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Compile Data Set for Download or QSAR

Found 239 hits with Last Name = 'sattigeri' and Initial = 'ja'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251493
PNG
((2S,4S)-1-(2-(1-(4-cyano-3,5-difluorophenyl)piperi...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC1CCN(CC1)c1cc(F)c(C#N)c(F)c1 |r|
Show InChI InChI=1S/C19H20F3N5O/c20-12-5-15(8-23)27(11-12)19(28)10-25-13-1-3-26(4-2-13)14-6-17(21)16(9-24)18(22)7-14/h6-7,12-13,15,25H,1-5,10-11H2/t12-,15-/m0/s1
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1n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251494
PNG
((2S,4S)-1-(2-(1-(4-cyano-2-(trifluoromethyl)phenyl...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC1CCN(CC1)c1ccc(cc1C(F)(F)F)C#N |r|
Show InChI InChI=1S/C20H21F4N5O/c21-14-8-16(10-26)29(12-14)19(30)11-27-15-3-5-28(6-4-15)18-2-1-13(9-25)7-17(18)20(22,23)24/h1-2,7,14-16,27H,3-6,8,11-12H2/t14-,16-/m0/s1
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5n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251495
PNG
((2S,4S)-4-fluoro-1-(2-(1-(5-(trifluoromethyl)pyrid...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC1CCN(CC1)c1ccc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C18H21F4N5O/c19-13-7-15(8-23)27(11-13)17(28)10-24-14-3-5-26(6-4-14)16-2-1-12(9-25-16)18(20,21)22/h1-2,9,13-15,24H,3-7,10-11H2/t13-,15-/m0/s1
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12n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251517
PNG
(6-(4-(2-((2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl)-...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC1CCN(CC1)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C18H21FN6O/c19-14-7-16(9-21)25(12-14)18(26)11-22-15-3-5-24(6-4-15)17-2-1-13(8-20)10-23-17/h1-2,10,14-16,22H,3-7,11-12H2/t14-,16-/m0/s1
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31n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251518
PNG
((2S,4S)-1-(2-(1-(4-cyanophenyl)piperidin-4-ylamino...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC1CCN(CC1)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C19H22FN5O/c20-15-9-18(11-22)25(13-15)19(26)12-23-16-5-7-24(8-6-16)17-3-1-14(10-21)2-4-17/h1-4,15-16,18,23H,5-9,12-13H2/t15-,18-/m0/s1
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79n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Ranbaxy Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


Bioorg Med Chem Lett 27: 2313-2318 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.036
BindingDB Entry DOI: 10.7270/Q2ZC858S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50242264
PNG
(CHEMBL4086264)
Show SMILES CC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C29H35F3N4O6/c1-2-23(35-24(28(39)40)9-8-16-6-4-3-5-7-16)27(38)36-15-19(13-25(36)29(41)42)34-26(37)12-18(33)10-17-11-21(31)22(32)14-20(17)30/h3-7,11,14,18-19,23-25,35H,2,8-10,12-13,15,33H2,1H3,(H,34,37)(H,39,40)(H,41,42)/t18-,19+,23+,24+,25+/m1/s1
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n/an/a 8.60n/an/an/an/an/an/a



Ranbaxy Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of human plasma ACE


Bioorg Med Chem Lett 27: 2313-2318 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.036
BindingDB Entry DOI: 10.7270/Q2ZC858S
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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n/an/a 9.60n/an/an/an/an/an/a



Ranbaxy Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat plasma ACE


Bioorg Med Chem Lett 27: 2313-2318 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.036
BindingDB Entry DOI: 10.7270/Q2ZC858S
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Ranbaxy Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


Bioorg Med Chem Lett 27: 2313-2318 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.036
BindingDB Entry DOI: 10.7270/Q2ZC858S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11162
PNG
((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
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n/an/a 20n/an/an/an/an/an/a



Ranbaxy Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 27: 2313-2318 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.036
BindingDB Entry DOI: 10.7270/Q2ZC858S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50242264
PNG
(CHEMBL4086264)
Show SMILES CC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C29H35F3N4O6/c1-2-23(35-24(28(39)40)9-8-16-6-4-3-5-7-16)27(38)36-15-19(13-25(36)29(41)42)34-26(37)12-18(33)10-17-11-21(31)22(32)14-20(17)30/h3-7,11,14,18-19,23-25,35H,2,8-10,12-13,15,33H2,1H3,(H,34,37)(H,39,40)(H,41,42)/t18-,19+,23+,24+,25+/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Ranbaxy Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


Bioorg Med Chem Lett 27: 2313-2318 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.036
BindingDB Entry DOI: 10.7270/Q2ZC858S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251413
PNG
((2S,4S)-4-fluoro-1-(2-((1S,5R,6s)-3-(pyridin-2-yl)...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccccn1 |r|
Show InChI InChI=1S/C17H20FN5O/c18-11-5-12(6-19)23(8-11)16(24)7-21-17-13-9-22(10-14(13)17)15-3-1-2-4-20-15/h1-4,11-14,17,21H,5,7-10H2/t11-,12-,13-,14+,17+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251758
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(3-chloro-2-cyanophenyl...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cccc(Cl)c1C#N |r|
Show InChI InChI=1S/C19H19ClFN5O/c20-16-2-1-3-17(13(16)6-23)25-9-14-15(10-25)19(14)24-7-18(27)26-8-11(21)4-12(26)5-22/h1-3,11-12,14-15,19,24H,4,7-10H2/t11-,12-,14-,15+,19+/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))
BDBM11162
PNG
((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
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n/an/a 33n/an/an/an/an/an/a



Ranbaxy Laboratories Limited

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity against human carbonic anhydrase II; (ki*10e-9)


Bioorg Med Chem Lett 27: 2313-2318 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.036
BindingDB Entry DOI: 10.7270/Q2ZC858S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251681
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(4-cyano-3,5-difluoroph...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cc(F)c(C#N)c(F)c1 |r|
Show InChI InChI=1S/C19H18F3N5O/c20-10-1-12(4-23)27(7-10)18(28)6-25-19-14-8-26(9-15(14)19)11-2-16(21)13(5-24)17(22)3-11/h2-3,10,12,14-15,19,25H,1,6-9H2/t10-,12-,14-,15+,19+/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251786
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(2-cyano-3-(trifluorome...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cccc(c1C#N)C(F)(F)F |r|
Show InChI InChI=1S/C20H19F4N5O/c21-11-4-12(5-25)29(8-11)18(30)7-27-19-14-9-28(10-15(14)19)17-3-1-2-16(13(17)6-26)20(22,23)24/h1-3,11-12,14-15,19,27H,4,7-10H2/t11-,12-,14-,15+,19+/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)
BDBM11162
PNG
((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
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n/an/a 46n/an/an/an/an/an/a



Ranbaxy Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


Bioorg Med Chem Lett 27: 2313-2318 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.036
BindingDB Entry DOI: 10.7270/Q2ZC858S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50251852
PNG
((2S,4S)-4-fluoro-1-(2-((1S,5R,6s)-3-(pyrimidin-2-y...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ncccn1 |r|
Show InChI InChI=1S/C16H19FN6O/c17-10-4-11(5-18)23(7-10)14(24)6-21-15-12-8-22(9-13(12)15)16-19-2-1-3-20-16/h1-3,10-13,15,21H,4,6-9H2/t10-,11-,12-,13+,15+/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PPCE (unknown origin)


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251414
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(5-chloropyridin-2-yl)-...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C17H19ClFN5O/c18-10-1-2-15(21-5-10)23-8-13-14(9-23)17(13)22-6-16(25)24-7-11(19)3-12(24)4-20/h1-2,5,11-14,17,22H,3,6-9H2/t11-,12-,13-,14+,17+/m0/s1
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n/an/a 49n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251757
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(2-cyanophenyl)-3-aza-b...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccccc1C#N |r|
Show InChI InChI=1S/C19H20FN5O/c20-13-5-14(7-22)25(9-13)18(26)8-23-19-15-10-24(11-16(15)19)17-4-2-1-3-12(17)6-21/h1-4,13-16,19,23H,5,8-11H2/t13-,14-,15-,16+,19+/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50242265
PNG
(CHEMBL4078112)
Show SMILES CCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C30H37F3N4O6/c1-2-6-24(36-25(29(40)41)10-9-17-7-4-3-5-8-17)28(39)37-16-20(14-26(37)30(42)43)35-27(38)13-19(34)11-18-12-22(32)23(33)15-21(18)31/h3-5,7-8,12,15,19-20,24-26,36H,2,6,9-11,13-14,16,34H2,1H3,(H,35,38)(H,40,41)(H,42,43)/t19-,20+,24+,25+,26+/m1/s1
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n/an/a 51n/an/an/an/an/an/a



Ranbaxy Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


Bioorg Med Chem Lett 27: 2313-2318 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.036
BindingDB Entry DOI: 10.7270/Q2ZC858S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242264
PNG
(CHEMBL4086264)
Show SMILES CC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C29H35F3N4O6/c1-2-23(35-24(28(39)40)9-8-16-6-4-3-5-7-16)27(38)36-15-19(13-25(36)29(41)42)34-26(37)12-18(33)10-17-11-21(31)22(32)14-20(17)30/h3-7,11,14,18-19,23-25,35H,2,8-10,12-13,15,33H2,1H3,(H,34,37)(H,39,40)(H,41,42)/t18-,19+,23+,24+,25+/m1/s1
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n/an/a 57n/an/an/an/an/an/a



Ranbaxy Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


Bioorg Med Chem Lett 27: 2313-2318 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.036
BindingDB Entry DOI: 10.7270/Q2ZC858S
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50242266
PNG
(CHEMBL4067185)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C28H33F3N4O6/c1-15(33-23(27(38)39)8-7-16-5-3-2-4-6-16)26(37)35-14-19(12-24(35)28(40)41)34-25(36)11-18(32)9-17-10-21(30)22(31)13-20(17)29/h2-6,10,13,15,18-19,23-24,33H,7-9,11-12,14,32H2,1H3,(H,34,36)(H,38,39)(H,40,41)/t15-,18+,19-,23-,24-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



Ranbaxy Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of ob/ob mouse plasma ACE


Bioorg Med Chem Lett 27: 2313-2318 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.036
BindingDB Entry DOI: 10.7270/Q2ZC858S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251684
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(4-cyano-2-(trifluorome...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1C(F)(F)F)C#N |r|
Show InChI InChI=1S/C20H19F4N5O/c21-12-4-13(6-26)29(8-12)18(30)7-27-19-14-9-28(10-15(14)19)17-2-1-11(5-25)3-16(17)20(22,23)24/h1-3,12-15,19,27H,4,7-10H2/t12-,13-,14-,15+,19+/m0/s1
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n/an/a 59n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251787
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(2-cyano-6-fluorophenyl...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1c(F)cccc1C#N |r|
Show InChI InChI=1S/C19H19F2N5O/c20-12-4-13(6-23)26(8-12)17(27)7-24-18-14-9-25(10-15(14)18)19-11(5-22)2-1-3-16(19)21/h1-3,12-15,18,24H,4,7-10H2/t12-,13-,14-,15+,18+/m0/s1
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n/an/a 63n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50251682
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(2-chloro-4-cyanophenyl...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1Cl)C#N |r|
Show InChI InChI=1S/C19H19ClFN5O/c20-16-3-11(5-22)1-2-17(16)25-9-14-15(10-25)19(14)24-7-18(27)26-8-12(21)4-13(26)6-23/h1-3,12-15,19,24H,4,7-10H2/t12-,13-,14-,15+,19+/m0/s1
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n/an/a 66n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP9 (unknown origin)


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242265
PNG
(CHEMBL4078112)
Show SMILES CCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C30H37F3N4O6/c1-2-6-24(36-25(29(40)41)10-9-17-7-4-3-5-8-17)28(39)37-16-20(14-26(37)30(42)43)35-27(38)13-19(34)11-18-12-22(32)23(33)15-21(18)31/h3-5,7-8,12,15,19-20,24-26,36H,2,6,9-11,13-14,16,34H2,1H3,(H,35,38)(H,40,41)(H,42,43)/t19-,20+,24+,25+,26+/m1/s1
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n/an/a 67n/an/an/an/an/an/a



Ranbaxy Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 27: 2313-2318 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.036
BindingDB Entry DOI: 10.7270/Q2ZC858S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251467
PNG
((2S,4S)-4-fluoro-1-(2-((1S,5R,6s)-3-(3-nitropyridi...)
Show SMILES [O-][N+](=O)c1cccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C17H19FN6O3/c18-10-4-11(5-19)23(7-10)15(25)6-21-16-12-8-22(9-13(12)16)17-14(24(26)27)2-1-3-20-17/h1-3,10-13,16,21H,4,6-9H2/t10-,11-,12-,13+,16+/m0/s1
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n/an/a 78n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251852
PNG
((2S,4S)-4-fluoro-1-(2-((1S,5R,6s)-3-(pyrimidin-2-y...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ncccn1 |r|
Show InChI InChI=1S/C16H19FN6O/c17-10-4-11(5-18)23(7-10)14(24)6-21-15-12-8-22(9-13(12)15)16-19-2-1-3-20-16/h1-3,10-13,15,21H,4,6-9H2/t10-,11-,12-,13+,15+/m0/s1
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n/an/a 84n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251427
PNG
((2S,4S)-4-fluoro-1-(2-((1S,5R,6s)-3-(5-nitropyridi...)
Show SMILES [O-][N+](=O)c1ccc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C17H19FN6O3/c18-10-3-12(4-19)23(7-10)16(25)6-21-17-13-8-22(9-14(13)17)15-2-1-11(5-20-15)24(26)27/h1-2,5,10,12-14,17,21H,3,6-9H2/t10-,12-,13-,14+,17+/m0/s1
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n/an/a 85n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251468
PNG
(2-((1S,5R,6s)-6-(2-((2S,4S)-2-cyano-4-fluoropyrrol...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ncccc1C#N |r|
Show InChI InChI=1S/C18H19FN6O/c19-12-4-13(6-21)25(8-12)16(26)7-23-17-14-9-24(10-15(14)17)18-11(5-20)2-1-3-22-18/h1-3,12-15,17,23H,4,7-10H2/t12-,13-,14-,15+,17+/m0/s1
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n/an/a 91n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251788
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(2-cyano-3-fluorophenyl...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cccc(F)c1C#N |r|
Show InChI InChI=1S/C19H19F2N5O/c20-11-4-12(5-22)26(8-11)18(27)7-24-19-14-9-25(10-15(14)19)17-3-1-2-16(21)13(17)6-23/h1-3,11-12,14-15,19,24H,4,7-10H2/t11-,12-,14-,15+,19+/m0/s1
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n/an/a 92n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251491
PNG
(6-((1S,5R,6s)-6-(2-((S)-2-cyano-4,4-difluoropyrrol...)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C18H18F2N6O/c19-18(20)3-12(5-22)26(10-18)16(27)7-24-17-13-8-25(9-14(13)17)15-2-1-11(4-21)6-23-15/h1-2,6,12-14,17,24H,3,7-10H2/t12-,13-,14+,17+/m0/s1
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n/an/a 93n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251682
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(2-chloro-4-cyanophenyl...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1Cl)C#N |r|
Show InChI InChI=1S/C19H19ClFN5O/c20-16-3-11(5-22)1-2-17(16)25-9-14-15(10-25)19(14)24-7-18(27)26-8-12(21)4-13(26)6-23/h1-3,12-15,19,24H,4,7-10H2/t12-,13-,14-,15+,19+/m0/s1
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n/an/a 95n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251721
PNG
(4-((1S,5R,6s)-6-(2-((2S,4S)-2-cyano-4-fluoropyrrol...)
Show SMILES NC(=O)c1ccc(cc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C19H22FN5O2/c20-12-5-14(6-21)25(8-12)17(26)7-23-18-15-9-24(10-16(15)18)13-3-1-11(2-4-13)19(22)27/h1-4,12,14-16,18,23H,5,7-10H2,(H2,22,27)/t12-,14-,15-,16+,18+/m0/s1
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n/an/a 95n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50251758
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(3-chloro-2-cyanophenyl...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cccc(Cl)c1C#N |r|
Show InChI InChI=1S/C19H19ClFN5O/c20-16-2-1-3-17(13(16)6-23)25-9-14-15(10-25)19(14)24-7-18(27)26-8-11(21)4-12(26)5-22/h1-3,11-12,14-15,19,24H,4,7-10H2/t11-,12-,14-,15+,19+/m0/s1
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n/an/a 96n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP2 (unknown origin)


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50242264
PNG
(CHEMBL4086264)
Show SMILES CC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C29H35F3N4O6/c1-2-23(35-24(28(39)40)9-8-16-6-4-3-5-7-16)27(38)36-15-19(13-25(36)29(41)42)34-26(37)12-18(33)10-17-11-21(31)22(32)14-20(17)30/h3-7,11,14,18-19,23-25,35H,2,8-10,12-13,15,33H2,1H3,(H,34,37)(H,39,40)(H,41,42)/t18-,19+,23+,24+,25+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Ranbaxy Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of ob/ob mouse plasma ACE


Bioorg Med Chem Lett 27: 2313-2318 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.036
BindingDB Entry DOI: 10.7270/Q2ZC858S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242274
PNG
(CHEMBL4090635)
Show SMILES CCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C31H39F3N4O6/c1-2-3-9-25(37-26(30(41)42)11-10-18-7-5-4-6-8-18)29(40)38-17-21(15-27(38)31(43)44)36-28(39)14-20(35)12-19-13-23(33)24(34)16-22(19)32/h4-8,13,16,20-21,25-27,37H,2-3,9-12,14-15,17,35H2,1H3,(H,36,39)(H,41,42)(H,43,44)/t20-,21+,25+,26+,27+/m1/s1
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n/an/a 102n/an/an/an/an/an/a



Ranbaxy Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 27: 2313-2318 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.036
BindingDB Entry DOI: 10.7270/Q2ZC858S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251719
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(4-acetylphenyl)-3-aza-...)
Show SMILES CC(=O)c1ccc(cc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C20H23FN4O2/c1-12(26)13-2-4-15(5-3-13)24-10-17-18(11-24)20(17)23-8-19(27)25-9-14(21)6-16(25)7-22/h2-5,14,16-18,20,23H,6,8-11H2,1H3/t14-,16-,17-,18+,20+/m0/s1
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n/an/a 109n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251643
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(4-cyano-3-fluorophenyl...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(C#N)c(F)c1 |r|
Show InChI InChI=1S/C19H19F2N5O/c20-12-3-14(6-23)26(8-12)18(27)7-24-19-15-9-25(10-16(15)19)13-2-1-11(5-22)17(21)4-13/h1-2,4,12,14-16,19,24H,3,7-10H2/t12-,14-,15-,16+,19+/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251819
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(3-cyano-5-fluorophenyl...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cc(F)cc(c1)C#N |r|
Show InChI InChI=1S/C19H19F2N5O/c20-12-1-11(5-22)2-14(3-12)25-9-16-17(10-25)19(16)24-7-18(27)26-8-13(21)4-15(26)6-23/h1-3,13,15-17,19,24H,4,7-10H2/t13-,15-,16-,17+,19+/m0/s1
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n/an/a 118n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50251758
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(3-chloro-2-cyanophenyl...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cccc(Cl)c1C#N |r|
Show InChI InChI=1S/C19H19ClFN5O/c20-16-2-1-3-17(13(16)6-23)25-9-14-15(10-25)19(14)24-7-18(27)26-8-11(21)4-12(26)5-22/h1-3,11-12,14-15,19,24H,4,7-10H2/t11-,12-,14-,15+,19+/m0/s1
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n/an/a 119n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP9 (unknown origin)


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251465
PNG
((2S,4S)-4-fluoro-1-(2-((1S,5R,6s)-3-(5-(trifluorom...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C18H19F4N5O/c19-11-3-12(4-23)27(7-11)16(28)6-25-17-13-8-26(9-14(13)17)15-2-1-10(5-24-15)18(20,21)22/h1-2,5,11-14,17,25H,3,6-9H2/t11-,12-,13-,14+,17+/m0/s1
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n/an/a 123n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50251684
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(4-cyano-2-(trifluorome...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1C(F)(F)F)C#N |r|
Show InChI InChI=1S/C20H19F4N5O/c21-12-4-13(6-26)29(8-12)18(30)7-27-19-14-9-28(10-15(14)19)17-2-1-11(5-25)3-16(17)20(22,23)24/h1-3,12-15,19,27H,4,7-10H2/t12-,13-,14-,15+,19+/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP9 (unknown origin)


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50251642
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(4-cyano-2-fluorophenyl...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1F)C#N |r|
Show InChI InChI=1S/C19H19F2N5O/c20-12-4-13(6-23)26(8-12)18(27)7-24-19-14-9-25(10-15(14)19)17-2-1-11(5-22)3-16(17)21/h1-3,12-15,19,24H,4,7-10H2/t12-,13-,14-,15+,19+/m0/s1
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n/an/a 131n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP9 (unknown origin)


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251789
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(2-cyano-4-(trifluorome...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1C#N)C(F)(F)F |r|
Show InChI InChI=1S/C20H19F4N5O/c21-13-4-14(6-26)29(8-13)18(30)7-27-19-15-9-28(10-16(15)19)17-2-1-12(20(22,23)24)3-11(17)5-25/h1-3,13-16,19,27H,4,7-10H2/t13-,14-,15-,16+,19+/m0/s1
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n/an/a 141n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251854
PNG
((2S,4S)-4-fluoro-1-(2-((1S,5R,6s)-3-(thiazol-2-yl)...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1nccs1 |r|
Show InChI InChI=1S/C15H18FN5OS/c16-9-3-10(4-17)21(6-9)13(22)5-19-14-11-7-20(8-12(11)14)15-18-1-2-23-15/h1-2,9-12,14,19H,3,5-8H2/t9-,10-,11-,12+,14+/m0/s1
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n/an/a 146n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251466
PNG
(6-((1S,5R,6s)-6-(2-((2S,4S)-2-cyano-4-fluoropyrrol...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C18H19FN6O/c19-12-3-13(5-21)25(8-12)17(26)7-23-18-14-9-24(10-15(14)18)16-2-1-11(4-20)6-22-16/h1-2,6,12-15,18,23H,3,7-10H2/t12-,13-,14-,15+,18+/m0/s1
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n/an/a 147n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50251851
PNG
(CHEMBL505629 | Lys[Z(NO2)]pyrrolidide)
Show SMILES N[C@@H](CCCCNC(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C18H26N4O5/c19-16(17(23)21-11-3-4-12-21)5-1-2-10-20-18(24)27-13-14-6-8-15(9-7-14)22(25)26/h6-9,16H,1-5,10-13,19H2,(H,20,24)/t16-/m0/s1
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n/an/a 147n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP8 (unknown origin)


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50251683
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(3-chloro-4-cyanophenyl...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C19H19ClFN5O/c20-17-4-13(2-1-11(17)5-22)25-9-15-16(10-25)19(15)24-7-18(27)26-8-12(21)3-14(26)6-23/h1-2,4,12,14-16,19,24H,3,7-10H2/t12-,14-,15-,16+,19+/m0/s1
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n/an/a 152n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
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