Found 12 hits of ic50 for monomerid = 50359366 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)) | BDBM50359366
(CHEMBL1929387 | CHEMBL1929396)Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1 | PDB
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PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00206j
BindingDB Entry DOI: 10.7270/Q2PC36F2 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50359366
(CHEMBL1929387 | CHEMBL1929396)Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1 | PDB
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| PDB
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PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP-4 using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f... |
Bioorg Med Chem 19: 7221-7 (2011)
Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50359366
(CHEMBL1929387 | CHEMBL1929396)Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1 | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP-9 expressed in Sf9 cells using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition meas... |
Bioorg Med Chem 19: 7221-7 (2011)
Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50359366
(CHEMBL1929387 | CHEMBL1929396)Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1 | PDB
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| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP-8 expressed in Sf9 cells using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition meas... |
Bioorg Med Chem 19: 7221-7 (2011)
Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50359366
(CHEMBL1929387 | CHEMBL1929396)Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem 19: 7221-7 (2011)
Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50359366
(CHEMBL1929387 | CHEMBL1929396)Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem 19: 7221-7 (2011)
Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50359366
(CHEMBL1929387 | CHEMBL1929396)Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem 19: 7221-7 (2011)
Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50359366
(CHEMBL1929387 | CHEMBL1929396)Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem 19: 7221-7 (2011)
Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50359366
(CHEMBL1929387 | CHEMBL1929396)Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 19: 7221-7 (2011)
Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM50359366
(CHEMBL1929387 | CHEMBL1929396)Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1 | PDB
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| n/a | n/a | 7.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant FAP expressed in baculovirus-infected Sf9 insect cells using H-Ala-Pro-AFC as substrate after 60 mins by fluorescence... |
Bioorg Med Chem 19: 7221-7 (2011)
Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM50359366
(CHEMBL1929387 | CHEMBL1929396)Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1 | PDB
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| n/a | n/a | 1.77E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP-2 expressed in human Caco-2 cells using H-Lys-Ala-AMC as substrate preincubated for 30 mins before substrate addition measured afte... |
Bioorg Med Chem 19: 7221-7 (2011)
Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50359366
(CHEMBL1929387 | CHEMBL1929396)Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1 | PDB
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| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells by patch clamp assay |
Bioorg Med Chem 19: 7221-7 (2011)
Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX |
More data for this
Ligand-Target Pair | |
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