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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' and Ligand = 'BDBM50111448'   
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))
BDBM50111448
PNG
(CHEMBL440473 | N-Benzo[1,3]dioxol-5-ylmethyl-2-[1-...)
Show SMILES Clc1cc(nc(n1)-n1ccnc1)N1CCNCC1CC(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C21H22ClN7O3/c22-18-9-19(27-21(26-18)28-5-3-24-12-28)29-6-4-23-11-15(29)8-20(30)25-10-14-1-2-16-17(7-14)32-13-31-16/h1-3,5,7,9,12,15,23H,4,6,8,10-11,13H2,(H,25,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against the partially purified human Inducible nitric oxide synthase


J Med Chem 45: 1543-58 (2002)


BindingDB Entry DOI: 10.7270/Q2CN74ND
More data for this
Ligand-Target Pair