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BDBM50270526 7-Ethynyl-1H-indazole::CHEMBL452956

SMILES: C#Cc1cccc2cn[nH]c12

InChI Key: InChIKey=RZRGQMHAEDLRBS-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50270526   
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, brain


(Rattus norvegicus (rat))
BDBM50270526
PNG
(7-Ethynyl-1H-indazole | CHEMBL452956)
Show SMILES C#Cc1cccc2cn[nH]c12
Show InChI InChI=1S/C9H6N2/c1-2-7-4-3-5-8-6-10-11-9(7)8/h1,3-6H,(H,10,11)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Université de Versailles

Curated by ChEMBL


Assay Description
Inhibition of rat brain recombinant nNOS


Bioorg Med Chem 16: 5962-73 (2008)


Article DOI: 10.1016/j.bmc.2008.04.056
BindingDB Entry DOI: 10.7270/Q2GB23VM
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50270526
PNG
(7-Ethynyl-1H-indazole | CHEMBL452956)
Show SMILES C#Cc1cccc2cn[nH]c12
Show InChI InChI=1S/C9H6N2/c1-2-7-4-3-5-8-6-10-11-9(7)8/h1,3-6H,(H,10,11)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.25E+5n/an/an/an/an/an/a



Université de Versailles

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS


Bioorg Med Chem 16: 5962-73 (2008)


Article DOI: 10.1016/j.bmc.2008.04.056
BindingDB Entry DOI: 10.7270/Q2GB23VM
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50270526
PNG
(7-Ethynyl-1H-indazole | CHEMBL452956)
Show SMILES C#Cc1cccc2cn[nH]c12
Show InChI InChI=1S/C9H6N2/c1-2-7-4-3-5-8-6-10-11-9(7)8/h1,3-6H,(H,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+6n/an/an/an/an/an/a



Université de Versailles

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


Bioorg Med Chem 16: 5962-73 (2008)


Article DOI: 10.1016/j.bmc.2008.04.056
BindingDB Entry DOI: 10.7270/Q2GB23VM
More data for this
Ligand-Target Pair