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6 similar compounds to monomer 50062143

Compile data set for download or QSAR
Wt: 194.3
BDBM50062134
Wt: 166.2
BDBM50164778
Wt: 166.2
BDBM50164779
Wt: 152.2
BDBM50164781
Wt: 166.2
BDBM50164782
Wt: 152.2
BDBM50164783

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50062134,50164778,50164779,50164781,50164782,50164783   
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))
BDBM50062134
PNG
(6-Cyclohexylmethyl-piperidin-(2Z)-ylideneamine | C...)
Show SMILES NC1=NC(CC2CCCCC2)CCC1
Show InChI InChI=1/C12H22N2/c13-12-8-4-7-11(14-12)9-10-5-2-1-3-6-10/h10-11H,1-9H2,(H2,13,14)
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n/an/a 2.80E+4n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Neuronal nitric oxide synthase


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50164782
PNG
((4R,4aR,5R)-4-Methyl-octahydro-quinolin-(2E)-ylide...)
Show SMILES C[C@@H]1CC(N)=N[C@@H]2CCCC[C@H]12
Show InChI InChI=1S/C10H18N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h7-9H,2-6H2,1H3,(H2,11,12)/t7-,8-,9-/m1/s1
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n/an/a 830n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Endothelial nitric oxide synthase (eNOS)


Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50062134
PNG
(6-Cyclohexylmethyl-piperidin-(2Z)-ylideneamine | C...)
Show SMILES NC1=NC(CC2CCCCC2)CCC1
Show InChI InChI=1/C12H22N2/c13-12-8-4-7-11(14-12)9-10-5-2-1-3-6-10/h10-11H,1-9H2,(H2,13,14)
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PubMed
n/an/a 3.75E+5n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
inhibition of human endothelial constitutive Endothelial nitric oxide synthase (heNOS)


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50164778
PNG
((4S,4aS,5S)-4-Methyl-octahydro-quinolin-(2E)-ylide...)
Show SMILES C[C@H]1CC(N)=N[C@H]2CCCC[C@@H]12
Show InChI InChI=1S/C10H18N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h7-9H,2-6H2,1H3,(H2,11,12)/t7-,8-,9-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inducible nitric oxide synthase (iNOS)


Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50164778
PNG
((4S,4aS,5S)-4-Methyl-octahydro-quinolin-(2E)-ylide...)
Show SMILES C[C@H]1CC(N)=N[C@H]2CCCC[C@@H]12
Show InChI InChI=1S/C10H18N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h7-9H,2-6H2,1H3,(H2,11,12)/t7-,8-,9-/m0/s1
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n/an/a 610n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)


Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50164779
PNG
((4R,4aS,5S)-4-Methyl-octahydro-quinolin-(2E)-ylide...)
Show SMILES C[C@@H]1CC(N)=N[C@H]2CCCC[C@@H]12
Show InChI InChI=1S/C10H18N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h7-9H,2-6H2,1H3,(H2,11,12)/t7-,8+,9+/m1/s1
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PC sid
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PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Endothelial nitric oxide synthase (eNOS)


Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50164781
PNG
((5S,6S)-[Octahydro-quinolin-(2E)-ylidene]amine | C...)
Show SMILES NC1=N[C@H]2CCCC[C@H]2CC1
Show InChI InChI=1S/C9H16N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-8H,1-6H2,(H2,10,11)/t7-,8-/m0/s1
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n/an/a 186n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inducible nitric oxide synthase (iNOS)


Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50164779
PNG
((4R,4aS,5S)-4-Methyl-octahydro-quinolin-(2E)-ylide...)
Show SMILES C[C@@H]1CC(N)=N[C@H]2CCCC[C@@H]12
Show InChI InChI=1S/C10H18N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h7-9H,2-6H2,1H3,(H2,11,12)/t7-,8+,9+/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inducible nitric oxide synthase (iNOS)


Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50164782
PNG
((4R,4aR,5R)-4-Methyl-octahydro-quinolin-(2E)-ylide...)
Show SMILES C[C@@H]1CC(N)=N[C@@H]2CCCC[C@H]12
Show InChI InChI=1S/C10H18N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h7-9H,2-6H2,1H3,(H2,11,12)/t7-,8-,9-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inducible nitric oxide synthase (iNOS)


Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50164783
PNG
((5S,6R)-[Octahydro-quinolin-(2E)-ylidene]amine | C...)
Show SMILES NC1=N[C@H]2CCCC[C@@H]2CC1
Show InChI InChI=1S/C9H16N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-8H,1-6H2,(H2,10,11)/t7-,8+/m1/s1
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n/an/a 528n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inducible nitric oxide synthase (iNOS)


Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50164783
PNG
((5S,6R)-[Octahydro-quinolin-(2E)-ylidene]amine | C...)
Show SMILES NC1=N[C@H]2CCCC[C@@H]2CC1
Show InChI InChI=1S/C9H16N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-8H,1-6H2,(H2,10,11)/t7-,8+/m1/s1
PDB

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Endothelial nitric oxide synthase (eNOS)


Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50164781
PNG
((5S,6S)-[Octahydro-quinolin-(2E)-ylidene]amine | C...)
Show SMILES NC1=N[C@H]2CCCC[C@H]2CC1
Show InChI InChI=1S/C9H16N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-8H,1-6H2,(H2,10,11)/t7-,8-/m0/s1
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n/an/a 246n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)


Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50164783
PNG
((5S,6R)-[Octahydro-quinolin-(2E)-ylidene]amine | C...)
Show SMILES NC1=N[C@H]2CCCC[C@@H]2CC1
Show InChI InChI=1S/C9H16N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-8H,1-6H2,(H2,10,11)/t7-,8+/m1/s1
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n/an/a 530n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)


Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50164779
PNG
((4R,4aS,5S)-4-Methyl-octahydro-quinolin-(2E)-ylide...)
Show SMILES C[C@@H]1CC(N)=N[C@H]2CCCC[C@@H]12
Show InChI InChI=1S/C10H18N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h7-9H,2-6H2,1H3,(H2,11,12)/t7-,8+,9+/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)


Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50164778
PNG
((4S,4aS,5S)-4-Methyl-octahydro-quinolin-(2E)-ylide...)
Show SMILES C[C@H]1CC(N)=N[C@H]2CCCC[C@@H]12
Show InChI InChI=1S/C10H18N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h7-9H,2-6H2,1H3,(H2,11,12)/t7-,8-,9-/m0/s1
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PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Endothelial nitric oxide synthase (eNOS)


Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50164782
PNG
((4R,4aR,5R)-4-Methyl-octahydro-quinolin-(2E)-ylide...)
Show SMILES C[C@@H]1CC(N)=N[C@@H]2CCCC[C@H]12
Show InChI InChI=1S/C10H18N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h7-9H,2-6H2,1H3,(H2,11,12)/t7-,8-,9-/m1/s1
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n/an/a 53n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)


Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50164781
PNG
((5S,6S)-[Octahydro-quinolin-(2E)-ylidene]amine | C...)
Show SMILES NC1=N[C@H]2CCCC[C@H]2CC1
Show InChI InChI=1S/C9H16N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-8H,1-6H2,(H2,10,11)/t7-,8-/m0/s1
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n/an/a 1.25E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Endothelial nitric oxide synthase (eNOS)


Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50062134
PNG
(6-Cyclohexylmethyl-piperidin-(2Z)-ylideneamine | C...)
Show SMILES NC1=NC(CC2CCCCC2)CCC1
Show InChI InChI=1/C12H22N2/c13-12-8-4-7-11(14-12)9-10-5-2-1-3-6-10/h10-11H,1-9H2,(H2,13,14)
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n/an/a 5.90E+3n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Inducible nitric oxide synthase


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
More data for this
Ligand-Target Pair