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2 similar compounds to monomer 50116674

Compile data set for download or QSAR
Wt: 152.2
BDBM50116668		Wt: 124.1
BDBM50116676

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50116668,50116676   
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


(Mus musculus (mouse))		BDBM50116668
PNG
(4-Methyl-6-propyl-5,6-dihydro-1H-pyridin-(2Z)-ylid...)
Show SMILES CCCC1CC(C)=CC(N)=N1
Show InChI InChI=1S/C9H16N2/c1-3-4-8-5-7(2)6-9(10)11-8/h6,8H,3-5H2,1-2H3,(H2,10,11)
PDB
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n/an/a 100n/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)


Article DOI: 10.1016/s0960-894x(02)00455-9
BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50116676
PNG
(4,6-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...)
Show SMILES CC1CC(C)=CC(N)=N1
Show InChI InChI=1S/C7H12N2/c1-5-3-6(2)9-7(8)4-5/h4,6H,3H2,1-2H3,(H2,8,9)
PDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells

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


Article DOI: 10.1016/s0960-894x(02)00455-9
BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50116668
PNG
(4-Methyl-6-propyl-5,6-dihydro-1H-pyridin-(2Z)-ylid...)
Show SMILES CCCC1CC(C)=CC(N)=N1
Show InChI InChI=1S/C9H16N2/c1-3-4-8-5-7(2)6-9(10)11-8/h6,8H,3-5H2,1-2H3,(H2,10,11)
PDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 580n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells

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


Article DOI: 10.1016/s0960-894x(02)00455-9
BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50116676
PNG
(4,6-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...)
Show SMILES CC1CC(C)=CC(N)=N1
Show InChI InChI=1S/C7H12N2/c1-5-3-6(2)9-7(8)4-5/h4,6H,3H2,1-2H3,(H2,8,9)
PDB
MMDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


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

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


Article DOI: 10.1016/s0960-894x(02)00455-9
BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50116668
PNG
(4-Methyl-6-propyl-5,6-dihydro-1H-pyridin-(2Z)-ylid...)
Show SMILES CCCC1CC(C)=CC(N)=N1
Show InChI InChI=1S/C9H16N2/c1-3-4-8-5-7(2)6-9(10)11-8/h6,8H,3-5H2,1-2H3,(H2,10,11)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 60n/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)


Article DOI: 10.1016/s0960-894x(02)00455-9
BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair