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Compile Data Set for Download or QSAR

Found 61 hits with Last Name = 'taunk' and Initial = 'pc'   
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


(Sus scrofa (pig))
BDBM50287059
PNG
((S)-1-(2-Amino-3-methyl-pentanoyl)-pyrrolidine-2-c...)
Show SMILES CCC(C)C(N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C11H19N3O/c1-3-8(2)10(13)11(15)14-6-4-5-9(14)7-12/h8-10H,3-6,13H2,1-2H3/t8?,9-,10?/m0/s1
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2n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11911
PNG
((2S)-2-amino-N-(cyanomethyl)-N-ethyl-2-(3-hydroxya...)
Show SMILES [H][C@@](N)(C(=O)N(CC)CC#N)[C@@]12CC3CC(CC(O)(C3)C1)C2 |r,TLB:18:17:12:14.21.15,18:17:21:12.14.13,19:17:21:12.14.13,19:13:21:17.20.16,THB:16:17:12:14.21.15,16:15:12:17.20.19|
Show InChI InChI=1S/C16H25N3O2/c1-2-19(4-3-17)14(20)13(18)15-6-11-5-12(7-15)9-16(21,8-11)10-15/h11-13,21H,2,4-10,18H2,1H3/t11?,12?,13-,15-,16?/m1/s1
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3 -48.2n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.098
BindingDB Entry DOI: 10.7270/Q2HD7SXP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM11928
PNG
((1S,3S,5S)-2-{[(2S,4S)-4-[(3-chloro-4-cyanophenyl)...)
Show SMILES Clc1cc(N[C@@H]2CN[C@@H](C2)C(=O)N2[C@H]3C[C@H]3C[C@H]2C#N)ccc1C#N |r|
Show InChI InChI=1S/C18H18ClN5O/c19-15-5-12(2-1-10(15)7-20)23-13-6-16(22-9-13)18(25)24-14(8-21)3-11-4-17(11)24/h1-2,5,11,13-14,16-17,22-23H,3-4,6,9H2/t11-,13+,14+,16+,17+/m1/s1
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3.60 -47.7n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM50145999
PNG
((1S,5S)-2-(2-Amino-2-cyclopentyl-acetyl)-2-aza-bic...)
Show SMILES NC(C1CCCC1)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C13H19N3O/c14-7-10-5-9-6-11(9)16(10)13(17)12(15)8-3-1-2-4-8/h8-12H,1-6,15H2/t9-,10?,11+,12?/m1/s1
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4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM50146015
PNG
((1S,5S)-2-[2-Amino-2-(1-methyl-cyclopentyl)-acetyl...)
Show SMILES CC1(CCCC1)C(N)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C14H21N3O/c1-14(4-2-3-5-14)12(16)13(18)17-10(8-15)6-9-7-11(9)17/h9-12H,2-7,16H2,1H3/t9-,10?,11+,12?/m1/s1
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7n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM50146002
PNG
((S)-2-((S)-2-Amino-3-methyl-3-(S)-methyl-butyryl)-...)
Show SMILES CC(C)(C)[C@H](N)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C12H19N3O/c1-12(2,3)10(14)11(16)15-8(6-13)4-7-5-9(7)15/h7-10H,4-5,14H2,1-3H3/t7-,8?,9+,10-/m1/s1
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7n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM50151003
PNG
((S)-1-((S)-2-Amino-3,3-dimethyl-butyryl)-pyrrolidi...)
Show SMILES CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C11H19N3O/c1-11(2,3)9(13)10(15)14-6-4-5-8(14)7-12/h8-9H,4-6,13H2,1-3H3/t8-,9+/m0/s1
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8n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM50146009
PNG
((1S,5S)-2-[2-Amino-2-(1-methyl-cyclohexyl)-acetyl]...)
Show SMILES CC1(CCCCC1)C(N)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C15H23N3O/c1-15(5-3-2-4-6-15)13(17)14(19)18-11(9-16)7-10-8-12(10)18/h10-13H,2-8,17H2,1H3/t10-,11?,12+,13?/m1/s1
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8n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM50146010
PNG
((1S,5S)-2-[2-Amino-2-(1-methyl-cyclobutyl)-acetyl]...)
Show SMILES CC1(CCC1)C(N)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C13H19N3O/c1-13(3-2-4-13)11(15)12(17)16-9(7-14)5-8-6-10(8)16/h8-11H,2-6,15H2,1H3/t8-,9?,10+,11?/m1/s1
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11n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM50145997
PNG
((1S,5S)-2-(2-Amino-2-cyclobutyl-acetyl)-2-aza-bicy...)
Show SMILES NC(C1CCC1)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C12H17N3O/c13-6-9-4-8-5-10(8)15(9)12(16)11(14)7-2-1-3-7/h7-11H,1-5,14H2/t8-,9?,10+,11?/m1/s1
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12n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM50146007
PNG
((1R,5S)-3-((S)-2-Amino-3-methyl-butyryl)-3-aza-bic...)
Show SMILES CC(C)[C@H](N)C(=O)N1C[C@H]2C[C@H]2C1C#N
Show InChI InChI=1S/C11H17N3O/c1-6(2)10(13)11(15)14-5-7-3-8(7)9(14)4-12/h6-10H,3,5,13H2,1-2H3/t7-,8-,9?,10+/m1/s1
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12n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM50146013
PNG
((1R,5S)-3-((S)-2-Amino-3,3-dimethyl-butyryl)-3-aza...)
Show SMILES CC(C)(C)[C@H](N)C(=O)N1C[C@H]2C[C@H]2C1C#N
Show InChI InChI=1S/C12H19N3O/c1-12(2,3)10(14)11(16)15-6-7-4-8(7)9(15)5-13/h7-10H,4,6,14H2,1-3H3/t7-,8-,9?,10-/m1/s1
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14n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM50145996
PNG
((1R,5S)-3-((S)-2-Amino-3-methyl-pentanoyl)-3-aza-b...)
Show SMILES CCC(C)[C@H](N)C(=O)N1C[C@H]2C[C@H]2C1C#N
Show InChI InChI=1S/C12H19N3O/c1-3-7(2)11(14)12(16)15-6-8-4-9(8)10(15)5-13/h7-11H,3-4,6,14H2,1-2H3/t7?,8-,9-,10?,11+/m1/s1
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15n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM50146005
PNG
((1S,5S)-2-(2-Amino-2-cyclohexyl-acetyl)-2-aza-bicy...)
Show SMILES NC(C1CCCCC1)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C14H21N3O/c15-8-11-6-10-7-12(10)17(11)14(18)13(16)9-4-2-1-3-5-9/h9-13H,1-7,16H2/t10-,11?,12+,13?/m1/s1
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15n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11910
PNG
((2S)-2-amino-N-(cyanomethyl)-2-(3-hydroxyadamantan...)
Show SMILES [H][C@@](N)(C(=O)N(C)CC#N)[C@@]12CC3CC(CC(O)(C3)C1)C2 |r,TLB:18:16:20:11.13.12,18:12:20:16.19.15,17:16:11:13.20.14,17:16:20:11.13.12,THB:15:16:11:13.20.14,15:14:11:16.19.18|
Show InChI InChI=1S/C15H23N3O2/c1-18(3-2-16)13(19)12(17)14-5-10-4-11(6-14)8-15(20,7-10)9-14/h10-12,20H,3-9,17H2,1H3/t10?,11?,12-,14-,15?/m1/s1
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18 -43.8n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.098
BindingDB Entry DOI: 10.7270/Q2HD7SXP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11912
PNG
((2S)-2-amino-N-(cyanomethyl)-2-(3,5-dihydroxyadama...)
Show SMILES [H][C@@](N)(C(=O)N(C)CC#N)[C@@]12CC3CC(O)(CC(O)(C3)C1)C2 |r,TLB:18:17:11:14.21.13,13:14:20:19.11.12,THB:15:14:20:19.11.12,15:14:11:20.19.17,16:14:11:20.19.17,16:17:11:14.21.13,13:12:20:14.21.16|
Show InChI InChI=1S/C15H23N3O3/c1-18(3-2-16)12(19)11(17)13-4-10-5-14(20,7-13)9-15(21,6-10)8-13/h10-11,20-21H,3-9,17H2,1H3/t10?,11-,13-,14?,15?/m1/s1
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23 -43.2n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.098
BindingDB Entry DOI: 10.7270/Q2HD7SXP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM50146000
PNG
((1S,5S)-2-((S)-2-Amino-3-methyl-pentanoyl)-2-aza-b...)
Show SMILES CCC(C)[C@H](N)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C12H19N3O/c1-3-7(2)11(14)12(16)15-9(6-13)4-8-5-10(8)15/h7-11H,3-5,14H2,1-2H3/t7?,8-,9?,10+,11+/m1/s1
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25n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11905
PNG
((2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-...)
Show SMILES [H][C@@](N)(C(=O)N(CC)CC#N)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:14:15:19:18.12.13,THB:16:15:12:19.18.17,16:17:12:15.20.14,14:13:19:15.20.16|
Show InChI InChI=1S/C16H25N3O/c1-2-19(4-3-17)15(20)14(18)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-14H,2,4-10,18H2,1H3/t11?,12?,13?,14-,16-/m1/s1
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27 -42.8n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.098
BindingDB Entry DOI: 10.7270/Q2HD7SXP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM50146004
PNG
((1R,5R)-2-((S)-2-Amino-3-methyl-butyryl)-2-aza-bic...)
Show SMILES CC(C)[C@H](N)C(=O)N1[C@@H]2C[C@@H]2CC1C#N
Show InChI InChI=1S/C11H17N3O/c1-6(2)10(13)11(15)14-8(5-12)3-7-4-9(7)14/h6-10H,3-4,13H2,1-2H3/t7-,8?,9+,10-/m0/s1
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29n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11907
PNG
((2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-...)
Show SMILES [H][C@@](N)(C(=O)N(CC=C)CC#N)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:15:16:20:19.13.14,THB:17:16:13:20.19.18,17:18:13:16.21.15,15:14:20:16.21.17|
Show InChI InChI=1S/C17H25N3O/c1-2-4-20(5-3-18)16(21)15(19)17-9-12-6-13(10-17)8-14(7-12)11-17/h2,12-15H,1,4-11,19H2/t12?,13?,14?,15-,17-/m1/s1
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37 -42.0n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.098
BindingDB Entry DOI: 10.7270/Q2HD7SXP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM11920
PNG
((1S,3S,5S)-2-{[(2S)-3,3-dimethylpyrrolidin-2-yl]ca...)
Show SMILES CC1(C)CCN[C@@H]1C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
Show InChI InChI=1S/C13H19N3O/c1-13(2)3-4-15-11(13)12(17)16-9(7-14)5-8-6-10(8)16/h8-11,15H,3-6H2,1-2H3/t8-,9+,10+,11-/m1/s1
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37 -42.0n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM11927
PNG
(4-chloro-N-[(3S,5S)-5-{[(1S,3S,5S)-3-cyano-2-azabi...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N[C@@H]1CN[C@@H](C1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
Show InChI InChI=1S/C17H19ClN4O3S/c18-11-1-3-14(4-2-11)26(24,25)21-12-7-15(20-9-12)17(23)22-13(8-19)5-10-6-16(10)22/h1-4,10,12-13,15-16,20-21H,5-7,9H2/t10-,12+,13+,15+,16+/m1/s1
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39 -41.9n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM11917
PNG
((1S,3S,5S)-2-[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-...)
Show SMILES O=C([C@H]1NC[C@@H]2C[C@H]12)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
Show InChI InChI=1S/C12H15N3O/c13-4-8-1-6-3-10(6)15(8)12(16)11-9-2-7(9)5-14-11/h6-11,14H,1-3,5H2/t6-,7+,8+,9+,10+,11+/m1/s1
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52 -41.2n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM11925
PNG
(9H-fluoren-9-ylmethyl N-[(3S,5S)-5-{[(1S,3S,5S)-3-...)
Show SMILES O=C(N[C@@H]1CN[C@@H](C1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)OCC1c2ccccc2-c2ccccc12 |r|
Show InChI InChI=1S/C26H26N4O3/c27-12-17-9-15-10-24(15)30(17)25(31)23-11-16(13-28-23)29-26(32)33-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,15-17,22-24,28H,9-11,13-14H2,(H,29,32)/t15-,16+,17+,23+,24+/m1/s1
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57 -40.9n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM50146006
PNG
((1S,5S)-2-((S)-2-Amino-3-phenyl-propionyl)-2-aza-b...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C15H17N3O/c16-9-12-7-11-8-14(11)18(12)15(19)13(17)6-10-4-2-1-3-5-10/h1-5,11-14H,6-8,17H2/t11-,12?,13+,14+/m1/s1
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65n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11904
PNG
((2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-...)
Show SMILES [H][C@@](N)(C(=O)N(C)CC#N)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:13:14:18:17.11.12,THB:15:14:11:18.17.16,15:16:11:14.19.13,13:12:18:14.19.15|
Show InChI InChI=1S/C15H23N3O/c1-18(3-2-16)14(19)13(17)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-13H,3-9,17H2,1H3/t10?,11?,12?,13-,15-/m1/s1
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74 -40.3n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.098
BindingDB Entry DOI: 10.7270/Q2HD7SXP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM50146001
PNG
((1S,5S)-2-((S)-1-Amino-pyrrolidine-2-carbonyl)-2-a...)
Show SMILES NN1CCC[C@H]1C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C11H16N4O/c12-6-8-4-7-5-10(7)15(8)11(16)9-2-1-3-14(9)13/h7-10H,1-5,13H2/t7-,8?,9+,10+/m1/s1
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107n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM11919
PNG
((1S,3S,5S)-2-{[(2S,3S)-3-methylpyrrolidin-2-yl]car...)
Show SMILES C[C@H]1CCN[C@@H]1C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
Show InChI InChI=1S/C12H17N3O/c1-7-2-3-14-11(7)12(16)15-9(6-13)4-8-5-10(8)15/h7-11,14H,2-5H2,1H3/t7-,8+,9-,10-,11-/m0/s1
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126 -39.0n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM11926
PNG
(N-[(3S,5S)-5-{[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1...)
Show SMILES CC(C)(C)CC(=O)N[C@@H]1CN[C@@H](C1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
Show InChI InChI=1S/C17H26N4O2/c1-17(2,3)7-15(22)20-11-6-13(19-9-11)16(23)21-12(8-18)4-10-5-14(10)21/h10-14,19H,4-7,9H2,1-3H3,(H,20,22)/t10-,11+,12+,13+,14+/m1/s1
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133 -38.9n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM50146012
PNG
((1S,5S)-2-((S)-2-Amino-4-methylsulfanyl-butyryl)-2...)
Show SMILES CSCC[C@H](N)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C11H17N3OS/c1-16-3-2-9(13)11(15)14-8(6-12)4-7-5-10(7)14/h7-10H,2-5,13H2,1H3/t7-,8?,9+,10+/m1/s1
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135n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM11923
PNG
(substituted diprolyl nitrile 16 | tert-butyl N-[(3...)
Show SMILES CC(C)(C)OC(=O)N[C@@H]1CN[C@@H](C1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
Show InChI InChI=1S/C16H24N4O3/c1-16(2,3)23-15(22)19-10-6-12(18-8-10)14(21)20-11(7-17)4-9-5-13(9)20/h9-13,18H,4-6,8H2,1-3H3,(H,19,22)/t9-,10+,11+,12+,13+/m1/s1
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140 -38.7n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11896
PNG
((2S)-2-amino-N-(cyanomethyl)-N-cyclobutyl-3,3-dime...)
Show SMILES [H][C@@](N)(C(=O)N(CC#N)C1CCC1)C(C)(C)C |r|
Show InChI InChI=1S/C12H21N3O/c1-12(2,3)10(14)11(16)15(8-7-13)9-5-4-6-9/h9-10H,4-6,8,14H2,1-3H3/t10-/m1/s1
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140 -38.7n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.098
BindingDB Entry DOI: 10.7270/Q2HD7SXP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11892
PNG
((2S)-2-amino-N-(cyanomethyl)-N-ethyl-3,3-dimethylb...)
Show SMILES [H][C@@](N)(C(=O)N(CC)CC#N)C(C)(C)C |r|
Show InChI InChI=1S/C10H19N3O/c1-5-13(7-6-11)9(14)8(12)10(2,3)4/h8H,5,7,12H2,1-4H3/t8-/m1/s1
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182 -38.1n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.098
BindingDB Entry DOI: 10.7270/Q2HD7SXP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11908
PNG
((2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-...)
Show SMILES [H][C@@](N)(C(=O)N(CC#N)C1CC1)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:15:16:20:19.13.14,THB:17:16:13:20.19.18,17:18:13:16.21.15,15:14:20:16.21.17|
Show InChI InChI=1S/C17H25N3O/c18-3-4-20(14-1-2-14)16(21)15(19)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-15H,1-2,4-10,19H2/t11?,12?,13?,15-,17-/m1/s1
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188 -38.0n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.098
BindingDB Entry DOI: 10.7270/Q2HD7SXP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11894
PNG
((2S)-2-amino-N-(cyanomethyl)-3,3-dimethyl-N-(prop-...)
Show SMILES [H][C@@](N)(C(=O)N(CC=C)CC#N)C(C)(C)C |r|
Show InChI InChI=1S/C11H19N3O/c1-5-7-14(8-6-12)10(15)9(13)11(2,3)4/h5,9H,1,7-8,13H2,2-4H3/t9-/m1/s1
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212 -37.7n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.098
BindingDB Entry DOI: 10.7270/Q2HD7SXP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM50145998
PNG
((1S,5S)-2-[(S)-2-Amino-3-(1H-indol-3-yl)-propionyl...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C17H18N4O/c18-8-12-5-10-7-16(10)21(12)17(22)14(19)6-11-9-20-15-4-2-1-3-13(11)15/h1-4,9-10,12,14,16,20H,5-7,19H2/t10-,12?,14+,16+/m1/s1
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230n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11890
PNG
((2S)-2-amino-N-(cyanomethyl)-N,3-dimethylbutanamid...)
Show SMILES [H][C@](N)(C(C)C)C(=O)N(C)CC#N |r|
Show InChI InChI=1S/C8H15N3O/c1-6(2)7(10)8(12)11(3)5-4-9/h6-7H,5,10H2,1-3H3/t7-/m0/s1
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260 -37.2n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.098
BindingDB Entry DOI: 10.7270/Q2HD7SXP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM11921
PNG
((1S,3S,5S)-2-{[(2S,3S)-3-ethylpyrrolidin-2-yl]carb...)
Show SMILES CC[C@H]1CCN[C@@H]1C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
Show InChI InChI=1S/C13H19N3O/c1-2-8-3-4-15-12(8)13(17)16-10(7-14)5-9-6-11(9)16/h8-12,15H,2-6H2,1H3/t8-,9+,10-,11-,12-/m0/s1
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PubMed
290 -36.9n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM11914
PNG
((1S,3S,5S)-2-[(2S)-pyrrolidin-2-ylcarbonyl]-2-azab...)
Show SMILES O=C([C@@H]1CCCN1)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
Show InChI InChI=1S/C11H15N3O/c12-6-8-4-7-5-10(7)14(8)11(15)9-2-1-3-13-9/h7-10,13H,1-5H2/t7-,8+,9+,10+/m1/s1
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305 -36.8n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11901
PNG
((2S)-2-(adamantan-1-yl)-2-amino-N-[(1S)-1-cyanoeth...)
Show SMILES [H][C@@](N)(C(=O)N[C@@H](C)C#N)C12CC3CC(CC(C3)C1)C2 |r,TLB:17:16:19:11.13.12,17:12:19:16.18.15,THB:15:16:11:13.19.14,15:14:11:16.18.17|
Show InChI InChI=1S/C15H23N3O/c1-9(8-16)18-14(19)13(17)15-5-10-2-11(6-15)4-12(3-10)7-15/h9-13H,2-7,17H2,1H3,(H,18,19)/t9-,10?,11?,12?,13+,15?/m0/s1
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399 -36.2n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.098
BindingDB Entry DOI: 10.7270/Q2HD7SXP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM11924
PNG
(substituted diprolyl nitrile 17 | tert-butyl N-[(3...)
Show SMILES CC(C)(C)OC(=O)N[C@H]1CN[C@@H](C1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
Show InChI InChI=1S/C16H24N4O3/c1-16(2,3)23-15(22)19-10-6-12(18-8-10)14(21)20-11(7-17)4-9-5-13(9)20/h9-13,18H,4-6,8H2,1-3H3,(H,19,22)/t9-,10-,11+,12+,13+/m1/s1
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492 -35.6n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11891
PNG
((2S)-2-amino-N-(cyanomethyl)-N,3,3-trimethylbutana...)
Show SMILES [H][C@@](N)(C(=O)N(C)CC#N)C(C)(C)C |r|
Show InChI InChI=1S/C9H17N3O/c1-9(2,3)7(11)8(13)12(4)6-5-10/h7H,6,11H2,1-4H3/t7-/m1/s1
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507 -35.6n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.098
BindingDB Entry DOI: 10.7270/Q2HD7SXP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11897
PNG
((2S)-2-amino-N-[(1S)-1-cyanoethyl]-N,3,3-trimethyl...)
Show SMILES [H][C@@](N)(C(=O)N(C)[C@@H](C)C#N)C(C)(C)C |r|
Show InChI InChI=1S/C10H19N3O/c1-7(6-11)13(5)9(14)8(12)10(2,3)4/h7-8H,12H2,1-5H3/t7-,8+/m0/s1
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513 -35.5n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.098
BindingDB Entry DOI: 10.7270/Q2HD7SXP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11906
PNG
((2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-...)
Show SMILES [H][C@@](N)(C(=O)N(CCC)CC#N)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:15:16:20:19.13.14,THB:17:16:13:20.19.18,17:18:13:16.21.15,15:14:20:16.21.17|
Show InChI InChI=1S/C17H27N3O/c1-2-4-20(5-3-18)16(21)15(19)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,2,4-11,19H2,1H3/t12?,13?,14?,15-,17-/m1/s1
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673 -34.9n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.098
BindingDB Entry DOI: 10.7270/Q2HD7SXP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM11922
PNG
((1S,3S,5S)-2-{[(2S,3R)-3-(propan-2-yl)pyrrolidin-2...)
Show SMILES CC(C)[C@H]1CCN[C@@H]1C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
Show InChI InChI=1S/C14H21N3O/c1-8(2)11-3-4-16-13(11)14(18)17-10(7-15)5-9-6-12(9)17/h8-13,16H,3-6H2,1-2H3/t9-,10+,11-,12+,13+/m1/s1
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695 -34.8n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11895
PNG
((2S)-2-amino-N-(cyanomethyl)-N-cyclopropyl-3,3-dim...)
Show SMILES [H][C@@](N)(C(=O)N(CC#N)C1CC1)C(C)(C)C |r|
Show InChI InChI=1S/C11H19N3O/c1-11(2,3)9(13)10(15)14(7-6-12)8-4-5-8/h8-9H,4-5,7,13H2,1-3H3/t9-/m1/s1
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PubMed
1.31E+3 -33.2n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.098
BindingDB Entry DOI: 10.7270/Q2HD7SXP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM50145994
PNG
((1R,5R)-2-((S)-2-Amino-3-methyl-pentanoyl)-2-aza-b...)
Show SMILES CCC(C)[C@H](N)C(=O)N1[C@@H]2C[C@@H]2CC1C#N
Show InChI InChI=1S/C12H19N3O/c1-3-7(2)11(14)12(16)15-9(6-13)4-8-5-10(8)15/h7-11H,3-5,14H2,1-2H3/t7?,8-,9?,10+,11-/m0/s1
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PubMed
1.62E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM50145995
PNG
((1S,5S)-2-((S)-3-Methyl-2-methylamino-butyryl)-2-a...)
Show SMILES CN[C@@H](C(C)C)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C12H19N3O/c1-7(2)11(14-3)12(16)15-9(6-13)4-8-5-10(8)15/h7-11,14H,4-5H2,1-3H3/t8-,9?,10+,11+/m1/s1
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PubMed
1.94E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11899
PNG
((2S)-2-amino-N-[(1S)-1-cyanoethyl]-3,3-dimethylbut...)
Show SMILES [H][C@@](N)(C(=O)N[C@@H](C)C#N)C(C)(C)C |r|
Show InChI InChI=1S/C9H17N3O/c1-6(5-10)12-8(13)7(11)9(2,3)4/h6-7H,11H2,1-4H3,(H,12,13)/t6-,7+/m0/s1
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PubMed
4.42E+3 -30.3n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.098
BindingDB Entry DOI: 10.7270/Q2HD7SXP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM50146011
PNG
((1S,5R)-2-((S)-2-Amino-3-methyl-pentanoyl)-2-aza-b...)
Show SMILES CCC(C)[C@H](N)C(=O)N1CC[C@@H]2C[C@]12C#N
Show InChI InChI=1S/C12H19N3O/c1-3-8(2)10(14)11(16)15-5-4-9-6-12(9,15)7-13/h8-10H,3-6,14H2,1-2H3/t8?,9-,10+,12-/m1/s1
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PubMed
7.50E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
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