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BDBM29264 isoquinoline N-oxide, 34

SMILES: Cc1ncsc1C(=O)N(Cc1c[n+]([O-])cc2c(F)cccc12)c1cccc(Cl)c1

InChI Key: InChIKey=QCWKLZHMHUIADI-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 29264   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM29264
PNG
(isoquinoline N-oxide, 34)
Show SMILES Cc1ncsc1C(=O)N(Cc1c[n+]([O-])cc2c(F)cccc12)c1cccc(Cl)c1
Show InChI InChI=1S/C21H15ClFN3O2S/c1-13-20(29-12-24-13)21(27)26(16-5-2-4-15(22)8-16)10-14-9-25(28)11-18-17(14)6-3-7-19(18)23/h2-9,11-12H,10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 87n/an/an/a25



Kalypsys Inc.



Assay Description
HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...


J Med Chem 52: 3047-62 (2009)


Article DOI: 10.1021/jm900173b
BindingDB Entry DOI: 10.7270/Q2D798RB
More data for this
Ligand-Target Pair