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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 = 'BDBM50372229'   
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))
BDBM50372229
PNG
(CHEMBL428248)
Show SMILES CC(C)N(Cc1cc(Cl)ccc1C#N)C1CCNCC1
Show InChI InChI=1S/C16H22ClN3/c1-12(2)20(16-5-7-19-8-6-16)11-14-9-15(17)4-3-13(14)10-18/h3-4,9,12,16,19H,5-8,11H2,1-2H3
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 32n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in human DLD1 cells after 1 hr


Bioorg Med Chem Lett 18: 336-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.073
BindingDB Entry DOI: 10.7270/Q2H9961Q
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50372229
PNG
(CHEMBL428248)
Show SMILES CC(C)N(Cc1cc(Cl)ccc1C#N)C1CCNCC1
Show InChI InChI=1S/C16H22ClN3/c1-12(2)20(16-5-7-19-8-6-16)11-14-9-15(17)4-3-13(14)10-18/h3-4,9,12,16,19H,5-8,11H2,1-2H3
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 380n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of cytokine-induced iNOS activity in human DLD1 cells after 24 hrs


Bioorg Med Chem Lett 18: 336-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.073
BindingDB Entry DOI: 10.7270/Q2H9961Q
More data for this
Ligand-Target Pair