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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, brain' and Ligand = 'BDBM50209242'   
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, brain


(Homo sapiens (Human))
BDBM50209242
PNG
(5-chloro-1H-indazole | CHEMBL246746)
Show SMILES Clc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C7H5ClN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
PDB
MMDB

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MCE
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PC sid
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Article
PubMed
n/an/a 5.90E+4n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of NOS1


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50209242
PNG
(5-chloro-1H-indazole | CHEMBL246746)
Show SMILES Clc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C7H5ClN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.93E+4n/an/an/an/an/an/a



UPRES-EA 3915

Curated by ChEMBL


Assay Description
Inhibition of rat neuronal NOS


Bioorg Med Chem Lett 17: 3177-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.024
BindingDB Entry DOI: 10.7270/Q2Z60NR3
More data for this
Ligand-Target Pair