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BDBM50095177 CHEMBL503356::CHEMBL542185::Pyrazole-1-carboxamidine; hydrochloride

SMILES: NC(=N)n1cccn1

InChI Key: InChIKey=UCQFSGCWHRTMGG-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50095177   
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


(Homo sapiens (Human))
BDBM50095177
PNG
(CHEMBL503356 | CHEMBL542185 | Pyrazole-1-carboxami...)
Show SMILES NC(=N)n1cccn1
Show InChI InChI=1S/C4H6N4/c5-4(6)8-3-1-2-7-8/h1-3H,(H3,5,6)
PDB
MMDB

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CHEMBL
MCE
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PC sid
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Article
PubMed
400n/an/an/an/an/an/an/an/a



Instituto de Química Médica

Curated by ChEMBL


Assay Description
Inhibition of nNOS (unknown origin) assessed as conversion of L-[3H]arginine to L-[3H]citrulline


Bioorg Med Chem 16: 6193-206 (2008)


Article DOI: 10.1016/j.bmc.2008.04.036
BindingDB Entry DOI: 10.7270/Q2611040
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50095177
PNG
(CHEMBL503356 | CHEMBL542185 | Pyrazole-1-carboxami...)
Show SMILES NC(=N)n1cccn1
Show InChI InChI=1S/C4H6N4/c5-4(6)8-3-1-2-7-8/h1-3H,(H3,5,6)
PDB
MMDB

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CHEMBL
MCE
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PubMed
400n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition against neuronal Nitric Oxide Synthase(nNOS)


Bioorg Med Chem Lett 10: 2771-4 (2000)


BindingDB Entry DOI: 10.7270/Q23B60NS
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50095177
PNG
(CHEMBL503356 | CHEMBL542185 | Pyrazole-1-carboxami...)
Show SMILES NC(=N)n1cccn1
Show InChI InChI=1S/C4H6N4/c5-4(6)8-3-1-2-7-8/h1-3H,(H3,5,6)
PDB
MMDB

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PubMed
500n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition against endothelial Nitric Oxide Synthase(eNOS)


Bioorg Med Chem Lett 10: 2771-4 (2000)


BindingDB Entry DOI: 10.7270/Q23B60NS
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50095177
PNG
(CHEMBL503356 | CHEMBL542185 | Pyrazole-1-carboxami...)
Show SMILES NC(=N)n1cccn1
Show InChI InChI=1S/C4H6N4/c5-4(6)8-3-1-2-7-8/h1-3H,(H3,5,6)
PDB
MMDB

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CHEMBL
MCE
PC cid
PC sid
UniChem

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PubMed
700n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition against induced Nitric Oxide Synthase(iNOS)


Bioorg Med Chem Lett 10: 2771-4 (2000)


BindingDB Entry DOI: 10.7270/Q23B60NS
More data for this
Ligand-Target Pair