Found 24 hits of Enzyme Inhibition Constant Data 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 9
(Homo sapiens (Human)) | BDBM50447696
(CHEMBL3112968)Show SMILES NC[C@@]1(CC[C@@H](CC1)N1CCc2c(nc(nc2C1=O)C(F)(F)F)C1CC1)c1cccc(Cl)c1 |r,wU:2.29,wD:5.8,(2.86,-13.16,;1.54,-13.95,;1.58,-15.51,;2.88,-14.7,;4.24,-15.45,;4.28,-16.99,;2.96,-17.79,;1.61,-17.05,;5.63,-17.73,;5.65,-19.27,;7,-20.01,;8.32,-19.21,;9.66,-19.95,;10.98,-19.15,;10.94,-17.61,;9.59,-16.87,;8.29,-17.67,;6.93,-16.92,;6.9,-15.38,;12.25,-16.8,;13.6,-17.54,;12.21,-15.26,;13.58,-16.02,;9.69,-21.49,;8.96,-22.83,;10.5,-22.8,;.22,-14.78,;-1.11,-15.59,;-2.46,-14.85,;-2.49,-13.31,;-1.17,-12.51,;-1.21,-10.97,;.18,-13.24,)| Show InChI InChI=1S/C24H26ClF3N4O/c25-16-3-1-2-15(12-16)23(13-29)9-6-17(7-10-23)32-11-8-18-19(14-4-5-14)30-22(24(26,27)28)31-20(18)21(32)33/h1-3,12,14,17H,4-11,13,29H2/t17-,23- | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP9 |
Bioorg Med Chem Lett 24: 731-6 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.118
BindingDB Entry DOI: 10.7270/Q27W6DPZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50447694
(CHEMBL3112967)Show SMILES NC[C@@]1(CC[C@@H](CC1)N1CCn2c(nnc2C(F)(F)F)C1=O)c1cccc(Cl)c1 |r,wU:2.24,wD:5.8,(24.01,-3.43,;22.69,-4.22,;22.72,-5.78,;24.03,-4.97,;25.38,-5.72,;25.42,-7.26,;24.11,-8.06,;22.76,-7.32,;26.77,-8,;26.8,-9.54,;28.14,-10.28,;29.46,-9.48,;29.43,-7.94,;30.88,-7.43,;31.81,-8.66,;30.94,-9.92,;31.44,-11.37,;30.44,-12.54,;32.96,-11.66,;32.21,-12.7,;28.08,-7.19,;28.04,-5.65,;21.37,-5.05,;20.05,-5.86,;18.7,-5.12,;18.66,-3.58,;19.98,-2.78,;19.94,-1.24,;21.33,-3.51,)| Show InChI InChI=1S/C19H21ClF3N5O/c20-13-3-1-2-12(10-13)18(11-24)6-4-14(5-7-18)27-8-9-28-15(16(27)29)25-26-17(28)19(21,22)23/h1-3,10,14H,4-9,11,24H2/t14-,18- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 24: 731-6 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.118
BindingDB Entry DOI: 10.7270/Q27W6DPZ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50447696
(CHEMBL3112968)Show SMILES NC[C@@]1(CC[C@@H](CC1)N1CCc2c(nc(nc2C1=O)C(F)(F)F)C1CC1)c1cccc(Cl)c1 |r,wU:2.29,wD:5.8,(2.86,-13.16,;1.54,-13.95,;1.58,-15.51,;2.88,-14.7,;4.24,-15.45,;4.28,-16.99,;2.96,-17.79,;1.61,-17.05,;5.63,-17.73,;5.65,-19.27,;7,-20.01,;8.32,-19.21,;9.66,-19.95,;10.98,-19.15,;10.94,-17.61,;9.59,-16.87,;8.29,-17.67,;6.93,-16.92,;6.9,-15.38,;12.25,-16.8,;13.6,-17.54,;12.21,-15.26,;13.58,-16.02,;9.69,-21.49,;8.96,-22.83,;10.5,-22.8,;.22,-14.78,;-1.11,-15.59,;-2.46,-14.85,;-2.49,-13.31,;-1.17,-12.51,;-1.21,-10.97,;.18,-13.24,)| Show InChI InChI=1S/C24H26ClF3N4O/c25-16-3-1-2-15(12-16)23(13-29)9-6-17(7-10-23)32-11-8-18-19(14-4-5-14)30-22(24(26,27)28)31-20(18)21(32)33/h1-3,12,14,17H,4-11,13,29H2/t17-,23- | PDB
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| Article
PubMed
| n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP8 |
Bioorg Med Chem Lett 24: 731-6 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.118
BindingDB Entry DOI: 10.7270/Q27W6DPZ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50447695
(CHEMBL3112966)Show SMILES NC[C@@]1(CC[C@@H](CC1)N1CCCCC1=O)c1cccc(Cl)c1 |r,wU:2.16,wD:5.8,(9.26,-3.88,;7.94,-4.67,;7.97,-6.23,;9.28,-5.42,;10.63,-6.16,;10.67,-7.71,;9.36,-8.5,;8.01,-7.77,;12.02,-8.44,;12.05,-9.98,;13.39,-10.72,;14.71,-9.93,;14.68,-8.39,;13.33,-7.64,;13.29,-6.1,;6.62,-5.5,;5.3,-6.31,;3.95,-5.57,;3.91,-4.03,;5.23,-3.23,;5.2,-1.69,;6.58,-3.96,)| Show InChI InChI=1S/C18H25ClN2O/c19-15-5-3-4-14(12-15)18(13-20)9-7-16(8-10-18)21-11-2-1-6-17(21)22/h3-5,12,16H,1-2,6-11,13,20H2/t16-,18- | PDB
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PC cid
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PDB
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| Article
PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP9 |
Bioorg Med Chem Lett 24: 731-6 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.118
BindingDB Entry DOI: 10.7270/Q27W6DPZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50447696
(CHEMBL3112968)Show SMILES NC[C@@]1(CC[C@@H](CC1)N1CCc2c(nc(nc2C1=O)C(F)(F)F)C1CC1)c1cccc(Cl)c1 |r,wU:2.29,wD:5.8,(2.86,-13.16,;1.54,-13.95,;1.58,-15.51,;2.88,-14.7,;4.24,-15.45,;4.28,-16.99,;2.96,-17.79,;1.61,-17.05,;5.63,-17.73,;5.65,-19.27,;7,-20.01,;8.32,-19.21,;9.66,-19.95,;10.98,-19.15,;10.94,-17.61,;9.59,-16.87,;8.29,-17.67,;6.93,-16.92,;6.9,-15.38,;12.25,-16.8,;13.6,-17.54,;12.21,-15.26,;13.58,-16.02,;9.69,-21.49,;8.96,-22.83,;10.5,-22.8,;.22,-14.78,;-1.11,-15.59,;-2.46,-14.85,;-2.49,-13.31,;-1.17,-12.51,;-1.21,-10.97,;.18,-13.24,)| Show InChI InChI=1S/C24H26ClF3N4O/c25-16-3-1-2-15(12-16)23(13-29)9-6-17(7-10-23)32-11-8-18-19(14-4-5-14)30-22(24(26,27)28)31-20(18)21(32)33/h1-3,12,14,17H,4-11,13,29H2/t17-,23- | PDB
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 24: 731-6 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.118
BindingDB Entry DOI: 10.7270/Q27W6DPZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50447699
(CHEMBL3112960)Show SMILES NC[C@@]1(CC[C@@H](CC1)n1nc(ccc1=O)-c1cccnc1)c1cccc(Cl)c1 |r,wU:2.23,wD:5.8,(10.38,-8.66,;9.06,-9.46,;9.09,-11.02,;10.4,-10.21,;11.75,-10.95,;11.79,-12.49,;10.48,-13.29,;9.13,-12.56,;13.14,-13.23,;13.17,-14.77,;14.51,-15.51,;15.83,-14.72,;15.8,-13.18,;14.45,-12.43,;14.41,-10.89,;14.54,-17.05,;13.22,-17.84,;13.25,-19.37,;14.6,-20.12,;15.92,-19.32,;15.88,-17.78,;7.74,-10.29,;6.42,-11.1,;5.07,-10.36,;5.03,-8.82,;6.35,-8.02,;6.32,-6.48,;7.7,-8.75,)| Show InChI InChI=1S/C22H23ClN4O/c23-18-5-1-4-17(13-18)22(15-24)10-8-19(9-11-22)27-21(28)7-6-20(26-27)16-3-2-12-25-14-16/h1-7,12-14,19H,8-11,15,24H2/t19-,22- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 24: 731-6 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.118
BindingDB Entry DOI: 10.7270/Q27W6DPZ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50447695
(CHEMBL3112966)Show SMILES NC[C@@]1(CC[C@@H](CC1)N1CCCCC1=O)c1cccc(Cl)c1 |r,wU:2.16,wD:5.8,(9.26,-3.88,;7.94,-4.67,;7.97,-6.23,;9.28,-5.42,;10.63,-6.16,;10.67,-7.71,;9.36,-8.5,;8.01,-7.77,;12.02,-8.44,;12.05,-9.98,;13.39,-10.72,;14.71,-9.93,;14.68,-8.39,;13.33,-7.64,;13.29,-6.1,;6.62,-5.5,;5.3,-6.31,;3.95,-5.57,;3.91,-4.03,;5.23,-3.23,;5.2,-1.69,;6.58,-3.96,)| Show InChI InChI=1S/C18H25ClN2O/c19-15-5-3-4-14(12-15)18(13-20)9-7-16(8-10-18)21-11-2-1-6-17(21)22/h3-5,12,16H,1-2,6-11,13,20H2/t16-,18- | PDB
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PC cid
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| Article
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| n/a | n/a | 1.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP8 |
Bioorg Med Chem Lett 24: 731-6 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.118
BindingDB Entry DOI: 10.7270/Q27W6DPZ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50447694
(CHEMBL3112967)Show SMILES NC[C@@]1(CC[C@@H](CC1)N1CCn2c(nnc2C(F)(F)F)C1=O)c1cccc(Cl)c1 |r,wU:2.24,wD:5.8,(24.01,-3.43,;22.69,-4.22,;22.72,-5.78,;24.03,-4.97,;25.38,-5.72,;25.42,-7.26,;24.11,-8.06,;22.76,-7.32,;26.77,-8,;26.8,-9.54,;28.14,-10.28,;29.46,-9.48,;29.43,-7.94,;30.88,-7.43,;31.81,-8.66,;30.94,-9.92,;31.44,-11.37,;30.44,-12.54,;32.96,-11.66,;32.21,-12.7,;28.08,-7.19,;28.04,-5.65,;21.37,-5.05,;20.05,-5.86,;18.7,-5.12,;18.66,-3.58,;19.98,-2.78,;19.94,-1.24,;21.33,-3.51,)| Show InChI InChI=1S/C19H21ClF3N5O/c20-13-3-1-2-12(10-13)18(11-24)6-4-14(5-7-18)27-8-9-28-15(16(27)29)25-26-17(28)19(21,22)23/h1-3,10,14H,4-9,11,24H2/t14-,18- | PDB
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| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP9 |
Bioorg Med Chem Lett 24: 731-6 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.118
BindingDB Entry DOI: 10.7270/Q27W6DPZ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50447693
(CHEMBL3112969)Show SMILES NC[C@@]1(CC[C@@H](CC1)N1CCCCC1)c1cccc(Cl)c1 |r,wU:2.15,wD:5.8,(9.26,-3.87,;7.94,-4.67,;7.97,-6.23,;9.28,-5.42,;10.63,-6.16,;10.67,-7.7,;9.35,-8.5,;8.01,-7.77,;12.02,-8.44,;12.05,-9.98,;13.39,-10.72,;14.71,-9.93,;14.68,-8.39,;13.33,-7.64,;6.62,-5.5,;5.3,-6.31,;3.95,-5.57,;3.91,-4.03,;5.23,-3.23,;5.2,-1.69,;6.58,-3.96,)| Show InChI InChI=1S/C18H27ClN2/c19-16-6-4-5-15(13-16)18(14-20)9-7-17(8-10-18)21-11-2-1-3-12-21/h4-6,13,17H,1-3,7-12,14,20H2/t17-,18- | PDB
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AffyNet
| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 1.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP9 |
Bioorg Med Chem Lett 24: 731-6 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.118
BindingDB Entry DOI: 10.7270/Q27W6DPZ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50447693
(CHEMBL3112969)Show SMILES NC[C@@]1(CC[C@@H](CC1)N1CCCCC1)c1cccc(Cl)c1 |r,wU:2.15,wD:5.8,(9.26,-3.87,;7.94,-4.67,;7.97,-6.23,;9.28,-5.42,;10.63,-6.16,;10.67,-7.7,;9.35,-8.5,;8.01,-7.77,;12.02,-8.44,;12.05,-9.98,;13.39,-10.72,;14.71,-9.93,;14.68,-8.39,;13.33,-7.64,;6.62,-5.5,;5.3,-6.31,;3.95,-5.57,;3.91,-4.03,;5.23,-3.23,;5.2,-1.69,;6.58,-3.96,)| Show InChI InChI=1S/C18H27ClN2/c19-16-6-4-5-15(13-16)18(14-20)9-7-17(8-10-18)21-11-2-1-3-12-21/h4-6,13,17H,1-3,7-12,14,20H2/t17-,18- | PDB
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PubMed
| n/a | n/a | 1.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP8 |
Bioorg Med Chem Lett 24: 731-6 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.118
BindingDB Entry DOI: 10.7270/Q27W6DPZ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50447692
(CHEMBL3112957)Show SMILES NC[C@@]1(CC[C@@H](CC1)n1ncccc1=O)c1cccc(Cl)c1 |r,wU:2.16,wD:5.8,(10.38,-8.66,;9.06,-9.46,;9.09,-11.02,;10.4,-10.21,;11.75,-10.95,;11.79,-12.49,;10.47,-13.29,;9.13,-12.56,;13.14,-13.23,;13.17,-14.77,;14.51,-15.51,;15.83,-14.71,;15.8,-13.17,;14.45,-12.43,;14.41,-10.89,;7.74,-10.29,;6.42,-11.1,;5.07,-10.36,;5.03,-8.82,;6.35,-8.02,;6.32,-6.48,;7.7,-8.75,)| Show InChI InChI=1S/C17H20ClN3O/c18-14-4-1-3-13(11-14)17(12-19)8-6-15(7-9-17)21-16(22)5-2-10-20-21/h1-5,10-11,15H,6-9,12,19H2/t15-,17- | PDB
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| Article
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| n/a | n/a | 1.76E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP9 |
Bioorg Med Chem Lett 24: 731-6 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.118
BindingDB Entry DOI: 10.7270/Q27W6DPZ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50447691
(CHEMBL3112959)Show SMILES NC[C@@]1(CC[C@@H](CC1)n1nc(ccc1=O)-c1ccccc1)c1cccc(Cl)c1 |r,wU:2.23,wD:5.8,(10.38,-8.66,;9.06,-9.46,;9.09,-11.02,;10.4,-10.21,;11.75,-10.95,;11.79,-12.49,;10.48,-13.29,;9.13,-12.56,;13.14,-13.23,;13.17,-14.77,;14.51,-15.51,;15.83,-14.72,;15.8,-13.18,;14.45,-12.43,;14.41,-10.89,;14.54,-17.05,;13.22,-17.84,;13.25,-19.37,;14.6,-20.12,;15.92,-19.32,;15.88,-17.78,;7.74,-10.29,;6.42,-11.1,;5.07,-10.36,;5.03,-8.82,;6.35,-8.02,;6.32,-6.48,;7.7,-8.75,)| Show InChI InChI=1S/C23H24ClN3O/c24-19-8-4-7-18(15-19)23(16-25)13-11-20(12-14-23)27-22(28)10-9-21(26-27)17-5-2-1-3-6-17/h1-10,15,20H,11-14,16,25H2/t20-,23- | PDB
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| Article
PubMed
| n/a | n/a | 1.94E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP8 |
Bioorg Med Chem Lett 24: 731-6 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.118
BindingDB Entry DOI: 10.7270/Q27W6DPZ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50447694
(CHEMBL3112967)Show SMILES NC[C@@]1(CC[C@@H](CC1)N1CCn2c(nnc2C(F)(F)F)C1=O)c1cccc(Cl)c1 |r,wU:2.24,wD:5.8,(24.01,-3.43,;22.69,-4.22,;22.72,-5.78,;24.03,-4.97,;25.38,-5.72,;25.42,-7.26,;24.11,-8.06,;22.76,-7.32,;26.77,-8,;26.8,-9.54,;28.14,-10.28,;29.46,-9.48,;29.43,-7.94,;30.88,-7.43,;31.81,-8.66,;30.94,-9.92,;31.44,-11.37,;30.44,-12.54,;32.96,-11.66,;32.21,-12.7,;28.08,-7.19,;28.04,-5.65,;21.37,-5.05,;20.05,-5.86,;18.7,-5.12,;18.66,-3.58,;19.98,-2.78,;19.94,-1.24,;21.33,-3.51,)| Show InChI InChI=1S/C19H21ClF3N5O/c20-13-3-1-2-12(10-13)18(11-24)6-4-14(5-7-18)27-8-9-28-15(16(27)29)25-26-17(28)19(21,22)23/h1-3,10,14H,4-9,11,24H2/t14-,18- | PDB
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| n/a | n/a | 2.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP8 |
Bioorg Med Chem Lett 24: 731-6 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.118
BindingDB Entry DOI: 10.7270/Q27W6DPZ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50447691
(CHEMBL3112959)Show SMILES NC[C@@]1(CC[C@@H](CC1)n1nc(ccc1=O)-c1ccccc1)c1cccc(Cl)c1 |r,wU:2.23,wD:5.8,(10.38,-8.66,;9.06,-9.46,;9.09,-11.02,;10.4,-10.21,;11.75,-10.95,;11.79,-12.49,;10.48,-13.29,;9.13,-12.56,;13.14,-13.23,;13.17,-14.77,;14.51,-15.51,;15.83,-14.72,;15.8,-13.18,;14.45,-12.43,;14.41,-10.89,;14.54,-17.05,;13.22,-17.84,;13.25,-19.37,;14.6,-20.12,;15.92,-19.32,;15.88,-17.78,;7.74,-10.29,;6.42,-11.1,;5.07,-10.36,;5.03,-8.82,;6.35,-8.02,;6.32,-6.48,;7.7,-8.75,)| Show InChI InChI=1S/C23H24ClN3O/c24-19-8-4-7-18(15-19)23(16-25)13-11-20(12-14-23)27-22(28)10-9-21(26-27)17-5-2-1-3-6-17/h1-10,15,20H,11-14,16,25H2/t20-,23- | PDB
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| n/a | n/a | 2.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP9 |
Bioorg Med Chem Lett 24: 731-6 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.118
BindingDB Entry DOI: 10.7270/Q27W6DPZ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50447698
(CHEMBL3112958)Show SMILES Cc1ccc(=O)n(n1)[C@H]1CC[C@@](CN)(CC1)c1cccc(Cl)c1 |r,wU:11.17,wD:8.8,(14.54,-17.05,;14.51,-15.51,;15.83,-14.71,;15.8,-13.17,;14.45,-12.43,;14.41,-10.89,;13.14,-13.23,;13.17,-14.77,;11.79,-12.49,;11.75,-10.95,;10.4,-10.21,;9.09,-11.02,;9.06,-9.46,;10.38,-8.66,;9.13,-12.56,;10.47,-13.29,;7.74,-10.29,;6.42,-11.1,;5.07,-10.36,;5.03,-8.82,;6.35,-8.02,;6.32,-6.48,;7.7,-8.75,)| Show InChI InChI=1S/C18H22ClN3O/c1-13-5-6-17(23)22(21-13)16-7-9-18(12-20,10-8-16)14-3-2-4-15(19)11-14/h2-6,11,16H,7-10,12,20H2,1H3/t16-,18- | PDB
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| n/a | n/a | 2.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP8 |
Bioorg Med Chem Lett 24: 731-6 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.118
BindingDB Entry DOI: 10.7270/Q27W6DPZ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50447700
(CHEMBL3112971)Show SMILES NC[C@@]1(CC[C@@H](CC1)N1CCc2c(C1)nc(nc2C1CC1)C(F)(F)F)c1cccc(Cl)c1 |r,wU:2.28,wD:5.8,(2.86,-13.16,;1.54,-13.95,;1.58,-15.51,;2.88,-14.7,;4.24,-15.45,;4.28,-16.99,;2.96,-17.79,;1.61,-17.05,;5.63,-17.73,;5.65,-19.27,;7,-20.01,;8.32,-19.21,;8.29,-17.67,;6.93,-16.92,;9.59,-16.87,;10.94,-17.61,;10.98,-19.15,;9.66,-19.95,;9.69,-21.49,;8.96,-22.83,;10.5,-22.8,;12.25,-16.8,;13.6,-17.54,;12.21,-15.26,;13.58,-16.02,;.22,-14.78,;-1.11,-15.59,;-2.46,-14.85,;-2.49,-13.31,;-1.17,-12.51,;-1.21,-10.97,;.18,-13.24,)| Show InChI InChI=1S/C24H28ClF3N4/c25-17-3-1-2-16(12-17)23(14-29)9-6-18(7-10-23)32-11-8-19-20(13-32)30-22(24(26,27)28)31-21(19)15-4-5-15/h1-3,12,15,18H,4-11,13-14,29H2/t18-,23- | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP8 |
Bioorg Med Chem Lett 24: 731-6 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.118
BindingDB Entry DOI: 10.7270/Q27W6DPZ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50447700
(CHEMBL3112971)Show SMILES NC[C@@]1(CC[C@@H](CC1)N1CCc2c(C1)nc(nc2C1CC1)C(F)(F)F)c1cccc(Cl)c1 |r,wU:2.28,wD:5.8,(2.86,-13.16,;1.54,-13.95,;1.58,-15.51,;2.88,-14.7,;4.24,-15.45,;4.28,-16.99,;2.96,-17.79,;1.61,-17.05,;5.63,-17.73,;5.65,-19.27,;7,-20.01,;8.32,-19.21,;8.29,-17.67,;6.93,-16.92,;9.59,-16.87,;10.94,-17.61,;10.98,-19.15,;9.66,-19.95,;9.69,-21.49,;8.96,-22.83,;10.5,-22.8,;12.25,-16.8,;13.6,-17.54,;12.21,-15.26,;13.58,-16.02,;.22,-14.78,;-1.11,-15.59,;-2.46,-14.85,;-2.49,-13.31,;-1.17,-12.51,;-1.21,-10.97,;.18,-13.24,)| Show InChI InChI=1S/C24H28ClF3N4/c25-17-3-1-2-16(12-17)23(14-29)9-6-18(7-10-23)32-11-8-19-20(13-32)30-22(24(26,27)28)31-21(19)15-4-5-15/h1-3,12,15,18H,4-11,13-14,29H2/t18-,23- | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP9 |
Bioorg Med Chem Lett 24: 731-6 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.118
BindingDB Entry DOI: 10.7270/Q27W6DPZ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50447698
(CHEMBL3112958)Show SMILES Cc1ccc(=O)n(n1)[C@H]1CC[C@@](CN)(CC1)c1cccc(Cl)c1 |r,wU:11.17,wD:8.8,(14.54,-17.05,;14.51,-15.51,;15.83,-14.71,;15.8,-13.17,;14.45,-12.43,;14.41,-10.89,;13.14,-13.23,;13.17,-14.77,;11.79,-12.49,;11.75,-10.95,;10.4,-10.21,;9.09,-11.02,;9.06,-9.46,;10.38,-8.66,;9.13,-12.56,;10.47,-13.29,;7.74,-10.29,;6.42,-11.1,;5.07,-10.36,;5.03,-8.82,;6.35,-8.02,;6.32,-6.48,;7.7,-8.75,)| Show InChI InChI=1S/C18H22ClN3O/c1-13-5-6-17(23)22(21-13)16-7-9-18(12-20,10-8-16)14-3-2-4-15(19)11-14/h2-6,11,16H,7-10,12,20H2,1H3/t16-,18- | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP9 |
Bioorg Med Chem Lett 24: 731-6 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.118
BindingDB Entry DOI: 10.7270/Q27W6DPZ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50447699
(CHEMBL3112960)Show SMILES NC[C@@]1(CC[C@@H](CC1)n1nc(ccc1=O)-c1cccnc1)c1cccc(Cl)c1 |r,wU:2.23,wD:5.8,(10.38,-8.66,;9.06,-9.46,;9.09,-11.02,;10.4,-10.21,;11.75,-10.95,;11.79,-12.49,;10.48,-13.29,;9.13,-12.56,;13.14,-13.23,;13.17,-14.77,;14.51,-15.51,;15.83,-14.72,;15.8,-13.18,;14.45,-12.43,;14.41,-10.89,;14.54,-17.05,;13.22,-17.84,;13.25,-19.37,;14.6,-20.12,;15.92,-19.32,;15.88,-17.78,;7.74,-10.29,;6.42,-11.1,;5.07,-10.36,;5.03,-8.82,;6.35,-8.02,;6.32,-6.48,;7.7,-8.75,)| Show InChI InChI=1S/C22H23ClN4O/c23-18-5-1-4-17(13-18)22(15-24)10-8-19(9-11-22)27-21(28)7-6-20(26-27)16-3-2-12-25-14-16/h1-7,12-14,19H,8-11,15,24H2/t19-,22- | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP8 |
Bioorg Med Chem Lett 24: 731-6 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.118
BindingDB Entry DOI: 10.7270/Q27W6DPZ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50447699
(CHEMBL3112960)Show SMILES NC[C@@]1(CC[C@@H](CC1)n1nc(ccc1=O)-c1cccnc1)c1cccc(Cl)c1 |r,wU:2.23,wD:5.8,(10.38,-8.66,;9.06,-9.46,;9.09,-11.02,;10.4,-10.21,;11.75,-10.95,;11.79,-12.49,;10.48,-13.29,;9.13,-12.56,;13.14,-13.23,;13.17,-14.77,;14.51,-15.51,;15.83,-14.72,;15.8,-13.18,;14.45,-12.43,;14.41,-10.89,;14.54,-17.05,;13.22,-17.84,;13.25,-19.37,;14.6,-20.12,;15.92,-19.32,;15.88,-17.78,;7.74,-10.29,;6.42,-11.1,;5.07,-10.36,;5.03,-8.82,;6.35,-8.02,;6.32,-6.48,;7.7,-8.75,)| Show InChI InChI=1S/C22H23ClN4O/c23-18-5-1-4-17(13-18)22(15-24)10-8-19(9-11-22)27-21(28)7-6-20(26-27)16-3-2-12-25-14-16/h1-7,12-14,19H,8-11,15,24H2/t19-,22- | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP9 |
Bioorg Med Chem Lett 24: 731-6 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.118
BindingDB Entry DOI: 10.7270/Q27W6DPZ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50447697
(CHEMBL3112970)Show SMILES NC[C@@]1(CC[C@@H](CC1)N1CCn2c(C1)nnc2C(F)(F)F)c1cccc(Cl)c1 |r,wU:2.23,wD:5.8,(24,-3.43,;22.69,-4.22,;22.72,-5.78,;24.03,-4.97,;25.38,-5.71,;25.42,-7.26,;24.1,-8.05,;22.75,-7.32,;26.77,-7.99,;26.79,-9.53,;28.14,-10.27,;29.46,-9.47,;29.43,-7.94,;28.07,-7.19,;30.88,-7.43,;31.81,-8.66,;30.93,-9.92,;31.44,-11.37,;30.43,-12.54,;32.95,-11.66,;32.2,-12.7,;21.37,-5.05,;20.05,-5.86,;18.69,-5.12,;18.66,-3.58,;19.98,-2.78,;19.94,-1.24,;21.32,-3.51,)| Show InChI InChI=1S/C19H23ClF3N5/c20-14-3-1-2-13(10-14)18(12-24)6-4-15(5-7-18)27-8-9-28-16(11-27)25-26-17(28)19(21,22)23/h1-3,10,15H,4-9,11-12,24H2/t15-,18- | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP9 |
Bioorg Med Chem Lett 24: 731-6 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.118
BindingDB Entry DOI: 10.7270/Q27W6DPZ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50447697
(CHEMBL3112970)Show SMILES NC[C@@]1(CC[C@@H](CC1)N1CCn2c(C1)nnc2C(F)(F)F)c1cccc(Cl)c1 |r,wU:2.23,wD:5.8,(24,-3.43,;22.69,-4.22,;22.72,-5.78,;24.03,-4.97,;25.38,-5.71,;25.42,-7.26,;24.1,-8.05,;22.75,-7.32,;26.77,-7.99,;26.79,-9.53,;28.14,-10.27,;29.46,-9.47,;29.43,-7.94,;28.07,-7.19,;30.88,-7.43,;31.81,-8.66,;30.93,-9.92,;31.44,-11.37,;30.43,-12.54,;32.95,-11.66,;32.2,-12.7,;21.37,-5.05,;20.05,-5.86,;18.69,-5.12,;18.66,-3.58,;19.98,-2.78,;19.94,-1.24,;21.32,-3.51,)| Show InChI InChI=1S/C19H23ClF3N5/c20-14-3-1-2-13(10-14)18(12-24)6-4-15(5-7-18)27-8-9-28-16(11-27)25-26-17(28)19(21,22)23/h1-3,10,15H,4-9,11-12,24H2/t15-,18- | PDB
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| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP8 |
Bioorg Med Chem Lett 24: 731-6 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.118
BindingDB Entry DOI: 10.7270/Q27W6DPZ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(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
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| n/a | n/a | 3.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP8 |
Bioorg Med Chem Lett 24: 731-6 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.118
BindingDB Entry DOI: 10.7270/Q27W6DPZ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(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
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| n/a | n/a | 6.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP9 |
Bioorg Med Chem Lett 24: 731-6 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.118
BindingDB Entry DOI: 10.7270/Q27W6DPZ |
More data for this
Ligand-Target Pair | |
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