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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' and Ligand = 'BDBM50374677'   
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))
BDBM50374677
PNG
(CHEMBL405231)
Show SMILES NNC(=N)NCCC[C@H](N)C(O)=O
Show InChI InChI=1S/C6H15N5O2/c7-4(5(12)13)2-1-3-10-6(8)11-9/h4H,1-3,7,9H2,(H,12,13)(H3,8,10,11)/t4-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.20E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of full length iNOS by high-throughput oxymyoglobin assay


J Med Chem 51: 924-31 (2008)


Article DOI: 10.1021/jm701119v
BindingDB Entry DOI: 10.7270/Q2639QMP
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50374677
PNG
(CHEMBL405231)
Show SMILES NNC(=N)NCCC[C@H](N)C(O)=O
Show InChI InChI=1S/C6H15N5O2/c7-4(5(12)13)2-1-3-10-6(8)11-9/h4H,1-3,7,9H2,(H,12,13)(H3,8,10,11)/t4-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.30E+3n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity to truncated iNOS construct (1-490) by spectral assay


J Med Chem 51: 924-31 (2008)


Article DOI: 10.1021/jm701119v
BindingDB Entry DOI: 10.7270/Q2639QMP
More data for this
Ligand-Target Pair