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2 similar compounds to monomer 50167727

Compile data set for download or QSAR
Wt: 275.4
BDBM50167729
Wt: 303.4
BDBM50167730

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50167729,50167730   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
PDB

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
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
PDB
MMDB

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KEGG

B.MOAD
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GoogleScholar
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KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
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
PDB
MMDB

NCI pathway
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KEGG

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PC sid
UniChem

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Article
PubMed
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, 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
PDB
MMDB

NCI pathway
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Article
PubMed
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, 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
PDB

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
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
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
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