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Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'nagai' 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
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50138983
PNG
((S)-2-Amino-5-(2-methyl-isothioureido)-pentanoic a...)
Show SMILES CSC(N)=NCCC[C@H](N)C(O)=O
Show InChI InChI=1/C7H15N3O2S/c1-13-7(9)10-4-2-3-5(8)6(11)12/h5H,2-4,8H2,1H3,(H2,9,10)(H,11,12)/t5-/s2
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n/an/a 60n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human neuronal nitric oxide synthase expressed in Sf-9 cells


Bioorg Med Chem Lett 15: 2881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.078
BindingDB Entry DOI: 10.7270/Q2PK0FP1
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50138983
PNG
((S)-2-Amino-5-(2-methyl-isothioureido)-pentanoic a...)
Show SMILES CSC(N)=NCCC[C@H](N)C(O)=O
Show InChI InChI=1/C7H15N3O2S/c1-13-7(9)10-4-2-3-5(8)6(11)12/h5H,2-4,8H2,1H3,(H2,9,10)(H,11,12)/t5-/s2
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n/an/a 300n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human inducible nitric oxide synthase expressed in Sf-9 cells


Bioorg Med Chem Lett 15: 2881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.078
BindingDB Entry DOI: 10.7270/Q2PK0FP1
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50138983
PNG
((S)-2-Amino-5-(2-methyl-isothioureido)-pentanoic a...)
Show SMILES CSC(N)=NCCC[C@H](N)C(O)=O
Show InChI InChI=1/C7H15N3O2S/c1-13-7(9)10-4-2-3-5(8)6(11)12/h5H,2-4,8H2,1H3,(H2,9,10)(H,11,12)/t5-/s2
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n/an/a 400n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human endothelial nitric oxide synthase expressed in Sf-9 cells


Bioorg Med Chem Lett 15: 2881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.078
BindingDB Entry DOI: 10.7270/Q2PK0FP1
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50167729
PNG
((S)-2-(S)-Amino-3-methyl-5-(2-methyl-isothioureido...)
Show SMILES CSC(=N)NCC[C@H](C)[C@H](N)C(=O)OC(C)(C)C
Show InChI InChI=1S/C12H25N3O2S/c1-8(6-7-15-11(14)18-5)9(13)10(16)17-12(2,3)4/h8-9H,6-7,13H2,1-5H3,(H2,14,15)/t8-,9-/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human neuronal nitric oxide synthase expressed in Sf-9 cells


Bioorg Med Chem Lett 15: 2881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.078
BindingDB Entry DOI: 10.7270/Q2PK0FP1
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50167728
PNG
(2-[(S)-2-Amino-5-(2-methyl-isothioureido)-pentanoy...)
Show SMILES CSC(=N)NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N4O3S/c1-24-16(18)19-9-5-8-12(17)14(21)20-13(15(22)23)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10,17H2,1H3,(H2,18,19)(H,20,21)(H,22,23)/t12-,13-/m0/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human inducible nitric oxide synthase expressed in Sf-9 cells


Bioorg Med Chem Lett 15: 2881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.078
BindingDB Entry DOI: 10.7270/Q2PK0FP1
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50072297
PNG
((S)-5-Acetimidoylamino-2-amino-pent | (S)-5-Acetim...)
Show SMILES CC(N)=NCCC[C@H](N)C(O)=O
Show InChI InChI=1/C7H15N3O2/c1-5(8)10-4-2-3-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/s2
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n/an/a 4.00E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human inducible nitric oxide synthase expressed in Sf-9 cells


Bioorg Med Chem Lett 15: 2881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.078
BindingDB Entry DOI: 10.7270/Q2PK0FP1
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50167729
PNG
((S)-2-(S)-Amino-3-methyl-5-(2-methyl-isothioureido...)
Show SMILES CSC(=N)NCC[C@H](C)[C@H](N)C(=O)OC(C)(C)C
Show InChI InChI=1S/C12H25N3O2S/c1-8(6-7-15-11(14)18-5)9(13)10(16)17-12(2,3)4/h8-9H,6-7,13H2,1-5H3,(H2,14,15)/t8-,9-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human inducible nitric oxide synthase expressed in Sf-9 cells


Bioorg Med Chem Lett 15: 2881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.078
BindingDB Entry DOI: 10.7270/Q2PK0FP1
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50072297
PNG
((S)-5-Acetimidoylamino-2-amino-pent | (S)-5-Acetim...)
Show SMILES CC(N)=NCCC[C@H](N)C(O)=O
Show InChI InChI=1/C7H15N3O2/c1-5(8)10-4-2-3-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/s2
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n/an/a 6.00E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human endothelial nitric oxide synthase expressed in Sf-9 cells


Bioorg Med Chem Lett 15: 2881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.078
BindingDB Entry DOI: 10.7270/Q2PK0FP1
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50072297
PNG
((S)-5-Acetimidoylamino-2-amino-pent | (S)-5-Acetim...)
Show SMILES CC(N)=NCCC[C@H](N)C(O)=O
Show InChI InChI=1/C7H15N3O2/c1-5(8)10-4-2-3-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/s2
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n/an/a 9.00E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human neuronal nitric oxide synthase expressed in Sf-9 cells


Bioorg Med Chem Lett 15: 2881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.078
BindingDB Entry DOI: 10.7270/Q2PK0FP1
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50167729
PNG
((S)-2-(S)-Amino-3-methyl-5-(2-methyl-isothioureido...)
Show SMILES CSC(=N)NCC[C@H](C)[C@H](N)C(=O)OC(C)(C)C
Show InChI InChI=1S/C12H25N3O2S/c1-8(6-7-15-11(14)18-5)9(13)10(16)17-12(2,3)4/h8-9H,6-7,13H2,1-5H3,(H2,14,15)/t8-,9-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human endothelial nitric oxide synthase expressed in Sf-9 cells


Bioorg Med Chem Lett 15: 2881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.078
BindingDB Entry DOI: 10.7270/Q2PK0FP1
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50167728
PNG
(2-[(S)-2-Amino-5-(2-methyl-isothioureido)-pentanoy...)
Show SMILES CSC(=N)NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N4O3S/c1-24-16(18)19-9-5-8-12(17)14(21)20-13(15(22)23)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10,17H2,1H3,(H2,18,19)(H,20,21)(H,22,23)/t12-,13-/m0/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human neuronal nitric oxide synthase expressed in Sf-9 cells


Bioorg Med Chem Lett 15: 2881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.078
BindingDB Entry DOI: 10.7270/Q2PK0FP1
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50167727
PNG
((R)-2-(S)-Amino-3-methyl-5-(2-methyl-isothioureido...)
Show SMILES CSC(=N)NCC[C@@H](C)[C@H](N)C(=O)OC(C)(C)C
Show InChI InChI=1S/C12H25N3O2S/c1-8(6-7-15-11(14)18-5)9(13)10(16)17-12(2,3)4/h8-9H,6-7,13H2,1-5H3,(H2,14,15)/t8-,9+/m1/s1
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n/an/a 3.80E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human neuronal nitric oxide synthase expressed in Sf-9 cells


Bioorg Med Chem Lett 15: 2881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.078
BindingDB Entry DOI: 10.7270/Q2PK0FP1
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50167727
PNG
((R)-2-(S)-Amino-3-methyl-5-(2-methyl-isothioureido...)
Show SMILES CSC(=N)NCC[C@@H](C)[C@H](N)C(=O)OC(C)(C)C
Show InChI InChI=1S/C12H25N3O2S/c1-8(6-7-15-11(14)18-5)9(13)10(16)17-12(2,3)4/h8-9H,6-7,13H2,1-5H3,(H2,14,15)/t8-,9+/m1/s1
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n/an/a 1.10E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human inducible nitric oxide synthase expressed in Sf-9 cells


Bioorg Med Chem Lett 15: 2881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.078
BindingDB Entry DOI: 10.7270/Q2PK0FP1
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50167730
PNG
((S)-2-(S)-Amino-3-[2-(2-methyl-isothioureido)-ethy...)
Show SMILES CCC[C@@H](CCNC(=N)SC)[C@H](N)C(=O)OC(C)(C)C
Show InChI InChI=1S/C14H29N3O2S/c1-6-7-10(8-9-17-13(16)20-5)11(15)12(18)19-14(2,3)4/h10-11H,6-9,15H2,1-5H3,(H2,16,17)/t10-,11-/m0/s1
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n/an/a 3.70E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human inducible nitric oxide synthase expressed in Sf-9 cells


Bioorg Med Chem Lett 15: 2881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.078
BindingDB Entry DOI: 10.7270/Q2PK0FP1
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50167730
PNG
((S)-2-(S)-Amino-3-[2-(2-methyl-isothioureido)-ethy...)
Show SMILES CCC[C@@H](CCNC(=N)SC)[C@H](N)C(=O)OC(C)(C)C
Show InChI InChI=1S/C14H29N3O2S/c1-6-7-10(8-9-17-13(16)20-5)11(15)12(18)19-14(2,3)4/h10-11H,6-9,15H2,1-5H3,(H2,16,17)/t10-,11-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human neuronal nitric oxide synthase expressed in Sf-9 cells


Bioorg Med Chem Lett 15: 2881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.078
BindingDB Entry DOI: 10.7270/Q2PK0FP1
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50167727
PNG
((R)-2-(S)-Amino-3-methyl-5-(2-methyl-isothioureido...)
Show SMILES CSC(=N)NCC[C@@H](C)[C@H](N)C(=O)OC(C)(C)C
Show InChI InChI=1S/C12H25N3O2S/c1-8(6-7-15-11(14)18-5)9(13)10(16)17-12(2,3)4/h8-9H,6-7,13H2,1-5H3,(H2,14,15)/t8-,9+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human endothelial nitric oxide synthase expressed in Sf-9 cells


Bioorg Med Chem Lett 15: 2881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.078
BindingDB Entry DOI: 10.7270/Q2PK0FP1
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50167726
PNG
((R)-5-Acetimidoylamino-2-(S)-amino-3-methyl-pentan...)
Show SMILES C[C@H](CCNC(C)=N)[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2/c1-5(7(10)8(12)13)3-4-11-6(2)9/h5,7H,3-4,10H2,1-2H3,(H2,9,11)(H,12,13)/t5-,7+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human neuronal nitric oxide synthase expressed in Sf-9 cells


Bioorg Med Chem Lett 15: 2881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.078
BindingDB Entry DOI: 10.7270/Q2PK0FP1
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50167730
PNG
((S)-2-(S)-Amino-3-[2-(2-methyl-isothioureido)-ethy...)
Show SMILES CCC[C@@H](CCNC(=N)SC)[C@H](N)C(=O)OC(C)(C)C
Show InChI InChI=1S/C14H29N3O2S/c1-6-7-10(8-9-17-13(16)20-5)11(15)12(18)19-14(2,3)4/h10-11H,6-9,15H2,1-5H3,(H2,16,17)/t10-,11-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human endothelial nitric oxide synthase expressed in Sf-9 cells


Bioorg Med Chem Lett 15: 2881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.078
BindingDB Entry DOI: 10.7270/Q2PK0FP1
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50167726
PNG
((R)-5-Acetimidoylamino-2-(S)-amino-3-methyl-pentan...)
Show SMILES C[C@H](CCNC(C)=N)[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2/c1-5(7(10)8(12)13)3-4-11-6(2)9/h5,7H,3-4,10H2,1-2H3,(H2,9,11)(H,12,13)/t5-,7+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human endothelial nitric oxide synthase expressed in Sf-9 cells


Bioorg Med Chem Lett 15: 2881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.078
BindingDB Entry DOI: 10.7270/Q2PK0FP1
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50167726
PNG
((R)-5-Acetimidoylamino-2-(S)-amino-3-methyl-pentan...)
Show SMILES C[C@H](CCNC(C)=N)[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2/c1-5(7(10)8(12)13)3-4-11-6(2)9/h5,7H,3-4,10H2,1-2H3,(H2,9,11)(H,12,13)/t5-,7+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human inducible nitric oxide synthase expressed in Sf-9 cells


Bioorg Med Chem Lett 15: 2881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.078
BindingDB Entry DOI: 10.7270/Q2PK0FP1
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50167728
PNG
(2-[(S)-2-Amino-5-(2-methyl-isothioureido)-pentanoy...)
Show SMILES CSC(=N)NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N4O3S/c1-24-16(18)19-9-5-8-12(17)14(21)20-13(15(22)23)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10,17H2,1H3,(H2,18,19)(H,20,21)(H,22,23)/t12-,13-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human endothelial nitric oxide synthase expressed in Sf-9 cells


Bioorg Med Chem Lett 15: 2881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.078
BindingDB Entry DOI: 10.7270/Q2PK0FP1
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Ligand-Target Pair