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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 = 'BDBM36396'   
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))
BDBM36396
PNG
(CD24894148 | N-[2-(4-Amino-5,8-difluoro-1,2-dihydr...)
Show SMILES NC1=NC(CCNC(=O)c2ccoc2)Nc2c(F)ccc(F)c12 |t:1|
Show InChI InChI=1S/C15H14F2N4O2/c16-9-1-2-10(17)13-12(9)14(18)21-11(20-13)3-5-19-15(22)8-4-6-23-7-8/h1-2,4,6-7,11,20H,3,5H2,(H2,18,21)(H,19,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 31n/an/an/an/a7.037



The Scripps Research Institute



Assay Description
Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...


Nat Chem Biol 4: 700-7 (2008)


Article DOI: 10.1038/nchembio.115
BindingDB Entry DOI: 10.7270/Q2SB443Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)