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Compile Data Set for Download or QSAR

Found 574 hits with Last Name = 'bolton' and Initial = 's'   
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 |TLB:1:12:15:20.18.17,THB:13:14:17:22.12.21,13:12:15.14.20:17,21:12:15:20.18.17,21:18:15:22.13.12,19:18:15:22.13.12|
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))
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 |w:1.0,3.3,TLB:12:10:8:5.3.2,13:10:8:5.3.2,THB:12:3:9.10.11:8,2:3:9:11.1.8,2:1:9:5.12.3,TEB:4:3:9:11.1.8,4:3:9.10.11:8,0:1:9:5.12.3,0:1:5:9.10.12|
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
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 |w:12.20,14.23,TLB:13:14:19:18.11.12,THB:1:10:15:18.12.13,11:10:15:18.12.13,11:12:19.10.20:15,13:12:19:20.14.15,TEB:20:14:18:19.10.11|
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 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 |w:14.16,17.19,TLB:19:12:21:20.17.16,19:17:21:13.11.12,THB:1:10:16:13.12.19,11:10:16:13.12.19,11:12:21.10.20:16,TEB:18:17:21:13.11.12,18:17:13:21.10.11|
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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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 4


(Homo sapiens (Human))
BDBM50225050
PNG
((S)-2-amino-2-(3-hydroxy-adamantan-1-yl)-1-thiazol...)
Show SMILES N[C@H](C(=O)N1CCSC1)C12CC3CC(CC(O)(C3)C1)C2 |w:11.12,13.13,THB:1:9:14:17.11.12,10:9:14:17.11.12,10:11:18.9.19:14,TEB:12:11:18:19.13.14,12:13:18:17.10.11|
Show InChI InChI=1S/C15H24N2O2S/c16-12(13(18)17-1-2-20-9-17)14-4-10-3-11(5-14)7-15(19,6-10)8-14/h10-12,19H,1-9,16H2/t10?,11?,12-,14?,15?/m1/s1
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28n/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))
BDBM50225045
PNG
((S)-2-amino-2-(3-hydroxy-adamantan-1-yl)-1-pyrroli...)
Show SMILES N[C@H](C(=O)N1CCCC1)C12CC3CC(CC(O)(C3)C1)C2 |w:11.12,13.13,THB:1:9:14:17.11.12,10:9:14:17.11.12,10:11:18.9.19:14,TEB:12:11:18:19.13.14,12:13:18:17.10.11|
Show InChI InChI=1S/C16H26N2O2/c17-13(14(19)18-3-1-2-4-18)15-6-11-5-12(7-15)9-16(20,8-11)10-15/h11-13,20H,1-10,17H2/t11?,12?,13-,15?,16?/m1/s1
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49n/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))
BDBM50225076
PNG
((S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-a...)
Show SMILES CC(C)C(C(C)C)[C@H](N)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C14H26N2O/c1-8(2)12(9(3)4)13(15)14(17)16-6-5-10-7-11(10)16/h8-13H,5-7,15H2,1-4H3/t10-,11+,13+/m1/s1
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112n/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))
BDBM50225055
PNG
((S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-a...)
Show SMILES CC1(C)CC(CC(C)(C)C1)[C@H](N)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C17H30N2O/c1-16(2)8-12(9-17(3,4)10-16)14(18)15(20)19-6-5-11-7-13(11)19/h11-14H,5-10,18H2,1-4H3/t11-,13+,14+/m1/s1
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152n/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))
BDBM50225070
PNG
((S)-2-amino-1-(3-aza-bicyclo[3.1.0]hex-3-yl)-2-(3,...)
Show SMILES N[C@H](C(=O)N1CC2CC2C1)C12CC3CC(O)(CC(O)(C3)C1)C2 |w:6.5,8.9,10.25,12.14,14.16,17.19,TLB:19:12:21:20.17.16,19:17:21:13.11.12,THB:11:10:16:13.12.19,11:12:21.10.20:16,1:10:16:13.12.19,TEB:18:17:21:13.11.12,18:17:13:21.10.11|
Show InChI InChI=1S/C17H26N2O3/c18-13(14(20)19-5-11-1-12(11)6-19)15-2-10-3-16(21,7-15)9-17(22,4-10)8-15/h10-13,21-22H,1-9,18H2/t10?,11?,12?,13-,15?,16?,17?/m1/s1
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270n/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))
BDBM50225071
PNG
((S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-a...)
Show SMILES CC(C)(C)[C@H](N)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C11H20N2O/c1-11(2,3)9(12)10(14)13-5-4-7-6-8(7)13/h7-9H,4-6,12H2,1-3H3/t7-,8+,9-/m1/s1
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356n/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))
BDBM50225077
PNG
((2S,3S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C11H20N2O/c1-3-7(2)10(12)11(14)13-5-4-8-6-9(8)13/h7-10H,3-6,12H2,1-2H3/t7-,8+,9-,10-/m0/s1
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530n/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))
BDBM50225051
PNG
((S)-2-amino-2-(3-hydroxy-5,7-dimethyl-adamantan-1-...)
Show SMILES CC12CC3(C)CC(O)(C1)CC(C2)(C3)[C@H](N)C(=O)N1CCCCC1 |w:1.0,3.3,TLB:12:10:8:5.3.2,13:10:8:5.3.2,THB:12:3:9.10.11:8,2:3:9:11.1.8,2:1:9:5.12.3,TEB:4:3:9:11.1.8,4:3:9.10.11:8,0:1:9:5.12.3,0:1:5:9.10.12|
Show InChI InChI=1S/C19H32N2O2/c1-16-8-17(2)10-18(9-16,13-19(23,11-16)12-17)14(20)15(22)21-6-4-3-5-7-21/h14,23H,3-13,20H2,1-2H3/t14-,16?,17?,18?,19?/m1/s1
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607n/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))
BDBM50225044
PNG
((2S,3R)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)...)
Show SMILES CC[C@@H](C)[C@H](N)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C11H20N2O/c1-3-7(2)10(12)11(14)13-5-4-8-6-9(8)13/h7-10H,3-6,12H2,1-2H3/t7-,8-,9+,10+/m1/s1
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731n/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))
BDBM50225060
PNG
((S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-a...)
Show SMILES N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C14H17ClN2O/c15-11-3-1-9(2-4-11)7-12(16)14(18)17-6-5-10-8-13(10)17/h1-4,10,12-13H,5-8,16H2/t10-,12+,13+/m1/s1
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877n/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))
BDBM50225058
PNG
((S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-a...)
Show SMILES CC(C)(C)C[C@H](N)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C12H22N2O/c1-12(2,3)7-9(13)11(15)14-5-4-8-6-10(8)14/h8-10H,4-7,13H2,1-3H3/t8-,9+,10+/m1/s1
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1.01E+3n/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))
BDBM50225075
PNG
((S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-a...)
Show SMILES CC(C)[C@H](N)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C10H18N2O/c1-6(2)9(11)10(13)12-4-3-7-5-8(7)12/h6-9H,3-5,11H2,1-2H3/t7-,8+,9+/m1/s1
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1.07E+3n/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))
BDBM50225046
PNG
((S)-2-amino-2-(3-hydroxy-adamantan-1-yl)-1-(1H-iso...)
Show SMILES N[C@H](C(=O)N1Cc2ccccc2C1)C12CC3CC(CC(O)(C3)C1)C2 |r,TLB:16:17:22:14.15.21,THB:16:15:22:23.17.18,18:19:14:23.17.16,18:17:14:19.22.21|
Show InChI InChI=1S/C20H26N2O2/c21-17(18(23)22-10-15-3-1-2-4-16(15)11-22)19-6-13-5-14(7-19)9-20(24,8-13)12-19/h1-4,13-14,17,24H,5-12,21H2/t13?,14?,17-,19?,20?/m1/s1
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1.42E+3n/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))
BDBM50225059
PNG
(2-(S)-amino-1-(1R,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 |w:12.20,14.23,TLB:13:14:19:18.11.12,THB:1:10:15:18.12.13,11:10:15:18.12.13,11:12:19.10.20:15,13:12:19:20.14.15,TEB:20:14:18:19.10.11|
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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1.94E+3n/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))
BDBM50225061
PNG
((S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-a...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C14H18N2O2/c15-12(7-9-1-3-11(17)4-2-9)14(18)16-6-5-10-8-13(10)16/h1-4,10,12-13,17H,5-8,15H2/t10-,12+,13+/m1/s1
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3.01E+3n/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))
BDBM50225042
PNG
(1-(1S,5R)-2-aza-bicyclo[3.1.0]hex-2-yl-2-(3-hydrox...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CC[C@@H]2C[C@H]12 |w:3.2,5.7,TLB:4:3:10:7.5.6,4:5:10:2.9.3,6:1:9:7.5.4,0:1:9:7.5.4,THB:6:5:10.1.2:9,TEB:2:3:7:10.1.6|
Show InChI InChI=1S/C17H26N2O2/c20-15(19-2-1-13-4-14(13)19)9-18-16-5-11-3-12(6-16)8-17(21,7-11)10-16/h11-14,18,21H,1-10H2/t11?,12?,13-,14+,16?,17?/m1/s1
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3.08E+3n/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))
BDBM50225065
PNG
((S)-2-amino-1-(1S,5R)-2-aza-bicyclo[3.1.0]hex-2-yl...)
Show SMILES CCCC[C@H](N)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C11H20N2O/c1-2-3-4-9(12)11(14)13-6-5-8-7-10(8)13/h8-10H,2-7,12H2,1H3/t8-,9+,10+/m1/s1
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3.26E+3n/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))
BDBM50225057
PNG
((S)-2-amino-1-(4,5-dihydro-pyrazol-1-yl)-2-(3-hydr...)
Show SMILES N[C@H](C(=O)N1CCC=N1)C12CC3CC(CC(O)(C3)C1)C2 |c:7,TLB:12:13:18:17.10.11,THB:1:9:14:17.11.12,10:9:14:17.11.12,10:11:18.9.19:14,12:11:18:19.13.14|
Show InChI InChI=1S/C15H23N3O2/c16-12(13(19)18-3-1-2-17-18)14-5-10-4-11(6-14)8-15(20,7-10)9-14/h2,10-12,20H,1,3-9,16H2/t10?,11?,12-,14?,15?/m1/s1
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3.31E+3n/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))
BDBM50225040
PNG
((S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-a...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C14H18N2O/c15-12(8-10-4-2-1-3-5-10)14(17)16-7-6-11-9-13(11)16/h1-5,11-13H,6-9,15H2/t11-,12+,13+/m1/s1
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3.65E+3n/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))
BDBM50225066
PNG
((S)-2-amino-2-(3-hydroxy-adamantan-1-yl)-1-(2-meth...)
Show SMILES CC1CCCN1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2 |w:14.14,12.19,1.0,THB:8:10:15:18.12.13,11:10:15:18.12.13,11:12:19.10.20:15,13:12:19:20.14.15,TEB:13:14:19:18.11.12|
Show InChI InChI=1S/C17H28N2O2/c1-11-3-2-4-19(11)15(20)14(18)16-6-12-5-13(7-16)9-17(21,8-12)10-16/h11-14,21H,2-10,18H2,1H3/t11?,12?,13?,14-,16?,17?/m1/s1
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>1.00E+4n/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))
BDBM50225063
PNG
((S)-4-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-3-a...)
Show SMILES N[C@@H](CC(N)=O)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C9H15N3O2/c10-6(4-8(11)13)9(14)12-2-1-5-3-7(5)12/h5-7H,1-4,10H2,(H2,11,13)/t5-,6+,7+/m1/s1
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>1.00E+4n/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))
BDBM50225068
PNG
((S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-a...)
Show SMILES N[C@@H](CO)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C8H14N2O2/c9-6(4-11)8(12)10-2-1-5-3-7(5)10/h5-7,11H,1-4,9H2/t5-,6+,7+/m1/s1
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>1.00E+4n/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))
BDBM50225069
PNG
((S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-a...)
Show SMILES CC(C)C[C@H](N)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C11H20N2O/c1-7(2)5-9(12)11(14)13-4-3-8-6-10(8)13/h7-10H,3-6,12H2,1-2H3/t8-,9+,10+/m1/s1
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>1.00E+4n/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))
BDBM50225048
PNG
((S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-a...)
Show SMILES N[C@H](C(=O)N1CC[C@@H]2C[C@H]12)c1ccccc1
Show InChI InChI=1S/C13H16N2O/c14-12(9-4-2-1-3-5-9)13(16)15-7-6-10-8-11(10)15/h1-5,10-12H,6-8,14H2/t10-,11+,12+/m1/s1
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>1.00E+4n/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))
BDBM50225067
PNG
((S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-a...)
Show SMILES COC[C@H](N)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C9H16N2O2/c1-13-5-7(10)9(12)11-3-2-6-4-8(6)11/h6-8H,2-5,10H2,1H3/t6-,7+,8+/m1/s1
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>1.00E+4n/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))
BDBM50225043
PNG
((S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-a...)
Show SMILES N[C@@H](CCO)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C9H16N2O2/c10-7(2-4-12)9(13)11-3-1-6-5-8(6)11/h6-8,12H,1-5,10H2/t6-,7+,8+/m1/s1
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>1.00E+4n/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))
BDBM50225041
PNG
(CHEMBL236097 | N-((S)-6-((1S,5R)-2-aza-bicyclo[3.1...)
Show SMILES CC(=O)NCCCC[C@H](N)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C13H23N3O2/c1-9(17)15-6-3-2-4-11(14)13(18)16-7-5-10-8-12(10)16/h10-12H,2-8,14H2,1H3,(H,15,17)/t10-,11+,12+/m1/s1
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>1.00E+4n/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))
BDBM50225072
PNG
((S)-1-((1R,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-a...)
Show SMILES CC(C)(C)[C@H](N)C(=O)N1CC[C@@H]2C[C@@H]12
Show InChI InChI=1S/C11H20N2O/c1-11(2,3)9(12)10(14)13-5-4-7-6-8(7)13/h7-9H,4-6,12H2,1-3H3/t7-,8-,9-/m1/s1
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>1.00E+4n/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))
BDBM50225039
PNG
((S)-2-amino-3,3-dimethyl-1-(pyrazolidin-1-yl)butan...)
Show SMILES CC(C)(C)[C@H](N)C(=O)N1CCCN1
Show InChI InChI=1S/C9H19N3O/c1-9(2,3)7(10)8(13)12-6-4-5-11-12/h7,11H,4-6,10H2,1-3H3/t7-/m1/s1
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>1.00E+4n/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))
BDBM50225062
PNG
((S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-a...)
Show SMILES CC(C)(C)OC[C@H](N)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C12H22N2O2/c1-12(2,3)16-7-9(13)11(15)14-5-4-8-6-10(8)14/h8-10H,4-7,13H2,1-3H3/t8-,9+,10+/m1/s1
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>1.00E+4n/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))
BDBM50225064
PNG
((S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2,5...)
Show SMILES NCCC[C@H](N)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C10H19N3O/c11-4-1-2-8(12)10(14)13-5-3-7-6-9(7)13/h7-9H,1-6,11-12H2/t7-,8+,9+/m1/s1
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>1.00E+4n/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))
BDBM50225047
PNG
((2S,3R)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)...)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C9H16N2O2/c1-5(12)8(10)9(13)11-3-2-6-4-7(6)11/h5-8,12H,2-4,10H2,1H3/t5-,6-,7+,8+/m1/s1
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>1.00E+4n/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))
BDBM50225054
PNG
((S)-2-amino-1-(2,3-dihydro-indol-1-yl)-2-(3-hydrox...)
Show SMILES N[C@H](C(=O)N1CCc2ccccc12)C12CC3CC(CC(O)(C3)C1)C2 |w:13.25,15.23,19.21,17.26,TLB:16:17:22:21.14.15,THB:14:13:18:21.15.16,14:15:22.13.23:18,16:15:22:23.17.18,1:13:18:21.15.16,TEB:23:17:21:22.13.14|
Show InChI InChI=1S/C20H26N2O2/c21-17(18(23)22-6-5-15-3-1-2-4-16(15)22)19-8-13-7-14(9-19)11-20(24,10-13)12-19/h1-4,13-14,17,24H,5-12,21H2/t13?,14?,17-,19?,20?/m1/s1
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>1.00E+4n/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))
BDBM50225056
PNG
((S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-a...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C16H19N3O/c17-13(16(20)19-6-5-10-8-15(10)19)7-11-9-18-14-4-2-1-3-12(11)14/h1-4,9-10,13,15,18H,5-8,17H2/t10-,13+,15+/m1/s1
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>1.00E+4n/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))
BDBM50225052
PNG
((S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-a...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C11H16N4O/c12-9(4-8-5-13-6-14-8)11(16)15-2-1-7-3-10(7)15/h5-7,9-10H,1-4,12H2,(H,13,14)/t7-,9+,10+/m1/s1
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>1.00E+4n/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
Tryptase delta


(Homo sapiens (Human))
BDBM50217812
PNG
(CHEMBL322526)
Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6@@H](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-1=O)-[#6](-[#7])=O
Show InChI InChI=1S/C18H31N7O5/c1-18(2,3)30-17(29)24-9-7-23(8-10-24)16(28)25-12(13(19)26)11(14(25)27)5-4-6-22-15(20)21/h11-12H,4-10H2,1-3H3,(H2,19,26)(H4,20,21,22)/t11-,12+/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217626
PNG
(CHEMBL322538)
Show SMILES NC(=N)NCCC[C@@H]1[C@H](N(C(=O)N2CCN(CC2)C(=O)OCCc2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C22H30N6O6/c23-20(24)25-9-4-7-16-17(19(30)31)28(18(16)29)21(32)26-10-12-27(13-11-26)22(33)34-14-8-15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14H2,(H,30,31)(H4,23,24,25)/t16-,17+/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217627
PNG
(CHEMBL110061)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]C([#6])([#6])[#6]
Show InChI InChI=1S/C19H33N7O5/c1-19(2,3)31-18(30)25-10-8-24(9-11-25)17(29)26-13(14(27)22-4)12(15(26)28)6-5-7-23-16(20)21/h12-13H,5-11H2,1-4H3,(H,22,27)(H4,20,21,23)/t12-,13+/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))
BDBM50144555
PNG
((R)-1-{4-[2-(4-Benzyloxy-phenyl)-acetyl]-piperazin...)
Show SMILES OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C30H36N4O6/c35-26(19-21-6-8-24(9-7-21)40-20-23-4-2-1-3-5-23)32-14-16-33(17-15-32)30(39)34-27(29(37)38)25(28(34)36)18-22-10-12-31-13-11-22/h1-9,22,25,27,31H,10-20H2,(H,37,38)/t25-,27+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human tryptase


Bioorg Med Chem Lett 14: 2233-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.012
BindingDB Entry DOI: 10.7270/Q2SB4697
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217622
PNG
(CHEMBL443539)
Show SMILES NC(=N)NCCC[C@@H]1[C@H](N(C(=O)c2cccs2)C1=O)C(O)=O
Show InChI InChI=1S/C13H16N4O4S/c14-13(15)16-5-1-3-7-9(12(20)21)17(10(7)18)11(19)8-4-2-6-22-8/h2,4,6-7,9H,1,3,5H2,(H,20,21)(H4,14,15,16)/t7-,9+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217599
PNG
(CHEMBL109888)
Show SMILES NC(=N)NCCC[C@@H]1[C@H](N(C1=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C20H22N4O5S/c21-20(22)23-12-4-7-16-17(19(26)27)24(18(16)25)30(28,29)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-3,5-6,8-11,16-17H,4,7,12H2,(H,26,27)(H4,21,22,23)/t16-,17+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))
BDBM50144582
PNG
((R)-1-[4-(6-Naphthalen-2-yl-hexanoyl)-piperazine-1...)
Show SMILES OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)CCCCCc1ccc2ccccc2c1
Show InChI InChI=1S/C31H40N4O5/c36-27(9-3-1-2-6-22-10-11-24-7-4-5-8-25(24)20-22)33-16-18-34(19-17-33)31(40)35-28(30(38)39)26(29(35)37)21-23-12-14-32-15-13-23/h4-5,7-8,10-11,20,23,26,28,32H,1-3,6,9,12-19,21H2,(H,38,39)/t26-,28+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human tryptase


Bioorg Med Chem Lett 14: 2233-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.012
BindingDB Entry DOI: 10.7270/Q2SB4697
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))
BDBM50144535
PNG
((2S,3R)-4-Oxo-1-[4-(6-phenyl-hexanoyl)-piperazine-...)
Show SMILES OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)CCCCCc1ccccc1
Show InChI InChI=1S/C27H38N4O5/c32-23(10-6-2-5-9-20-7-3-1-4-8-20)29-15-17-30(18-16-29)27(36)31-24(26(34)35)22(25(31)33)19-21-11-13-28-14-12-21/h1,3-4,7-8,21-22,24,28H,2,5-6,9-19H2,(H,34,35)/t22-,24+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human tryptase


Bioorg Med Chem Lett 14: 2233-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.012
BindingDB Entry DOI: 10.7270/Q2SB4697
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217801
PNG
(CHEMBL111250)
Show SMILES NC(=N)NCCC[C@@H]1[C@H](N(C(=O)c2ccc(cc2)-c2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C21H22N4O4/c22-21(23)24-12-4-7-16-17(20(28)29)25(19(16)27)18(26)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-3,5-6,8-11,16-17H,4,7,12H2,(H,28,29)(H4,22,23,24)/t16-,17+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))
BDBM50144535
PNG
((2S,3R)-4-Oxo-1-[4-(6-phenyl-hexanoyl)-piperazine-...)
Show SMILES OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)CCCCCc1ccccc1
Show InChI InChI=1S/C27H38N4O5/c32-23(10-6-2-5-9-20-7-3-1-4-8-20)29-15-17-30(18-16-29)27(36)31-24(26(34)35)22(25(31)33)19-21-11-13-28-14-12-21/h1,3-4,7-8,21-22,24,28H,2,5-6,9-19H2,(H,34,35)/t22-,24+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against human tryptase was determined


Bioorg Med Chem Lett 14: 2227-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.011
BindingDB Entry DOI: 10.7270/Q2GM86Q3
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))
BDBM50144586
PNG
((R)-1-[4-(7-Naphthalen-1-yl-heptanoyl)-piperazine-...)
Show SMILES OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)CCCCCCc1cccc2ccccc12
Show InChI InChI=1S/C32H42N4O5/c37-28(13-4-2-1-3-8-24-10-7-11-25-9-5-6-12-26(24)25)34-18-20-35(21-19-34)32(41)36-29(31(39)40)27(30(36)38)22-23-14-16-33-17-15-23/h5-7,9-12,23,27,29,33H,1-4,8,13-22H2,(H,39,40)/t27-,29+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human tryptase


Bioorg Med Chem Lett 14: 2233-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.012
BindingDB Entry DOI: 10.7270/Q2SB4697
More data for this
Ligand-Target Pair
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