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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 Monomerid = 50117553   
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))
BDBM50117553
PNG
(8-Chloro-6,7-difluoro-2,3,3a,9b-tetrahydro-1H-cycl...)
Show SMILES NC1=Nc2c(F)c(F)c(Cl)cc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C12H11ClF2N2/c13-8-4-7-5-2-1-3-6(5)12(16)17-11(7)10(15)9(8)14/h4-6H,1-3H2,(H2,16,17)/t5-,6+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.80E+4n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
In vitro inhibition of inducible nitric oxide synthase.


Bioorg Med Chem Lett 12: 2561-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00481-x
BindingDB Entry DOI: 10.7270/Q2VD6XS8
More data for this
Ligand-Target Pair