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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 = 'BDBM50116674'   
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


(Mus musculus (mouse))
BDBM50116674
PNG
(6-Allyl-4-methyl-5,6-dihydro-1H-pyridin-(2Z)-ylide...)
Show SMILES CC1=CC(N)=NC(CC=C)C1 |c:4,t:1|
Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h3,6,8H,1,4-5H2,2H3,(H2,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 25n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
The concentration required for inhibition of Inducible nitric oxide synthase in mouse


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50116674
PNG
(6-Allyl-4-methyl-5,6-dihydro-1H-pyridin-(2Z)-ylide...)
Show SMILES CC1=CC(N)=NC(CC=C)C1 |c:4,t:1|
Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h3,6,8H,1,4-5H2,2H3,(H2,10,11)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 50n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair