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BDBM50279391 (+/-)-N1-(4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)-N2-(4-chlorophenethyl)ethane-1,2-diamine::CHEMBL520645

SMILES: Cc1cc(N)nc(CC2CNCC2NCCNCCc2ccc(Cl)cc2)c1

InChI Key: InChIKey=HWRHGOUNQXGWCL-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50279391   
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))
BDBM50279391
PNG
((+/-)-N1-(4-((6-amino-4-methylpyridin-2-yl)methyl)...)
Show SMILES Cc1cc(N)nc(CC2CNCC2NCCNCCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H30ClN5/c1-15-10-19(27-21(23)11-15)12-17-13-25-14-20(17)26-9-8-24-7-6-16-2-4-18(22)5-3-16/h2-5,10-11,17,20,24-26H,6-9,12-14H2,1H3,(H2,23,27)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of human nNOS by hemoglobin capture assay


J Med Chem 52: 4533-7 (2009)


Article DOI: 10.1021/jm900380j
BindingDB Entry DOI: 10.7270/Q2TQ61G8
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50279391
PNG
((+/-)-N1-(4-((6-amino-4-methylpyridin-2-yl)methyl)...)
Show SMILES Cc1cc(N)nc(CC2CNCC2NCCNCCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H30ClN5/c1-15-10-19(27-21(23)11-15)12-17-13-25-14-20(17)26-9-8-24-7-6-16-2-4-18(22)5-3-16/h2-5,10-11,17,20,24-26H,6-9,12-14H2,1H3,(H2,23,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of wild type rat nNOS by hemoglobin capture assay


J Med Chem 52: 4533-7 (2009)


Article DOI: 10.1021/jm900380j
BindingDB Entry DOI: 10.7270/Q2TQ61G8
More data for this
Ligand-Target Pair