-14(23)20-4-3-13(22)10-20)19-8-15(24)21-9-11(17)5-12(21)7-18/h11-13,19,22H,3-6,8-10H2,1-2H3/t11-,12-,13+/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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 in presence of 50% human serum |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50279203
(6-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC2(CCC2)C(=O)N1 |t:25| Show InChI InChI=1S/C23H19Cl3N4O/c1-2-16-19(21-27-22(31)23(28-21)10-3-11-23)29-30(18-9-8-15(25)12-17(18)26)20(16)13-4-6-14(24)7-5-13/h4-9,12H,2-3,10-11H2,1H3,(H,27,28,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22.8 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells |
J Med Chem 52: 4496-510 (2009)
Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4 |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320119
((2S,4S)-4-fluoro-1-(2-(4-((R)-3-hydroxypyrrolidin-...)Show SMILES CC(C)(CC(=O)N1CC[C@@H](O)C1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C16H25FN4O3/c1-16(2,6-14(23)20-4-3-13(22)10-20)19-8-15(24)21-9-11(17)5-12(21)7-18/h11-13,19,22H,3-6,8-10H2,1-2H3/t11-,12-,13+/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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 in presence of 50% human serum |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320125
(3-(2-((2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl)-2-o...)Show SMILES CC(C)(CC(=O)Nc1ccccn1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C17H22FN5O2/c1-17(2,8-15(24)22-14-5-3-4-6-20-14)21-10-16(25)23-11-12(18)7-13(23)9-19/h3-6,12-13,21H,7-8,10-11H2,1-2H3,(H,20,22,24)/t12-,13-/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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 in presence of 50% rat serum |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320109
((2S,4S)-4-fluoro-1-(2-(2-methyl-4-(4-(methylsulfon...)Show SMILES CC(C)(CC(=O)N1CCN(CC1)S(C)(=O)=O)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C17H28FN5O4S/c1-17(2,20-11-16(25)23-12-13(18)8-14(23)10-19)9-15(24)21-4-6-22(7-5-21)28(3,26)27/h13-14,20H,4-9,11-12H2,1-3H3/t13-,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 |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320116
((2S,4S)-4-fluoro-1-(2-(4-((S)-2-(hydroxymethyl)pyr...)Show SMILES CC(C)(CC(=O)N1CCC[C@H]1CO)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C17H27FN4O3/c1-17(2,7-15(24)21-5-3-4-13(21)11-23)20-9-16(25)22-10-12(18)6-14(22)8-19/h12-14,20,23H,3-7,9-11H2,1-2H3/t12-,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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320111
((2S,4S)-4-fluoro-1-(2-(2-methyl-4-oxo-4-(4-oxopipe...)Show SMILES CC(C)(CC(=O)N1CCC(=O)CC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C17H25FN4O3/c1-17(2,8-15(24)21-5-3-14(23)4-6-21)20-10-16(25)22-11-12(18)7-13(22)9-19/h12-13,20H,3-8,10-11H2,1-2H3/t12-,13-/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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320126
(3-(2-((2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl)-2-o...)Show SMILES COc1ccc(NC(=O)CC(C)(C)NCC(=O)N2C[C@@H](F)C[C@H]2C#N)cc1OC |r| Show InChI InChI=1S/C20H27FN4O4/c1-20(2,23-11-19(27)25-12-13(21)7-15(25)10-22)9-18(26)24-14-5-6-16(28-3)17(8-14)29-4/h5-6,8,13,15,23H,7,9,11-12H2,1-4H3,(H,24,26)/t13-,15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320113
((2S,4S)-4-fluoro-1-(2-(2-methyl-4-oxo-4-(piperidin...)Show SMILES CC(C)(CC(=O)N1CCCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C17H27FN4O2/c1-17(2,9-15(23)21-6-4-3-5-7-21)20-11-16(24)22-12-13(18)8-14(22)10-19/h13-14,20H,3-9,11-12H2,1-2H3/t13-,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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320114
((2S,4S)-4-fluoro-1-(2-(2-methyl-4-oxo-4-(thiazolid...)Show SMILES CC(C)(CC(=O)N1CCSC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C15H23FN4O2S/c1-15(2,6-13(21)19-3-4-23-10-19)18-8-14(22)20-9-11(16)5-12(20)7-17/h11-12,18H,3-6,8-10H2,1-2H3/t11-,12-/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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320104
(3-(2-((2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl)-2-o...)Show SMILES CC(C)(CC(=O)NC1CCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C17H27FN4O2/c1-17(2,8-15(23)21-13-5-3-4-6-13)20-10-16(24)22-11-12(18)7-14(22)9-19/h12-14,20H,3-8,10-11H2,1-2H3,(H,21,23)/t12-,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 | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320119
((2S,4S)-4-fluoro-1-(2-(4-((R)-3-hydroxypyrrolidin-...)Show SMILES CC(C)(CC(=O)N1CC[C@@H](O)C1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C16H25FN4O3/c1-16(2,6-14(23)20-4-3-13(22)10-20)19-8-15(24)21-9-11(17)5-12(21)7-18/h11-13,19,22H,3-6,8-10H2,1-2H3/t11-,12-,13+/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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11162
((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...)Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320115
((2S,4S)-4-fluoro-1-(2-(2-methyl-4-((R)-2-methylpyr...)Show SMILES C[C@@H]1CCCN1C(=O)CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C17H27FN4O2/c1-12-5-4-6-21(12)15(23)8-17(2,3)20-10-16(24)22-11-13(18)7-14(22)9-19/h12-14,20H,4-8,10-11H2,1-3H3/t12-,13+,14+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50279202
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(C)(C)C(=O)N1 |t:25| Show InChI InChI=1S/C22H19Cl3N4O/c1-4-15-18(20-26-21(30)22(2,3)27-20)28-29(17-10-9-14(24)11-16(17)25)19(15)12-5-7-13(23)8-6-12/h5-11H,4H2,1-3H3,(H,26,27,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 32.6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells |
J Med Chem 52: 4496-510 (2009)
Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50279239
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...)Show SMILES CN1C(=NC(C)(C)C1=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:2| Show InChI InChI=1S/C22H19Cl3N4O/c1-12-18(20-26-22(2,3)21(30)28(20)4)27-29(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 33.6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells |
J Med Chem 52: 4496-510 (2009)
Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50279240
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(C)(C)C(=O)N1C |t:25| Show InChI InChI=1S/C23H21Cl3N4O/c1-5-16-19(21-27-23(2,3)22(31)29(21)4)28-30(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 33.8 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells |
J Med Chem 52: 4496-510 (2009)
Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4 |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320117
((2S,4S)-4-fluoro-1-(2-(4-((R)-3-fluoropyrrolidin-1...)Show SMILES CC(C)(CC(=O)N1CC[C@@H](F)C1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C16H24F2N4O2/c1-16(2,6-14(23)21-4-3-11(17)9-21)20-8-15(24)22-10-12(18)5-13(22)7-19/h11-13,20H,3-6,8-10H2,1-2H3/t11-,12+,13+/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 | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50279167
(2-[4-Bromo-5-(4-chloro-phenyl)-1-(2,4-dichloro-phe...)Show SMILES CN1C(=NC(=O)C1(C)C)c1nn(c(c1Br)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:2| Show InChI InChI=1S/C21H16BrCl3N4O/c1-21(2)20(30)26-19(28(21)3)17-16(22)18(11-4-6-12(23)7-5-11)29(27-17)15-9-8-13(24)10-14(15)25/h4-10H,1-3H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 42.5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells |
J Med Chem 52: 4496-510 (2009)
Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50279168
(2-[5-(4-Chloro-phenyl)-4-cyclopropyl-1-(2,4-dichlo...)Show SMILES CN1C(=NC(=O)C1(C)C)c1nn(c(c1C1CC1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:2| Show InChI InChI=1S/C24H21Cl3N4O/c1-24(2)23(32)28-22(30(24)3)20-19(13-4-5-13)21(14-6-8-15(25)9-7-14)31(29-20)18-11-10-16(26)12-17(18)27/h6-13H,4-5H2,1-3H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 43.9 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells |
J Med Chem 52: 4496-510 (2009)
Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4 |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11162
((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...)Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 in presence of 50% human serum |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50279087
(2-[5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-me...)Show SMILES CN1C(=NC(=O)C1(C)C)c1nn(c(c1C)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl |c:2| Show InChI InChI=1S/C22H19BrCl2N4O/c1-12-18(20-26-21(30)22(2,3)28(20)4)27-29(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 47.4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells |
J Med Chem 52: 4496-510 (2009)
Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4 |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50320118
((2S,4S)-4-fluoro-1-(2-(4-((S)-3-hydroxypyrrolidin-...)Show SMILES CC(C)(CC(=O)N1CC[C@H](O)C1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C16H25FN4O3/c1-16(2,6-14(23)20-4-3-13(22)10-20)19-8-15(24)21-9-11(17)5-12(21)7-18/h11-13,19,22H,3-6,8-10H2,1-2H3/t11-,12-,13-/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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 20: 3596-600 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W |
More data for this Ligand-Target Pair | |