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Compile Data Set for Download or QSAR

Found 396 hits with Last Name = 'augeri' and Initial = 'dj'   
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))
BDBM50225074
PNG
((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2
Show InChI InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6476-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.090
BindingDB Entry DOI: 10.7270/Q2B56JGM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11542
PNG
((1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxyadamantan-1...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2
Show InChI InChI=1/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/s2
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0.600 -52.1n/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...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50205111
PNG
(3-chloro-4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydr...)
Show SMILES Cc1c(Cl)c(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O
Show InChI InChI=1S/C14H12ClN3O3/c1-7-8(6-16)2-3-9(11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,19-20H,4-5H2,1H3/t10-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human AR


Bioorg Med Chem Lett 17: 1860-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.076
BindingDB Entry DOI: 10.7270/Q2S46RN1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11541
PNG
((1S,3S,5S)-2-[(2S)-2-(adamantan-1-yl)-2-aminoacety...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1/C18H25N3O/c19-9-14-4-13-5-15(13)21(14)17(22)16(20)18-6-10-1-11(7-18)3-12(2-10)8-18/h10-16H,1-8,20H2/t10?,11?,12?,13-,14+,15+,16-,18?/s2
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0.900 -51.1n/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...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50205116
PNG
(2-bromo-4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro...)
Show SMILES Cc1c(Br)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N
Show InChI InChI=1S/C14H12BrN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,19-20H,4-5H2,1H3/t10-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human AR


Bioorg Med Chem Lett 17: 1860-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.076
BindingDB Entry DOI: 10.7270/Q2S46RN1
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50205114
PNG
(2-fluoro-4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydr...)
Show SMILES Cc1c(F)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N
Show InChI InChI=1S/C14H12FN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,19-20H,4-5H2,1H3/t10-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human AR


Bioorg Med Chem Lett 17: 1860-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.076
BindingDB Entry DOI: 10.7270/Q2S46RN1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11530
PNG
((1S,3S,5S)-2-[(2S)-2-amino-2-(1-ethenylcyclohexyl)...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCCCC1)C=C
Show InChI InChI=1/C16H23N3O/c1-2-16(6-4-3-5-7-16)14(18)15(20)19-12(10-17)8-11-9-13(11)19/h2,11-14H,1,3-9,18H2/t11-,12+,13+,14-/s2
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1.40 -50.0n/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...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50205096
PNG
(2-chloro-4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydr...)
Show SMILES O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c(Cl)c1)c2=O
Show InChI InChI=1S/C13H10ClN3O3/c14-9-5-8(2-1-7(9)6-15)17-12(19)11-10(18)3-4-16(11)13(17)20/h1-2,5,10,18-19H,3-4H2/t10-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human AR


Bioorg Med Chem Lett 17: 1860-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.076
BindingDB Entry DOI: 10.7270/Q2S46RN1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11544
PNG
((1S,3S,5S)-2-[(2S)-2-amino-2-(3-fluoroadamantan-1-...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(F)(C3)C1)C2
Show InChI InChI=1/C18H24FN3O/c19-18-6-10-1-11(7-18)5-17(4-10,9-18)15(21)16(23)22-13(8-20)2-12-3-14(12)22/h10-15H,1-7,9,21H2/t10?,11?,12-,13+,14+,15-,17?,18?/s2
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1.80 -49.4n/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...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(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))
BDBM11543
PNG
((1S,3S,5S)-2-[(2S)-2-amino-2-(3,5-dihydroxyadamant...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(O)(CC(O)(C3)C1)C2
Show InChI InChI=1/C18H25N3O3/c19-6-12-1-11-2-13(11)21(12)15(22)14(20)16-3-10-4-17(23,7-16)9-18(24,5-10)8-16/h10-14,23-24H,1-5,7-9,20H2/t10?,11-,12+,13+,14-,16?,17?,18?/s2
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2.10 -49.0n/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...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18173
PNG
(4-[(7R,7aS)-7-hydroxy-1,3-dioxo-hexahydro-1H-pyrro...)
Show SMILES Cc1c(Cl)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N
Show InChI InChI=1/C14H12ClN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,19-20H,4-5H2,1H3/t10-/s2
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Article
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2.10n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human AR


Bioorg Med Chem Lett 17: 1860-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.076
BindingDB Entry DOI: 10.7270/Q2S46RN1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50205100
PNG
(4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...)
Show SMILES Cc1c(ccc(C#N)c1C(F)(F)F)-n1c(O)c2[C@H](O)CCn2c1=O
Show InChI InChI=1S/C15H12F3N3O3/c1-7-9(3-2-8(6-19)11(7)15(16,17)18)21-13(23)12-10(22)4-5-20(12)14(21)24/h2-3,10,22-23H,4-5H2,1H3/t10-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human AR


Bioorg Med Chem Lett 17: 1860-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.076
BindingDB Entry DOI: 10.7270/Q2S46RN1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50225073
PNG
((S)-2-amino-1-(1S,5R)-2-aza-bicyclo[3.1.0]hex-2-yl...)
Show SMILES CC12CC3(C)CC(O)(C1)CC(C2)(C3)[C@H](N)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C19H30N2O2/c1-16-6-17(2)8-18(7-16,11-19(23,9-16)10-17)14(20)15(22)21-4-3-12-5-13(12)21/h12-14,23H,3-11,20H2,1-2H3/t12-,13+,14-,16?,17?,18?,19?/m1/s1
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2.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6476-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.090
BindingDB Entry DOI: 10.7270/Q2B56JGM
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50205113
PNG
(2-chloro-3-fluoro-4-((7R,7aS)-7-hydroxy-1,3-dioxo-...)
Show SMILES O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c(Cl)c1F)c2=O
Show InChI InChI=1S/C13H9ClFN3O3/c14-9-6(5-16)1-2-7(10(9)15)18-12(20)11-8(19)3-4-17(11)13(18)21/h1-2,8,19-20H,3-4H2/t8-/m1/s1
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3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human AR


Bioorg Med Chem Lett 17: 1860-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.076
BindingDB Entry DOI: 10.7270/Q2S46RN1
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18171
PNG
(4-[(7R,7aS)-7-hydroxy-1,3-dioxo-hexahydro-1H-pyrro...)
Show SMILES O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c3ccccc13)c2=O
Show InChI InChI=1/C17H13N3O3/c18-9-10-5-6-13(12-4-2-1-3-11(10)12)20-16(22)15-14(21)7-8-19(15)17(20)23/h1-6,14,21-22H,7-8H2/t14-/s2
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3.20n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human AR


Bioorg Med Chem Lett 17: 1860-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.076
BindingDB Entry DOI: 10.7270/Q2S46RN1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50205102
PNG
(3-ethyl-4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro...)
Show SMILES CCc1c(ccc(C#N)c1C(F)(F)F)-n1c(O)c2[C@H](O)CCn2c1=O
Show InChI InChI=1S/C16H14F3N3O3/c1-2-9-10(4-3-8(7-20)12(9)16(17,18)19)22-14(24)13-11(23)5-6-21(13)15(22)25/h3-4,11,23-24H,2,5-6H2,1H3/t11-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human AR


Bioorg Med Chem Lett 17: 1860-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.076
BindingDB Entry DOI: 10.7270/Q2S46RN1
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50205103
PNG
(4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...)
Show SMILES COc1c(C)c(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O
Show InChI InChI=1S/C15H15N3O4/c1-8-10(4-3-9(7-16)13(8)22-2)18-14(20)12-11(19)5-6-17(12)15(18)21/h3-4,11,19-20H,5-6H2,1-2H3/t11-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human AR


Bioorg Med Chem Lett 17: 1860-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.076
BindingDB Entry DOI: 10.7270/Q2S46RN1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11529
PNG
((1S,3S,5S)-2-[(2S)-2-amino-2-(1-ethenylcyclopentyl...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCCC1)C=C
Show InChI InChI=1/C15H21N3O/c1-2-15(5-3-4-6-15)13(17)14(19)18-11(9-16)7-10-8-12(10)18/h2,10-13H,1,3-8,17H2/t10-,11+,12+,13-/s2
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3.90 -47.5n/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...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(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
Androgen Receptor


(Homo sapiens (Human))
BDBM50205104
PNG
(2,3-difluoro-4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetra...)
Show SMILES O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c(F)c1F)c2=O
Show InChI InChI=1S/C13H9F2N3O3/c14-9-6(5-16)1-2-7(10(9)15)18-12(20)11-8(19)3-4-17(11)13(18)21/h1-2,8,19-20H,3-4H2/t8-/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human AR


Bioorg Med Chem Lett 17: 1860-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.076
BindingDB Entry DOI: 10.7270/Q2S46RN1
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50205098
PNG
(4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...)
Show SMILES Cc1c(C)c(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O
Show InChI InChI=1S/C15H15N3O3/c1-8-9(2)11(4-3-10(8)7-16)18-14(20)13-12(19)5-6-17(13)15(18)21/h3-4,12,19-20H,5-6H2,1-2H3/t12-/m1/s1
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4.5n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human AR


Bioorg Med Chem Lett 17: 1860-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.076
BindingDB Entry DOI: 10.7270/Q2S46RN1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11535
PNG
((1S,3S,5S)-2-[(2S)-2-amino-2-(1-ethylcyclopentyl)a...)
Show SMILES CCC1(CCCC1)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N
Show InChI InChI=1/C15H23N3O/c1-2-15(5-3-4-6-15)13(17)14(19)18-11(9-16)7-10-8-12(10)18/h10-13H,2-8,17H2,1H3/t10-,11+,12+,13-/s2
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5.5 -46.7n/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...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50205107
PNG
(3-chloro-4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydr...)
Show SMILES COc1c(Cl)c(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O
Show InChI InChI=1S/C14H12ClN3O4/c1-22-12-7(6-16)2-3-8(10(12)15)18-13(20)11-9(19)4-5-17(11)14(18)21/h2-3,9,19-20H,4-5H2,1H3/t9-/m1/s1
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6.10n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human AR


Bioorg Med Chem Lett 17: 1860-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.076
BindingDB Entry DOI: 10.7270/Q2S46RN1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(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 IV


(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


(Homo sapiens (Human))
BDBM11533
PNG
((1S,3S,5S)-2-[(2S)-2-amino-3,3-dimethylpentanoyl]-...)
Show SMILES CCC(C)(C)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N
Show InChI InChI=1/C13H21N3O/c1-4-13(2,3)11(15)12(17)16-9(7-14)5-8-6-10(8)16/h8-11H,4-6,15H2,1-3H3/t8-,9+,10+,11-/s2
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7.10 -46.0n/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...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11538
PNG
((1S,3S,5S)-2-[(2S)-2-amino-2-[1-(hydroxymethyl)cyc...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CO)CCCC1
Show InChI InChI=1/C14H21N3O2/c15-7-10-5-9-6-11(9)17(10)13(19)12(16)14(8-18)3-1-2-4-14/h9-12,18H,1-6,8,16H2/t9-,10+,11+,12-/s2
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7.40 -45.9n/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...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50205101
PNG
(4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...)
Show SMILES O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c(c1)C(F)(F)F)c2=O
Show InChI InChI=1S/C14H10F3N3O3/c15-14(16,17)9-5-8(2-1-7(9)6-18)20-12(22)11-10(21)3-4-19(11)13(20)23/h1-2,5,10,21-22H,3-4H2/t10-/m1/s1
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7.80n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human AR


Bioorg Med Chem Lett 17: 1860-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.076
BindingDB Entry DOI: 10.7270/Q2S46RN1
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50205110
PNG
(4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...)
Show SMILES COc1c(ccc(C#N)c1C(F)(F)F)-n1c(O)c2[C@H](O)CCn2c1=O
Show InChI InChI=1S/C15H12F3N3O4/c1-25-12-8(3-2-7(6-19)10(12)15(16,17)18)21-13(23)11-9(22)4-5-20(11)14(21)24/h2-3,9,22-23H,4-5H2,1H3/t9-/m1/s1
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7.90n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human AR


Bioorg Med Chem Lett 17: 1860-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.076
BindingDB Entry DOI: 10.7270/Q2S46RN1
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50205112
PNG
(4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...)
Show SMILES Cc1c(ccc(C#N)c1C#N)-n1c(O)c2[C@H](O)CCn2c1=O
Show InChI InChI=1S/C15H12N4O3/c1-8-10(7-17)9(6-16)2-3-11(8)19-14(21)13-12(20)4-5-18(13)15(19)22/h2-3,12,20-21H,4-5H2,1H3/t12-/m1/s1
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8n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human AR


Bioorg Med Chem Lett 17: 1860-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.076
BindingDB Entry DOI: 10.7270/Q2S46RN1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(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


(Homo sapiens (Human))
BDBM11539
PNG
((1S,3S,5S)-2-[(2S)-2-amino-2-[1-(hydroxymethyl)cyc...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CO)CCCCC1
Show InChI InChI=1/C15H23N3O2/c16-8-11-6-10-7-12(10)18(11)14(20)13(17)15(9-19)4-2-1-3-5-15/h10-13,19H,1-7,9,17H2/t10-,11+,12+,13-/s2
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8 -45.7n/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...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(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
Androgen Receptor


(Homo sapiens (Human))
BDBM50205099
PNG
(4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...)
Show SMILES COc1c(C)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N
Show InChI InChI=1S/C15H15N3O4/c1-8-9(7-16)3-4-10(13(8)22-2)18-14(20)12-11(19)5-6-17(12)15(18)21/h3-4,11,19-20H,5-6H2,1-2H3/t11-/m1/s1
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8.10n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human AR


Bioorg Med Chem Lett 17: 1860-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.076
BindingDB Entry DOI: 10.7270/Q2S46RN1
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50205115
PNG
(4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...)
Show SMILES Cc1cc(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N
Show InChI InChI=1S/C14H13N3O3/c1-8-6-9(7-15)2-3-10(8)17-13(19)12-11(18)4-5-16(12)14(17)20/h2-3,6,11,18-19H,4-5H2,1H3/t11-/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human AR


Bioorg Med Chem Lett 17: 1860-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.076
BindingDB Entry DOI: 10.7270/Q2S46RN1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11531
PNG
((1S,3S,5S)-2-[(2S)-2-amino-2-(1-ethenylcycloheptyl...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCCCCC1)C=C
Show InChI InChI=1/C17H25N3O/c1-2-17(7-5-3-4-6-8-17)15(19)16(21)20-13(11-18)9-12-10-14(12)20/h2,12-15H,1,3-10,19H2/t12-,13+,14+,15-/s2
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10 -45.2n/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...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11532
PNG
((1S,3S,5S)-2-[(2S)-2-amino-2-(4-ethenyloxan-4-yl)a...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCOCC1)C=C
Show InChI InChI=1/C15H21N3O2/c1-2-15(3-5-20-6-4-15)13(17)14(19)18-11(9-16)7-10-8-12(10)18/h2,10-13H,1,3-8,17H2/t10-,11+,12+,13-/s2
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10 -45.2n/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...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50225053
PNG
(2-(S)-amino-1-(1S,5R)-2-aza-bicyclo[3.1.0]hex-2-yl...)
Show SMILES N[C@H](C(=O)N1CC[C@@H]2C[C@H]12)C12CC3CC(CC(O)(C3)C1)C2
Show InChI InChI=1S/C17H26N2O2/c18-14(15(20)19-2-1-12-4-13(12)19)16-5-10-3-11(6-16)8-17(21,7-10)9-16/h10-14,21H,1-9,18H2/t10?,11?,12-,13+,14-,16?,17?/m1/s1
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10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6476-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.090
BindingDB Entry DOI: 10.7270/Q2B56JGM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(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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PubMed
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


(Homo sapiens (Human))
BDBM11528
PNG
((1S,3S,5S)-2-[(2S)-2-amino-2-(1-ethenylcyclobutyl)...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCC1)C=C
Show InChI InChI=1/C14H19N3O/c1-2-14(4-3-5-14)12(16)13(18)17-10(8-15)6-9-7-11(9)17/h2,9-12H,1,3-7,16H2/t9-,10+,11+,12-/s2
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PubMed
12 -44.8n/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...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(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 IV


(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
Androgen Receptor


(Homo sapiens (Human))
BDBM50205097
PNG
(3-ethyl-4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro...)
Show SMILES CCc1cc(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N
Show InChI InChI=1S/C15H15N3O3/c1-2-10-7-9(8-16)3-4-11(10)18-14(20)13-12(19)5-6-17(13)15(18)21/h3-4,7,12,19-20H,2,5-6H2,1H3/t12-/m1/s1
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14n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human AR


Bioorg Med Chem Lett 17: 1860-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.076
BindingDB Entry DOI: 10.7270/Q2S46RN1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(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


(Homo sapiens (Human))
BDBM50225049
PNG
(2-(S)-amino-1-(1S,5R)-2-aza-bicyclo[3.1.0]hex-2-yl...)
Show SMILES N[C@H](C(=O)N1CC[C@@H]2C[C@H]12)C12CC3CC(O)(CC(O)(C3)C1)C2
Show InChI InChI=1S/C17H26N2O3/c18-13(14(20)19-2-1-11-3-12(11)19)15-4-10-5-16(21,7-15)9-17(22,6-10)8-15/h10-13,21-22H,1-9,18H2/t10?,11-,12+,13-,15?,16?,17?/m1/s1
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PubMed
14n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6476-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.090
BindingDB Entry DOI: 10.7270/Q2B56JGM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(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 IV


(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))
BDBM11536
PNG
((1S,3S,5S)-2-[(2S)-2-amino-2-(4-ethyloxan-4-yl)ace...)
Show SMILES CCC1(CCOCC1)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N
Show InChI InChI=1/C15H23N3O2/c1-2-15(3-5-20-6-4-15)13(17)14(19)18-11(9-16)7-10-8-12(10)18/h10-13H,2-8,17H2,1H3/t10-,11+,12+,13-/s2
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21 -43.4n/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...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50205108
PNG
(8-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...)
Show SMILES O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c3cccnc13)c2=O
Show InChI InChI=1S/C16H12N4O3/c17-8-9-3-4-11(13-10(9)2-1-6-18-13)20-15(22)14-12(21)5-7-19(14)16(20)23/h1-4,6,12,21-22H,5,7H2/t12-/m1/s1
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21n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human AR


Bioorg Med Chem Lett 17: 1860-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.076
BindingDB Entry DOI: 10.7270/Q2S46RN1
More data for this
Ligand-Target Pair
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