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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 = 'BDBM50127054'   
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))
BDBM50127054
PNG
(CHEMBL43937 | N-{(4S)-4-amino-5-[(pyridin-3-ylmeth...)
Show SMILES N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCc1cccnc1
Show InChI InChI=1S/C12H21N7O2/c13-11(4-2-6-17-12(14)18-19(20)21)9-16-8-10-3-1-5-15-7-10/h1,3,5,7,11,16H,2,4,6,8-9,13H2,(H3,14,17,18)/t11-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.41E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase (iNOS)


J Med Chem 46: 1661-9 (2003)


Article DOI: 10.1021/jm0202932
BindingDB Entry DOI: 10.7270/Q23J3DQK
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse)-Homo sapiens (Human))
BDBM50127054
PNG
(CHEMBL43937 | N-{(4S)-4-amino-5-[(pyridin-3-ylmeth...)
Show SMILES N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCc1cccnc1
Show InChI InChI=1S/C12H21N7O2/c13-11(4-2-6-17-12(14)18-19(20)21)9-16-8-10-3-1-5-15-7-10/h1,3,5,7,11,16H,2,4,6,8-9,13H2,(H3,14,17,18)/t11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.95E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
Article DOI: 10.1021/jm030301u
BindingDB Entry DOI: 10.7270/Q26D5TQV
More data for this
Ligand-Target Pair