BindingDB logo
myBDB logout

PubMed code 23123728

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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))
BDBM50392587
PNG
(CHEMBL1230023)
Show SMILES CCC[C@H]1COc2ccsc2C(N)=N1 |r,c:13|
Show InChI InChI=1S/C10H14N2OS/c1-2-3-7-6-13-8-4-5-14-9(8)10(11)12-7/h4-5,7H,2-3,6H2,1H3,(H2,11,12)/t7-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of wild type human iNOS expressed in Escherichia coli BL21(DE3) using L-Arg as substrate incubated for 1 hr prior to L-Arg addition


Eur J Med Chem 58: 117-27 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.010
BindingDB Entry DOI: 10.7270/Q29024XX
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50392587
PNG
(CHEMBL1230023)
Show SMILES CCC[C@H]1COc2ccsc2C(N)=N1 |r,c:13|
Show InChI InChI=1S/C10H14N2OS/c1-2-3-7-6-13-8-4-5-14-9(8)10(11)12-7/h4-5,7H,2-3,6H2,1H3,(H2,11,12)/t7-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of wild type human eNOS using L-Arg as substrate incubated for 1 hr prior to L-Arg addition


Eur J Med Chem 58: 117-27 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.010
BindingDB Entry DOI: 10.7270/Q29024XX
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50148162
PNG
(4-(4-Methyl-pyridin-2-ylamino)-piperidine-1-carbox...)
Show SMILES CCOC(=O)N1CCC(CC1)Nc1cc(C)ccn1
Show InChI InChI=1S/C14H21N3O2/c1-3-19-14(18)17-8-5-12(6-9-17)16-13-10-11(2)4-7-15-13/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

MMDB
PDB
Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of wild type human iNOS expressed in Escherichia coli BL21(DE3) using L-Arg as substrate incubated for 1 hr prior to L-Arg addition


Eur J Med Chem 58: 117-27 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.010
BindingDB Entry DOI: 10.7270/Q29024XX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50148162
PNG
(4-(4-Methyl-pyridin-2-ylamino)-piperidine-1-carbox...)
Show SMILES CCOC(=O)N1CCC(CC1)Nc1cc(C)ccn1
Show InChI InChI=1S/C14H21N3O2/c1-3-19-14(18)17-8-5-12(6-9-17)16-13-10-11(2)4-7-15-13/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 5.80E+4n/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of wild type human eNOS using L-Arg as substrate incubated for 1 hr prior to L-Arg addition


Eur J Med Chem 58: 117-27 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.010
BindingDB Entry DOI: 10.7270/Q29024XX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%