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SMILES: CN(C)CCCN1CCCc2cc(ccc12)N=C(N)c1cccs1

InChI Key: InChIKey=YTJHJFNOCXBJFN-UHFFFAOYSA-N

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 = 50357691   
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, endothelial


(Homo sapiens (Human))
BDBM50357691
PNG
(CHEMBL1915287)
Show SMILES CN(C)CCCN1CCCc2cc(ccc12)N=C(N)c1cccs1 |w:16.17|
Show InChI InChI=1S/C19H26N4S/c1-22(2)10-5-12-23-11-3-6-15-14-16(8-9-17(15)23)21-19(20)18-7-4-13-24-18/h4,7-9,13-14H,3,5-6,10-12H2,1-2H3,(H2,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.24E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant eNOS expressed in baculovirus infected Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline preincu...


J Med Chem 54: 5562-75 (2011)


Article DOI: 10.1021/jm200648s
BindingDB Entry DOI: 10.7270/Q2222V58
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50357691
PNG
(CHEMBL1915287)
Show SMILES CN(C)CCCN1CCCc2cc(ccc12)N=C(N)c1cccs1 |w:16.17|
Show InChI InChI=1S/C19H26N4S/c1-22(2)10-5-12-23-11-3-6-15-14-16(8-9-17(15)23)21-19(20)18-7-4-13-24-18/h4,7-9,13-14H,3,5-6,10-12H2,1-2H3,(H2,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 270n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in baculovirus infected Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline preincu...


J Med Chem 54: 5562-75 (2011)


Article DOI: 10.1021/jm200648s
BindingDB Entry DOI: 10.7270/Q2222V58
More data for this
Ligand-Target Pair