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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nitric Oxide Synthase, inducible' and Monomerid = 50098932   
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))
BDBM50098932
PNG
(8-Fluoro-3-phenyl-3,4-dihydro-isoquinolin-1-ylamin...)
Show SMILES NC1=NC(Cc2cccc(F)c12)c1ccccc1
Show InChI InChI=1/C15H13FN2/c16-12-8-4-7-11-9-13(18-15(17)14(11)12)10-5-2-1-3-6-10/h1-8,13H,9H2,(H2,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 550n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Ability to inhibit conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by inducible NOS (i NOS) from human DLD-1 cells


Bioorg Med Chem Lett 11: 1023-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00119-6
BindingDB Entry DOI: 10.7270/Q2K073JZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50098932
PNG
(8-Fluoro-3-phenyl-3,4-dihydro-isoquinolin-1-ylamin...)
Show SMILES NC1=NC(Cc2cccc(F)c12)c1ccccc1
Show InChI InChI=1/C15H13FN2/c16-12-8-4-7-11-9-13(18-15(17)14(11)12)10-5-2-1-3-6-10/h1-8,13H,9H2,(H2,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.30E+8n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory concentration against nitric oxide synthesis in intact DLD-1 cells


Bioorg Med Chem Lett 11: 1023-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00119-6
BindingDB Entry DOI: 10.7270/Q2K073JZ
More data for this
Ligand-Target Pair