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5 similar compounds to monomer 50139794

Compile data set for download or QSAR
Wt: 205.2
BDBM50139792
Wt: 205.2
BDBM50139793
Wt: 205.2
BDBM50139795
Wt: 205.2
BDBM50139796
Wt: 223.2
BDBM50139797

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50139792,50139793,50139795,50139796,50139797   
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, inducible


(Homo sapiens (Human))
BDBM50139792
PNG
(6-Acetimidoylamino-2-amino-5-fluoro-hexanoic acid ...)
Show SMILES CC(=N)NCC(F)CCC(N)C(O)=O
Show InChI InChI=1/C8H16FN3O2/c1-5(10)12-4-6(9)2-3-7(11)8(13)14/h6-7H,2-4,11H2,1H3,(H2,10,12)(H,13,14)
PDB
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PubMed
n/an/a 7.84E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
InInhibition concentration against Inducible nitric oxide synthase (iNOS) at 10 uM concentration


J Med Chem 47: 900-6 (2004)


Article DOI: 10.1021/jm030348f
BindingDB Entry DOI: 10.7270/Q23B60WX
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50139793
PNG
((S)-6-Acetimidoylamino-2-(S)-amino-5-fluoro-hexano...)
Show SMILES CC(=N)NC[C@@H](F)CC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H16FN3O2/c1-5(10)12-4-6(9)2-3-7(11)8(13)14/h6-7H,2-4,11H2,1H3,(H2,10,12)(H,13,14)/t6-,7-/m0/s1
PDB

GoogleScholar
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PC cid
PC sid
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Article
PubMed
n/an/a 8.10E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition concentration against Endothelial nitric oxide synthase (eNOS) at 10 uM concentration


J Med Chem 47: 900-6 (2004)


Article DOI: 10.1021/jm030348f
BindingDB Entry DOI: 10.7270/Q23B60WX
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50139795
PNG
((S)-6-Acetimidoylamino-2-(R)-amino-5-fluoro-hexano...)
Show SMILES CC(=N)NC[C@@H](F)CC[C@@H](N)C(O)=O
Show InChI InChI=1S/C8H16FN3O2/c1-5(10)12-4-6(9)2-3-7(11)8(13)14/h6-7H,2-4,11H2,1H3,(H2,10,12)(H,13,14)/t6-,7+/m0/s1
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n/an/a 4.78E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
InInhibition concentration against Inducible nitric oxide synthase (iNOS) at 10 uM concentration


J Med Chem 47: 900-6 (2004)


Article DOI: 10.1021/jm030348f
BindingDB Entry DOI: 10.7270/Q23B60WX
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50139796
PNG
((R)-6-Acetimidoylamino-2-(S)-amino-5-fluoro-hexano...)
Show SMILES CC(=N)NC[C@H](F)CC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H16FN3O2/c1-5(10)12-4-6(9)2-3-7(11)8(13)14/h6-7H,2-4,11H2,1H3,(H2,10,12)(H,13,14)/t6-,7+/m1/s1
PDB

GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.82E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition concentration against Endothelial nitric oxide synthase (eNOS) at 10 uM concentration


J Med Chem 47: 900-6 (2004)


Article DOI: 10.1021/jm030348f
BindingDB Entry DOI: 10.7270/Q23B60WX
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50139792
PNG
(6-Acetimidoylamino-2-amino-5-fluoro-hexanoic acid ...)
Show SMILES CC(=N)NCC(F)CCC(N)C(O)=O
Show InChI InChI=1/C8H16FN3O2/c1-5(10)12-4-6(9)2-3-7(11)8(13)14/h6-7H,2-4,11H2,1H3,(H2,10,12)(H,13,14)
PDB

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PC sid
UniChem

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Article
PubMed
n/an/a 1.82E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition concentration against Endothelial nitric oxide synthase (eNOS) at 10 uM concentration


J Med Chem 47: 900-6 (2004)


Article DOI: 10.1021/jm030348f
BindingDB Entry DOI: 10.7270/Q23B60WX
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50139795
PNG
((S)-6-Acetimidoylamino-2-(R)-amino-5-fluoro-hexano...)
Show SMILES CC(=N)NC[C@@H](F)CC[C@@H](N)C(O)=O
Show InChI InChI=1S/C8H16FN3O2/c1-5(10)12-4-6(9)2-3-7(11)8(13)14/h6-7H,2-4,11H2,1H3,(H2,10,12)(H,13,14)/t6-,7+/m0/s1
PDB
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n/an/a 3.11E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition concentration against Neuronal nitric oxide synthase (nNOS) at 10 uM concentration


J Med Chem 47: 900-6 (2004)


Article DOI: 10.1021/jm030348f
BindingDB Entry DOI: 10.7270/Q23B60WX
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50139797
PNG
((S)-6-Acetimidoylamino-2-amino-5,5-difluoro-hexano...)
Show SMILES CC(=N)NCC(F)(F)CC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H15F2N3O2/c1-5(11)13-4-8(9,10)3-2-6(12)7(14)15/h6H,2-4,12H2,1H3,(H2,11,13)(H,14,15)/t6-/m0/s1
PDB
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n/an/a 8.75E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
InInhibition concentration against Inducible nitric oxide synthase (iNOS) at 10 uM concentration


J Med Chem 47: 900-6 (2004)


Article DOI: 10.1021/jm030348f
BindingDB Entry DOI: 10.7270/Q23B60WX
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50139792
PNG
(6-Acetimidoylamino-2-amino-5-fluoro-hexanoic acid ...)
Show SMILES CC(=N)NCC(F)CCC(N)C(O)=O
Show InChI InChI=1/C8H16FN3O2/c1-5(10)12-4-6(9)2-3-7(11)8(13)14/h6-7H,2-4,11H2,1H3,(H2,10,12)(H,13,14)
PDB
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PubMed
n/an/a 7.04E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition concentration against Neuronal nitric oxide synthase (nNOS) at 10 uM concentration


J Med Chem 47: 900-6 (2004)


Article DOI: 10.1021/jm030348f
BindingDB Entry DOI: 10.7270/Q23B60WX
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50139797
PNG
((S)-6-Acetimidoylamino-2-amino-5,5-difluoro-hexano...)
Show SMILES CC(=N)NCC(F)(F)CC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H15F2N3O2/c1-5(11)13-4-8(9,10)3-2-6(12)7(14)15/h6H,2-4,12H2,1H3,(H2,11,13)(H,14,15)/t6-/m0/s1
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.75E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition concentration against Endothelial nitric oxide synthase (eNOS) at 10 uM concentration


J Med Chem 47: 900-6 (2004)


Article DOI: 10.1021/jm030348f
BindingDB Entry DOI: 10.7270/Q23B60WX
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50139795
PNG
((S)-6-Acetimidoylamino-2-(R)-amino-5-fluoro-hexano...)
Show SMILES CC(=N)NC[C@@H](F)CC[C@@H](N)C(O)=O
Show InChI InChI=1S/C8H16FN3O2/c1-5(10)12-4-6(9)2-3-7(11)8(13)14/h6-7H,2-4,11H2,1H3,(H2,10,12)(H,13,14)/t6-,7+/m0/s1
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.74E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition concentration against Endothelial nitric oxide synthase (eNOS) at 10 uM concentration


J Med Chem 47: 900-6 (2004)


Article DOI: 10.1021/jm030348f
BindingDB Entry DOI: 10.7270/Q23B60WX
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50139793
PNG
((S)-6-Acetimidoylamino-2-(S)-amino-5-fluoro-hexano...)
Show SMILES CC(=N)NC[C@@H](F)CC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H16FN3O2/c1-5(10)12-4-6(9)2-3-7(11)8(13)14/h6-7H,2-4,11H2,1H3,(H2,10,12)(H,13,14)/t6-,7-/m0/s1
PDB
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n/an/a 2.17E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition concentration against Neuronal nitric oxide synthase (nNOS) at 10 uM concentration


J Med Chem 47: 900-6 (2004)


Article DOI: 10.1021/jm030348f
BindingDB Entry DOI: 10.7270/Q23B60WX
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50139793
PNG
((S)-6-Acetimidoylamino-2-(S)-amino-5-fluoro-hexano...)
Show SMILES CC(=N)NC[C@@H](F)CC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H16FN3O2/c1-5(10)12-4-6(9)2-3-7(11)8(13)14/h6-7H,2-4,11H2,1H3,(H2,10,12)(H,13,14)/t6-,7-/m0/s1
PDB
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PubMed
n/an/a 2.36E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
InInhibition concentration against Inducible nitric oxide synthase (iNOS) at 10 uM concentration


J Med Chem 47: 900-6 (2004)


Article DOI: 10.1021/jm030348f
BindingDB Entry DOI: 10.7270/Q23B60WX
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50139797
PNG
((S)-6-Acetimidoylamino-2-amino-5,5-difluoro-hexano...)
Show SMILES CC(=N)NCC(F)(F)CC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H15F2N3O2/c1-5(11)13-4-8(9,10)3-2-6(12)7(14)15/h6H,2-4,12H2,1H3,(H2,11,13)(H,14,15)/t6-/m0/s1
PDB
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n/an/a 3.38E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition concentration against Neuronal nitric oxide synthase (nNOS) at 10 uM concentration


J Med Chem 47: 900-6 (2004)


Article DOI: 10.1021/jm030348f
BindingDB Entry DOI: 10.7270/Q23B60WX
More data for this
Ligand-Target Pair