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BDBM50167726 (R)-5-Acetimidoylamino-2-(S)-amino-3-methyl-pentanoic acid::CHEMBL370170

SMILES: C[C@H](CCNC(C)=N)[C@H](N)C(O)=O

InChI Key: InChIKey=XEDNXCBJUXAGJM-VDTYLAMSSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50167726   
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))
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
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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DrugBank
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AffyNet 
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 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))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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 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))
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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