BindingDB logo
myBDB logout

BDBM50279393 (+/-)-6-((4-(2-(3-fluorophenethoxy)ethylamino)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine::CHEMBL484825

SMILES: Cc1cc(N)nc(CC2CNCC2NCCOCCc2cccc(F)c2)c1

InChI Key: InChIKey=AQFHFNHZQKRGMW-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50279393   
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))
BDBM50279393
PNG
((+/-)-6-((4-(2-(3-fluorophenethoxy)ethylamino)pyrr...)
Show SMILES Cc1cc(N)nc(CC2CNCC2NCCOCCc2cccc(F)c2)c1
Show InChI InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-24-14-20(17)25-6-8-27-7-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.60E+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))
BDBM50279393
PNG
((+/-)-6-((4-(2-(3-fluorophenethoxy)ethylamino)pyrr...)
Show SMILES Cc1cc(N)nc(CC2CNCC2NCCOCCc2cccc(F)c2)c1
Show InChI InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-24-14-20(17)25-6-8-27-7-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+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