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SMILES: Cc1cc(nc(n1)-n1ccnc1)N1CCCCC1CC(=O)NCc1ccc2OCOc2c1

InChI Key: InChIKey=SAKNCIOIYNBASO-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50205939   
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))		BDBM50205939
PNG
(CHEMBL221264 | N-(1,3-benzodioxol-5-ylmethyl)-1-[2...)
Show SMILES Cc1cc(nc(n1)-n1ccnc1)N1CCCCC1CC(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C23H26N6O3/c1-16-10-21(27-23(26-16)28-9-7-24-14-28)29-8-3-2-4-18(29)12-22(30)25-13-17-5-6-19-20(11-17)32-15-31-19/h5-7,9-11,14,18H,2-4,8,12-13,15H2,1H3,(H,25,30)
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Similars
Article
PubMed
n/an/a 4.10n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation

J Med Chem 50: 1146-57 (2007)


Article DOI: 10.1021/jm061319i
BindingDB Entry DOI: 10.7270/Q2SX6CWJ
More data for this
Ligand-Target Pair