Found 163 hits with Last Name = 'webb' and Initial = 'dr' 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 |
|---|
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50051653
((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)Show SMILES C[C@@H](Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H22N4/c1-14-15(2)23-21-19(14)22(24-16(3)17-10-6-4-7-11-17)26-20(25-21)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25,26)/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cadus Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description
Binding affinity towards rat A1 receptor was determined |
Bioorg Med Chem Lett 9: 2413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2PR7V5N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
Reactome pathway
KEGG
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CHEMBL
KEGG
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| PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cadus Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against binding of the [3H]-CGS-21,680 to human A2a receptor (hA2a) radioligands using competition binding assay |
Bioorg Med Chem Lett 9: 2413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2PR7V5N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50080288
(CHEMBL81616 | N-[2-(5,6-Dimethyl-2-phenyl-7H-pyrro...)Show SMILES CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1 Show InChI InChI=1S/C18H21N5O/c1-11-12(2)21-18-15(11)17(20-10-9-19-13(3)24)22-16(23-18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,24)(H2,20,21,22,23) | PDB
Reactome pathway
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cadus Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay |
Bioorg Med Chem Lett 9: 2413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2PR7V5N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50080288
(CHEMBL81616 | N-[2-(5,6-Dimethyl-2-phenyl-7H-pyrro...)Show SMILES CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1 Show InChI InChI=1S/C18H21N5O/c1-11-12(2)21-18-15(11)17(20-10-9-19-13(3)24)22-16(23-18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,24)(H2,20,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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antibodypedia
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CHEMBL
PC cid
PC sid
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cadus Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against binding of the [3H]-CGS-21,680 to human A2a receptor (hA2a) radioligands using competition binding assay |
Bioorg Med Chem Lett 9: 2413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2PR7V5N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50080292
(4-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidi...)Show SMILES Cc1[nH]c2nc(nc(N[C@H]3CC[C@H](O)CC3)c2c1C)-c1ccccc1 |wU:9.8,wD:12.12,(7.76,-9.44,;6.22,-9.46,;5.3,-10.73,;3.85,-10.24,;2.5,-11.04,;1.17,-10.27,;1.17,-8.73,;2.5,-7.93,;2.48,-6.39,;1.15,-5.65,;-.16,-6.42,;-1.5,-5.65,;-1.5,-4.11,;-2.84,-3.34,;-.16,-3.34,;1.17,-4.09,;3.83,-8.7,;5.3,-8.22,;5.75,-6.75,;-.16,-11.04,;-.15,-12.55,;-1.5,-13.32,;-2.82,-12.55,;-2.82,-11.01,;-1.5,-10.24,)| Show InChI InChI=1S/C20H24N4O/c1-12-13(2)21-19-17(12)20(22-15-8-10-16(25)11-9-15)24-18(23-19)14-6-4-3-5-7-14/h3-7,15-16,25H,8-11H2,1-2H3,(H2,21,22,23,24)/t15-,16- | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cadus Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay |
Bioorg Med Chem Lett 9: 2413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2PR7V5N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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antibodypedia
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| Purchase
CHEMBL
KEGG
PC cid
PC sid
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| PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cadus Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against binding of [3H]-DPCPX to human A1 receptor (hA1) using competition binding assay |
Bioorg Med Chem Lett 9: 2413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2PR7V5N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50080291
((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)Show InChI InChI=1S/C20H19N5/c1-13-14(2)23-20-17(13)19(22-12-15-8-10-21-11-9-15)24-18(25-20)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,22,23,24,25) | PDB
Reactome pathway
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PC cid
PC sid
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| 132 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cadus Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay |
Bioorg Med Chem Lett 9: 2413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2PR7V5N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50080287
(1-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrim...)Show SMILES Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1 Show InChI InChI=1S/C19H22N6O/c1-12-13(2)22-18-15(12)17(20-8-10-25-11-9-21-19(25)26)23-16(24-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,26)(H2,20,22,23,24) | PDB
Reactome pathway
KEGG
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PC sid
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| 144 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cadus Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay |
Bioorg Med Chem Lett 9: 2413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2PR7V5N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50080287
(1-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrim...)Show SMILES Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1 Show InChI InChI=1S/C19H22N6O/c1-12-13(2)22-18-15(12)17(20-8-10-25-11-9-21-19(25)26)23-16(24-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,26)(H2,20,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
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| PubMed
| 215 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cadus Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against binding of [3H]-DPCPX to human A1 receptor (hA1) using competition binding assay |
Bioorg Med Chem Lett 9: 2413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2PR7V5N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50080292
(4-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidi...)Show SMILES Cc1[nH]c2nc(nc(N[C@H]3CC[C@H](O)CC3)c2c1C)-c1ccccc1 |wU:9.8,wD:12.12,(7.76,-9.44,;6.22,-9.46,;5.3,-10.73,;3.85,-10.24,;2.5,-11.04,;1.17,-10.27,;1.17,-8.73,;2.5,-7.93,;2.48,-6.39,;1.15,-5.65,;-.16,-6.42,;-1.5,-5.65,;-1.5,-4.11,;-2.84,-3.34,;-.16,-3.34,;1.17,-4.09,;3.83,-8.7,;5.3,-8.22,;5.75,-6.75,;-.16,-11.04,;-.15,-12.55,;-1.5,-13.32,;-2.82,-12.55,;-2.82,-11.01,;-1.5,-10.24,)| Show InChI InChI=1S/C20H24N4O/c1-12-13(2)21-19-17(12)20(22-15-8-10-16(25)11-9-15)24-18(23-19)14-6-4-3-5-7-14/h3-7,15-16,25H,8-11H2,1-2H3,(H2,21,22,23,24)/t15-,16- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 754 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cadus Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against binding of [3H]-CGS-21,680 to human A2a receptor (hA2a) using competition binding assay |
Bioorg Med Chem Lett 9: 2413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2PR7V5N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50080289
((R)-3-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...)Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1 Show InChI InChI=1S/C20H23N5O/c1-12-13(2)22-18-16(12)19(23-15-10-6-7-11-21-20(15)26)25-17(24-18)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,26)(H2,22,23,24,25)/t15-/m1/s1 | PDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
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| 771 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cadus Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against membranes from yeast cells transformed with human A1 receptor (hA1) |
Bioorg Med Chem Lett 9: 2413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2PR7V5N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50080291
((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)Show InChI InChI=1S/C20H19N5/c1-13-14(2)23-20-17(13)19(22-12-15-8-10-21-11-9-15)24-18(25-20)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 811 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cadus Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against binding of the [3H]-CGS-21,680 to human A2a receptor (hA2a) radioligands using competition binding assay |
Bioorg Med Chem Lett 9: 2413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2PR7V5N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50080290
((1R,2R)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]...)Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3Cc4ccccc4[C@H]3O)c2c1C)-c1ccccc1 Show InChI InChI=1S/C23H22N4O/c1-13-14(2)24-22-19(13)23(27-21(26-22)15-8-4-3-5-9-15)25-18-12-16-10-6-7-11-17(16)20(18)28/h3-11,18,20,28H,12H2,1-2H3,(H2,24,25,26,27)/t18-,20-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 896 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cadus Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay |
Bioorg Med Chem Lett 9: 2413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2PR7V5N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50080286
((S)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...)Show SMILES CC(C)C[C@@H](CO)Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1 Show InChI InChI=1S/C20H26N4O/c1-12(2)10-16(11-25)22-20-17-13(3)14(4)21-19(17)23-18(24-20)15-8-6-5-7-9-15/h5-9,12,16,25H,10-11H2,1-4H3,(H2,21,22,23,24)/t16-/m0/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 951 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cadus Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay |
Bioorg Med Chem Lett 9: 2413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2PR7V5N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50080289
((R)-3-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...)Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1 Show InChI InChI=1S/C20H23N5O/c1-12-13(2)22-18-16(12)19(23-15-10-6-7-11-21-20(15)26)25-17(24-18)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,26)(H2,22,23,24,25)/t15-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 962 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cadus Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against binding of [3H]-DPCPX to human A1 receptor (hA1) using competition binding assay |
Bioorg Med Chem Lett 9: 2413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2PR7V5N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50051653
((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)Show SMILES C[C@@H](Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H22N4/c1-14-15(2)23-21-19(14)22(24-16(3)17-10-6-4-7-11-17)26-20(25-21)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25,26)/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 981 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cadus Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against binding of [3H]-DPCPX to human A1 receptor (hA1) using competition binding assay |
Bioorg Med Chem Lett 9: 2413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2PR7V5N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50080286
((S)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...)Show SMILES CC(C)C[C@@H](CO)Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1 Show InChI InChI=1S/C20H26N4O/c1-12(2)10-16(11-25)22-20-17-13(3)14(4)21-19(17)23-18(24-20)15-8-6-5-7-9-15/h5-9,12,16,25H,10-11H2,1-4H3,(H2,21,22,23,24)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cadus Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against binding of [3H]-DPCPX to human A1 receptor (hA1) using competition binding assay |
Bioorg Med Chem Lett 9: 2413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2PR7V5N |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50335797
(2-[2-(3-(R)-Aminopyrimidin-1-yl)-5-bromo-6-oxo-6H-...)Show SMILES N[C@@H]1CCCN(C1)c1ncc(Br)c(=O)n1Cc1sccc1C#N |r| Show InChI InChI=1S/C15H16BrN5OS/c16-12-7-19-15(20-4-1-2-11(18)8-20)21(14(12)22)9-13-10(6-17)3-5-23-13/h3,5,7,11H,1-2,4,8-9,18H2/t11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
J Med Chem 54: 510-24 (2011)
Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM16274
(2-({2-[(3R)-3-aminopiperidin-1-yl]-6-fluoro-4-oxo-...)Show SMILES N[C@@H]1CCCN(C1)c1nc2ccc(F)cc2c(=O)n1Cc1ccccc1C#N |r| Show InChI InChI=1S/C21H20FN5O/c22-16-7-8-19-18(10-16)20(28)27(12-15-5-2-1-4-14(15)11-23)21(25-19)26-9-3-6-17(24)13-26/h1-2,4-5,7-8,10,17H,3,6,9,12-13,24H2/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Takeda Pharmaceutical Company Ltd.
| Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay.... |
J Med Chem 50: 2297-300 (2007)
Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50335768
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-methoxy-6-oxo-6...)Show SMILES COc1cnc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O |r| Show InChI InChI=1S/C18H21N5O2/c1-25-16-10-21-18(22-8-4-7-15(20)12-22)23(17(16)24)11-14-6-3-2-5-13(14)9-19/h2-3,5-6,10,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
J Med Chem 54: 510-24 (2011)
Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50335784
(2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,...)Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O |r| Show InChI InChI=1S/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
J Med Chem 54: 510-24 (2011)
Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM16281
(2-({2-[(3R)-3-aminopiperidin-1-yl]-7-fluoro-6-meth...)Show SMILES COc1cc2c(cc1F)nc(N1CCC[C@@H](N)C1)n(Cc1ccccc1C#N)c2=O |r| Show InChI InChI=1S/C22H22FN5O2/c1-30-20-9-17-19(10-18(20)23)26-22(27-8-4-7-16(25)13-27)28(21(17)29)12-15-6-3-2-5-14(15)11-24/h2-3,5-6,9-10,16H,4,7-8,12-13,25H2,1H3/t16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Takeda Pharmaceutical Company Ltd.
| Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay.... |
J Med Chem 50: 2297-300 (2007)
Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50335792
(2-{6-[3(R)-Aminopiperidin-1-yl]-2,4-dioxo-3,4-dihy...)Show SMILES N[C@@H]1CCCN(C1)c1cc(=O)[nH]c(=O)n1Cc1ccccc1C#N |r| Show InChI InChI=1S/C17H19N5O2/c18-9-12-4-1-2-5-13(12)10-22-16(8-15(23)20-17(22)24)21-7-3-6-14(19)11-21/h1-2,4-5,8,14H,3,6-7,10-11,19H2,(H,20,23,24)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
J Med Chem 54: 510-24 (2011)
Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50335759
(2-[2-(3-(R)-Aminopiperidin-1-yl)-6-oxo-5-(1H-pyrro...)Show SMILES N[C@@H]1CCCN(C1)c1ncc(-c2cc[nH]c2)c(=O)n1Cc1ccccc1C#N |r| Show InChI InChI=1S/C21H22N6O/c22-10-15-4-1-2-5-17(15)13-27-20(28)19(16-7-8-24-11-16)12-25-21(27)26-9-3-6-18(23)14-26/h1-2,4-5,7-8,11-12,18,24H,3,6,9,13-14,23H2/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
J Med Chem 54: 510-24 (2011)
Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50335756
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-prop-1-ynyl-6-o...)Show SMILES CC#Cc1cnc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O |r| Show InChI InChI=1S/C20H21N5O/c1-2-6-16-12-23-20(24-10-5-9-18(22)14-24)25(19(16)26)13-17-8-4-3-7-15(17)11-21/h3-4,7-8,12,18H,5,9-10,13-14,22H2,1H3/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
J Med Chem 54: 510-24 (2011)
Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM16273
(2-({2-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-4-oxo-...)Show SMILES N[C@@H]1CCCN(C1)c1nc2cccc(F)c2c(=O)n1Cc1ccccc1C#N |r| Show InChI InChI=1S/C21H20FN5O/c22-17-8-3-9-18-19(17)20(28)27(12-15-6-2-1-5-14(15)11-23)21(25-18)26-10-4-7-16(24)13-26/h1-3,5-6,8-9,16H,4,7,10,12-13,24H2/t16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Takeda Pharmaceutical Company Ltd.
| Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay.... |
J Med Chem 50: 2297-300 (2007)
Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM16275
(2-({2-[(3R)-3-aminopiperidin-1-yl]-6-chloro-4-oxo-...)Show SMILES N[C@@H]1CCCN(C1)c1nc2ccc(Cl)cc2c(=O)n1Cc1ccccc1C#N |r| Show InChI InChI=1S/C21H20ClN5O/c22-16-7-8-19-18(10-16)20(28)27(12-15-5-2-1-4-14(15)11-23)21(25-19)26-9-3-6-17(24)13-26/h1-2,4-5,7-8,10,17H,3,6,9,12-13,24H2/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Takeda Pharmaceutical Company Ltd.
| Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay.... |
J Med Chem 50: 2297-300 (2007)
Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM16279
(2-({2-[(3R)-3-aminopiperidin-1-yl]-6-bromo-4-oxo-3...)Show SMILES N[C@@H]1CCCN(C1)c1nc2ccc(Br)cc2c(=O)n1Cc1ccccc1C#N |r| Show InChI InChI=1S/C21H20BrN5O/c22-16-7-8-19-18(10-16)20(28)27(12-15-5-2-1-4-14(15)11-23)21(25-19)26-9-3-6-17(24)13-26/h1-2,4-5,7-8,10,17H,3,6,9,12-13,24H2/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Takeda Pharmaceutical Company Ltd.
| Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay.... |
J Med Chem 50: 2297-300 (2007)
Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50335757
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-ethynyl-6-oxo-6...)Show SMILES N[C@@H]1CCCN(C1)c1ncc(C#C)c(=O)n1Cc1ccccc1C#N |r| Show InChI InChI=1S/C19H19N5O/c1-2-14-11-22-19(23-9-5-8-17(21)13-23)24(18(14)25)12-16-7-4-3-6-15(16)10-20/h1,3-4,6-7,11,17H,5,8-9,12-13,21H2/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
J Med Chem 54: 510-24 (2011)
Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50335774
(2-((2-(3-(R)-Aminopiperidin-1-yl)-5-bromo-6-oxopyr...)Show SMILES N[C@@H]1CCCN(C1)c1ncc(Br)c(=O)n1Cc1ccccc1C#N |r| Show InChI InChI=1S/C17H18BrN5O/c18-15-9-21-17(22-7-3-6-14(20)11-22)23(16(15)24)10-13-5-2-1-4-12(13)8-19/h1-2,4-5,9,14H,3,6-7,10-11,20H2/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
J Med Chem 54: 510-24 (2011)
Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50335771
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-iodo-6-oxo-6H-p...)Show SMILES N[C@@H]1CCCN(C1)c1ncc(I)c(=O)n1Cc1ccccc1C#N |r| Show InChI InChI=1S/C17H18IN5O/c18-15-9-21-17(22-7-3-6-14(20)11-22)23(16(15)24)10-13-5-2-1-4-12(13)8-19/h1-2,4-5,9,14H,3,6-7,10-11,20H2/t14-/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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
J Med Chem 54: 510-24 (2011)
Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50335798
(2-[2-(3-(R)-Aminopiperidin-1-yl)-6-oxo-5-((E)-2-py...)Show SMILES N[C@@H]1CCCN(C1)c1ncc(\C=C\c2cccnc2)c(=O)n1Cc1ccccc1C#N |r| Show InChI InChI=1S/C24H24N6O/c25-13-19-6-1-2-7-21(19)16-30-23(31)20(10-9-18-5-3-11-27-14-18)15-28-24(30)29-12-4-8-22(26)17-29/h1-3,5-7,9-11,14-15,22H,4,8,12,16-17,26H2/b10-9+/t22-/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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
J Med Chem 54: 510-24 (2011)
Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50335777
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-fluoro-6-oxo-6H...)Show SMILES N[C@@H]1CCCN(C1)c1ncc(F)c(=O)n1Cc1ccccc1C#N |r| Show InChI InChI=1S/C17H18FN5O/c18-15-9-21-17(22-7-3-6-14(20)11-22)23(16(15)24)10-13-5-2-1-4-12(13)8-19/h1-2,4-5,9,14H,3,6-7,10-11,20H2/t14-/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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
J Med Chem 54: 510-24 (2011)
Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50335793
(2-((2-(3-(R)-Aminopiperidin-1-yl)-5-bromo-6-oxopyr...)Show SMILES N[C@@H]1CCCN(C1)c1ncc(Br)c(=O)n1Cc1cc(F)ccc1C#N |r| Show InChI InChI=1S/C17H17BrFN5O/c18-15-8-22-17(23-5-1-2-14(21)10-23)24(16(15)25)9-12-6-13(19)4-3-11(12)7-20/h3-4,6,8,14H,1-2,5,9-10,21H2/t14-/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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
J Med Chem 54: 510-24 (2011)
Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM16285
(2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...)Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O |r| Show InChI InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
J Med Chem 54: 510-24 (2011)
Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50335775
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-chloro-6-oxo-6H...)Show SMILES N[C@@H]1CCCN(C1)c1ncc(Cl)c(=O)n1Cc1ccccc1C#N |r| Show InChI InChI=1S/C17H18ClN5O/c18-15-9-21-17(22-7-3-6-14(20)11-22)23(16(15)24)10-13-5-2-1-4-12(13)8-19/h1-2,4-5,9,14H,3,6-7,10-11,20H2/t14-/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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
J Med Chem 54: 510-24 (2011)
Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50335787
(6-[3-(R)-Aminopiperidin-1-yl]-1-(2-bromo-5-fluorob...)Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2Br)c1=O |r| Show InChI InChI=1S/C17H20BrFN4O2/c1-21-16(24)8-15(22-6-2-3-13(20)10-22)23(17(21)25)9-11-7-12(19)4-5-14(11)18/h4-5,7-8,13H,2-3,6,9-10,20H2,1H3/t13-/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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
J Med Chem 54: 510-24 (2011)
Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50335773
(2[2-(3-(R)-Aminopiperidin-1-yl)-5-bromo-4-methyl-6...)Show SMILES Cc1nc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c(=O)c1Br |r| Show InChI InChI=1S/C18H20BrN5O/c1-12-16(19)17(25)24(10-14-6-3-2-5-13(14)9-20)18(22-12)23-8-4-7-15(21)11-23/h2-3,5-6,15H,4,7-8,10-11,21H2,1H3/t15-/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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
J Med Chem 54: 510-24 (2011)
Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50335753
(2-[2-(3-(R)-Aminopiperidin-1-yl)-6-oxo-5-vinyl-6H-...)Show SMILES N[C@@H]1CCCN(C1)c1ncc(C=C)c(=O)n1Cc1ccccc1C#N |r| Show InChI InChI=1S/C19H21N5O/c1-2-14-11-22-19(23-9-5-8-17(21)13-23)24(18(14)25)12-16-7-4-3-6-15(16)10-20/h2-4,6-7,11,17H,1,5,8-9,12-13,21H2/t17-/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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
J Med Chem 54: 510-24 (2011)
Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM16280
(2-({2-[(3R)-3-aminopiperidin-1-yl]-6-methoxy-4-oxo...)Show SMILES COc1ccc2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c(=O)c2c1 |r| Show InChI InChI=1S/C22H23N5O2/c1-29-18-8-9-20-19(11-18)21(28)27(13-16-6-3-2-5-15(16)12-23)22(25-20)26-10-4-7-17(24)14-26/h2-3,5-6,8-9,11,17H,4,7,10,13-14,24H2,1H3/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Takeda Pharmaceutical Company Ltd.
| Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay.... |
J Med Chem 50: 2297-300 (2007)
Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50335795
(2-((2-(3-(R)-Aminopiperidin-1-yl)-5-fluoro-6-oxopy...)Show SMILES N[C@@H]1CCCN(C1)c1ncc(F)c(=O)n1Cc1cc(F)ccc1C#N |r| Show InChI InChI=1S/C17H17F2N5O/c18-13-4-3-11(7-20)12(6-13)9-24-16(25)15(19)8-22-17(24)23-5-1-2-14(21)10-23/h3-4,6,8,14H,1-2,5,9-10,21H2/t14-/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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
J Med Chem 54: 510-24 (2011)
Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50335794
(2-((2-(3-(R)-Aminopiperidin-1-yl)-5-chloro-6-oxopy...)Show SMILES N[C@@H]1CCCN(C1)c1ncc(Cl)c(=O)n1Cc1cc(F)ccc1C#N |r| Show InChI InChI=1S/C17H17ClFN5O/c18-15-8-22-17(23-5-1-2-14(21)10-23)24(16(15)25)9-12-6-13(19)4-3-11(12)7-20/h3-4,6,8,14H,1-2,5,9-10,21H2/t14-/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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
J Med Chem 54: 510-24 (2011)
Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM16285
(2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...)Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O |r| Show InChI InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Takeda Pharmaceutical Company Ltd.
| Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay.... |
J Med Chem 50: 2297-300 (2007)
Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50335770
(2-[2-(3-(R)-Aminopiperidin-1-yl)-4,5-dimethyl-6-ox...)Show SMILES Cc1nc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c(=O)c1C |r| Show InChI InChI=1S/C19H23N5O/c1-13-14(2)22-19(23-9-5-8-17(21)12-23)24(18(13)25)11-16-7-4-3-6-15(16)10-20/h3-4,6-7,17H,5,8-9,11-12,21H2,1-2H3/t17-/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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
J Med Chem 54: 510-24 (2011)
Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50335778
(2-((6-(3-(R)-Amino-3-methylpiperidin-1-yl)-3-methy...)Show SMILES Cn1c(=O)cc(N2CCC[C@@](C)(N)C2)n(Cc2cc(F)ccc2C#N)c1=O |r| Show InChI InChI=1S/C19H22FN5O2/c1-19(22)6-3-7-24(12-19)16-9-17(26)23(2)18(27)25(16)11-14-8-15(20)5-4-13(14)10-21/h4-5,8-9H,3,6-7,11-12,22H2,1-2H3/t19-/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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
J Med Chem 54: 510-24 (2011)
Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50335761
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-furan-3-yl-6-ox...)Show SMILES N[C@@H]1CCCN(C1)c1ncc(-c2ccoc2)c(=O)n1Cc1ccccc1C#N |r| Show InChI InChI=1S/C21H21N5O2/c22-10-15-4-1-2-5-16(15)12-26-20(27)19(17-7-9-28-14-17)11-24-21(26)25-8-3-6-18(23)13-25/h1-2,4-5,7,9,11,14,18H,3,6,8,12-13,23H2/t18-/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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
J Med Chem 54: 510-24 (2011)
Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50335788
(6-[3-(R)-Aminopiperidin-1-yl]-1-(2-bromobenzyl)-3-...)Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2Br)c1=O |r| Show InChI InChI=1S/C17H21BrN4O2/c1-20-16(23)9-15(21-8-4-6-13(19)11-21)22(17(20)24)10-12-5-2-3-7-14(12)18/h2-3,5,7,9,13H,4,6,8,10-11,19H2,1H3/t13-/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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
J Med Chem 54: 510-24 (2011)
Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM16272
(2-({2-[(3R)-3-aminopiperidin-1-yl]-4-oxo-3,4-dihyd...)Show SMILES N[C@@H]1CCCN(C1)c1nc2ccccc2c(=O)n1Cc1ccccc1C#N |r| Show InChI InChI=1S/C21H21N5O/c22-12-15-6-1-2-7-16(15)13-26-20(27)18-9-3-4-10-19(18)24-21(26)25-11-5-8-17(23)14-25/h1-4,6-7,9-10,17H,5,8,11,13-14,23H2/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Takeda Pharmaceutical Company Ltd.
| Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay.... |
J Med Chem 50: 2297-300 (2007)
Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM16278
(2-({2-[(3R)-3-aminopiperidin-1-yl]-6,8-dichloro-4-...)Show SMILES N[C@@H]1CCCN(C1)c1nc2c(Cl)cc(Cl)cc2c(=O)n1Cc1ccccc1C#N |r| Show InChI InChI=1S/C21H19Cl2N5O/c22-15-8-17-19(18(23)9-15)26-21(27-7-3-6-16(25)12-27)28(20(17)29)11-14-5-2-1-4-13(14)10-24/h1-2,4-5,8-9,16H,3,6-7,11-12,25H2/t16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Takeda Pharmaceutical Company Ltd.
| Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay.... |
J Med Chem 50: 2297-300 (2007)
Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Cadus Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against human A1 receptor (hA1) on membranes from yeast cells |
Bioorg Med Chem Lett 9: 2413-8 (1999)
BindingDB Entry DOI: 10.7270/Q2PR7V5N |
More data for this
Ligand-Target Pair | |
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