Found 4 hits for monomerid = 50356583 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50356583
(CHEMBL1910125)Show SMILES Cc1nc2C(=O)N(CC(=O)Nc3ccnn3C)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(39.71,-37.55,;38.38,-38.32,;37.04,-37.56,;35.71,-38.33,;34.25,-37.86,;33.78,-36.39,;33.34,-39.1,;31.81,-39.1,;31.04,-40.44,;31.81,-41.77,;29.5,-40.44,;28.73,-41.77,;27.21,-41.94,;26.89,-43.44,;28.22,-44.21,;29.37,-43.18,;30.87,-43.5,;34.25,-40.35,;35.71,-39.87,;37.05,-40.64,;38.38,-39.87,;39.72,-40.64,;41.05,-39.87,;37.05,-42.18,;35.71,-42.95,;35.71,-44.49,;37.04,-45.26,;37.05,-46.8,;38.38,-44.48,;38.38,-42.94,;39.71,-42.17,)| Show InChI InChI=1S/C21H20Cl2N6O2/c1-11-14(8-24)19(13-4-3-12(22)7-16(13)23)15-9-29(21(31)20(15)26-11)10-18(30)27-17-5-6-25-28(17)2/h3-7H,8-10,24H2,1-2H3,(H,27,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074 BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50356583
(CHEMBL1910125)Show SMILES Cc1nc2C(=O)N(CC(=O)Nc3ccnn3C)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(39.71,-37.55,;38.38,-38.32,;37.04,-37.56,;35.71,-38.33,;34.25,-37.86,;33.78,-36.39,;33.34,-39.1,;31.81,-39.1,;31.04,-40.44,;31.81,-41.77,;29.5,-40.44,;28.73,-41.77,;27.21,-41.94,;26.89,-43.44,;28.22,-44.21,;29.37,-43.18,;30.87,-43.5,;34.25,-40.35,;35.71,-39.87,;37.05,-40.64,;38.38,-39.87,;39.72,-40.64,;41.05,-39.87,;37.05,-42.18,;35.71,-42.95,;35.71,-44.49,;37.04,-45.26,;37.05,-46.8,;38.38,-44.48,;38.38,-42.94,;39.71,-42.17,)| Show InChI InChI=1S/C21H20Cl2N6O2/c1-11-14(8-24)19(13-4-3-12(22)7-16(13)23)15-9-29(21(31)20(15)26-11)10-18(30)27-17-5-6-25-28(17)2/h3-7H,8-10,24H2,1-2H3,(H,27,30) | PDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of DPP8 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074 BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50356583
(CHEMBL1910125)Show SMILES Cc1nc2C(=O)N(CC(=O)Nc3ccnn3C)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(39.71,-37.55,;38.38,-38.32,;37.04,-37.56,;35.71,-38.33,;34.25,-37.86,;33.78,-36.39,;33.34,-39.1,;31.81,-39.1,;31.04,-40.44,;31.81,-41.77,;29.5,-40.44,;28.73,-41.77,;27.21,-41.94,;26.89,-43.44,;28.22,-44.21,;29.37,-43.18,;30.87,-43.5,;34.25,-40.35,;35.71,-39.87,;37.05,-40.64,;38.38,-39.87,;39.72,-40.64,;41.05,-39.87,;37.05,-42.18,;35.71,-42.95,;35.71,-44.49,;37.04,-45.26,;37.05,-46.8,;38.38,-44.48,;38.38,-42.94,;39.71,-42.17,)| Show InChI InChI=1S/C21H20Cl2N6O2/c1-11-14(8-24)19(13-4-3-12(22)7-16(13)23)15-9-29(21(31)20(15)26-11)10-18(30)27-17-5-6-25-28(17)2/h3-7H,8-10,24H2,1-2H3,(H,27,30) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 262 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of DPP9 |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074 BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50356583
(CHEMBL1910125)Show SMILES Cc1nc2C(=O)N(CC(=O)Nc3ccnn3C)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(39.71,-37.55,;38.38,-38.32,;37.04,-37.56,;35.71,-38.33,;34.25,-37.86,;33.78,-36.39,;33.34,-39.1,;31.81,-39.1,;31.04,-40.44,;31.81,-41.77,;29.5,-40.44,;28.73,-41.77,;27.21,-41.94,;26.89,-43.44,;28.22,-44.21,;29.37,-43.18,;30.87,-43.5,;34.25,-40.35,;35.71,-39.87,;37.05,-40.64,;38.38,-39.87,;39.72,-40.64,;41.05,-39.87,;37.05,-42.18,;35.71,-42.95,;35.71,-44.49,;37.04,-45.26,;37.05,-46.8,;38.38,-44.48,;38.38,-42.94,;39.71,-42.17,)| Show InChI InChI=1S/C21H20Cl2N6O2/c1-11-14(8-24)19(13-4-3-12(22)7-16(13)23)15-9-29(21(31)20(15)26-11)10-18(30)27-17-5-6-25-28(17)2/h3-7H,8-10,24H2,1-2H3,(H,27,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | >1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 up to 40 uM |
Bioorg Med Chem Lett 21: 6646-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.074 BindingDB Entry DOI: 10.7270/Q28W3DQK |
More data for this Ligand-Target Pair | |