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2 similar compounds to monomer 50150929

Compile data set for download or QSAR
Wt: 126.1
BDBM50150930
Wt: 124.1
BDBM50150935

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50150930,50150935   
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))
BDBM50150930
PNG
(4-Ethyl-3-methyl-pyrrolidin-(2Z)-ylideneamine | CH...)
Show SMILES CCC1CN=C(N)C1C
Show InChI InChI=1/C7H14N2/c1-3-6-4-9-7(8)5(6)2/h5-6H,3-4H2,1-2H3,(H2,8,9)
PDB

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PC sid
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Article
PubMed
n/an/a 6.06E+4n/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, brain


(Homo sapiens (Human))
BDBM50150935
PNG
(CHEMBL365849 | Hexahydro-cyclopenta[c]pyrrol-(1Z)-...)
Show SMILES NC1=NCC2CCCC12
Show InChI InChI=1/C7H12N2/c8-7-6-3-1-2-5(6)4-9-7/h5-6H,1-4H2,(H2,8,9)
PDB
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PC sid
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Article
PubMed
n/an/a 310n/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))
BDBM50150935
PNG
(CHEMBL365849 | Hexahydro-cyclopenta[c]pyrrol-(1Z)-...)
Show SMILES NC1=NCC2CCCC12
Show InChI InChI=1/C7H12N2/c8-7-6-3-1-2-5(6)4-9-7/h5-6H,1-4H2,(H2,8,9)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.70E+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))
BDBM50150930
PNG
(4-Ethyl-3-methyl-pyrrolidin-(2Z)-ylideneamine | CH...)
Show SMILES CCC1CN=C(N)C1C
Show InChI InChI=1/C7H14N2/c1-3-6-4-9-7(8)5(6)2/h5-6H,3-4H2,1-2H3,(H2,8,9)
PDB
MMDB

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Article
PubMed
n/an/a 930n/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))
BDBM50150935
PNG
(CHEMBL365849 | Hexahydro-cyclopenta[c]pyrrol-(1Z)-...)
Show SMILES NC1=NCC2CCCC12
Show InChI InChI=1/C7H12N2/c8-7-6-3-1-2-5(6)4-9-7/h5-6H,1-4H2,(H2,8,9)
PDB
MMDB

NCI pathway
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Article
PubMed
n/an/a 3.10E+3n/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))
BDBM50150930
PNG
(4-Ethyl-3-methyl-pyrrolidin-(2Z)-ylideneamine | CH...)
Show SMILES CCC1CN=C(N)C1C
Show InChI InChI=1/C7H14N2/c1-3-6-4-9-7(8)5(6)2/h5-6H,3-4H2,1-2H3,(H2,8,9)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 610n/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