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BDBM50150915 5-Ethyl-3-methyl-pyrrolidin-(2Z)-ylideneamine::CHEMBL185585

SMILES: CCC1CC(C)C(N)=N1

InChI Key: InChIKey=WPWKHPKZOKESJR-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50150915   
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))
BDBM50150915
PNG
(5-Ethyl-3-methyl-pyrrolidin-(2Z)-ylideneamine | CH...)
Show SMILES CCC1CC(C)C(N)=N1
Show InChI InChI=1S/C7H14N2/c1-3-6-4-5(2)7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)
PDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Endothelial nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50150915
PNG
(5-Ethyl-3-methyl-pyrrolidin-(2Z)-ylideneamine | CH...)
Show SMILES CCC1CC(C)C(N)=N1
Show InChI InChI=1S/C7H14N2/c1-3-6-4-5(2)7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50150915
PNG
(5-Ethyl-3-methyl-pyrrolidin-(2Z)-ylideneamine | CH...)
Show SMILES CCC1CC(C)C(N)=N1
Show InChI InChI=1S/C7H14N2/c1-3-6-4-5(2)7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair