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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'finnegan' and Initial = 'pm'   
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, inducible


(Homo sapiens (Human))
BDBM50063300
PNG
((L-N6-1-iminoethyl)lysine | (S)-6-Acetimidoylamino...)
Show SMILES CC(N)=NCCCC[C@H](N)C(O)=O |r,w:3.3|
Show InChI InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Searle

Curated by ChEMBL


Assay Description
Compound was evaluated for the Inhibition of induced isoform of Inducible nitric oxide synthase


J Med Chem 41: 775-7 (1998)


Article DOI: 10.1021/jm9706675
BindingDB Entry DOI: 10.7270/Q2VQ31TX
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50063301
PNG
(CHEMBL164596 | N-((5S,6R)-5-Amino-6,7-dihydroxy-he...)
Show SMILES CC(=N)NCCCC[C@H](N)[C@@H](O)CO
Show InChI InChI=1S/C9H21N3O2/c1-7(10)12-5-3-2-4-8(11)9(14)6-13/h8-9,13-14H,2-6,11H2,1H3,(H2,10,12)/t8-,9-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Searle

Curated by ChEMBL


Assay Description
Compound was evaluated for the Inhibition of induced isoform of Inducible nitric oxide synthase


J Med Chem 41: 775-7 (1998)


Article DOI: 10.1021/jm9706675
BindingDB Entry DOI: 10.7270/Q2VQ31TX
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50063300
PNG
((L-N6-1-iminoethyl)lysine | (S)-6-Acetimidoylamino...)
Show SMILES CC(N)=NCCCC[C@H](N)C(O)=O |r,w:3.3|
Show InChI InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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PubMed
n/an/a 3.80E+4n/an/an/an/an/an/a



Searle

Curated by ChEMBL


Assay Description
Compound was evaluated for the Inhibition of endothelial isoform of Endothelial nitric oxide synthase (eNOS)enzyme


J Med Chem 41: 775-7 (1998)


Article DOI: 10.1021/jm9706675
BindingDB Entry DOI: 10.7270/Q2VQ31TX
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50063300
PNG
((L-N6-1-iminoethyl)lysine | (S)-6-Acetimidoylamino...)
Show SMILES CC(N)=NCCCC[C@H](N)C(O)=O |r,w:3.3|
Show InChI InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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Article
PubMed
n/an/a 6.10E+4n/an/an/an/an/an/a



Searle

Curated by ChEMBL


Assay Description
Compound was evaluated for the Inhibition of Neuronal nitric oxide synthase


J Med Chem 41: 775-7 (1998)


Article DOI: 10.1021/jm9706675
BindingDB Entry DOI: 10.7270/Q2VQ31TX
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50063301
PNG
(CHEMBL164596 | N-((5S,6R)-5-Amino-6,7-dihydroxy-he...)
Show SMILES CC(=N)NCCCC[C@H](N)[C@@H](O)CO
Show InChI InChI=1S/C9H21N3O2/c1-7(10)12-5-3-2-4-8(11)9(14)6-13/h8-9,13-14H,2-6,11H2,1H3,(H2,10,12)/t8-,9-/m0/s1
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PubMed
n/an/a 1.50E+5n/an/an/an/an/an/a



Searle

Curated by ChEMBL


Assay Description
Compound was evaluated for the Inhibition of Neuronal nitric oxide synthase


J Med Chem 41: 775-7 (1998)


Article DOI: 10.1021/jm9706675
BindingDB Entry DOI: 10.7270/Q2VQ31TX
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50063301
PNG
(CHEMBL164596 | N-((5S,6R)-5-Amino-6,7-dihydroxy-he...)
Show SMILES CC(=N)NCCCC[C@H](N)[C@@H](O)CO
Show InChI InChI=1S/C9H21N3O2/c1-7(10)12-5-3-2-4-8(11)9(14)6-13/h8-9,13-14H,2-6,11H2,1H3,(H2,10,12)/t8-,9-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 8.42E+6n/an/an/an/an/an/a



Searle

Curated by ChEMBL


Assay Description
Compound was evaluated for the Inhibition of endothelial isoform of Endothelial nitric oxide synthase (eNOS)enzyme


J Med Chem 41: 775-7 (1998)


Article DOI: 10.1021/jm9706675
BindingDB Entry DOI: 10.7270/Q2VQ31TX
More data for this
Ligand-Target Pair