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BDBM50066778 5-Ethyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hydrochloride::CHEMBL185024::CHEMBL552935

SMILES: CCC1N=C(N)CC1C

InChI Key: InChIKey=APKCAWUHKKJFRX-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50066778   
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))
BDBM50066778
PNG
(5-Ethyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hyd...)
Show SMILES CCC1N=C(N)CC1C
Show InChI InChI=1S/C7H14N2/c1-3-6-5(2)4-7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase


J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50066778
PNG
(5-Ethyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hyd...)
Show SMILES CCC1N=C(N)CC1C
Show InChI InChI=1S/C7H14N2/c1-3-6-5(2)4-7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human endothelial constitutive Endothelial nitric oxide synthase (heNOS)


J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50066778
PNG
(5-Ethyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hyd...)
Show SMILES CCC1N=C(N)CC1C
Show InChI InChI=1S/C7H14N2/c1-3-6-5(2)4-7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 80n/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
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50066778
PNG
(5-Ethyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hyd...)
Show SMILES CCC1N=C(N)CC1C
Show InChI InChI=1S/C7H14N2/c1-3-6-5(2)4-7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)
PDB

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 520n/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))
BDBM50066778
PNG
(5-Ethyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hyd...)
Show SMILES CCC1N=C(N)CC1C
Show InChI InChI=1S/C7H14N2/c1-3-6-5(2)4-7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)
PDB
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PubMed
n/an/a 20n/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, inducible


(Homo sapiens (Human))
BDBM50066778
PNG
(5-Ethyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hyd...)
Show SMILES CCC1N=C(N)CC1C
Show InChI InChI=1S/C7H14N2/c1-3-6-5(2)4-7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)


J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair