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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, brain' and Ligand = 'BDBM50401271'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50401271
PNG
(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
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n/an/a 110n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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

Eur J Med Chem 55: 94-107 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50401271
PNG
(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
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n/an/a 750n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6

Eur J Med Chem 55: 94-107 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50401271
PNG
(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
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n/an/a 1.80E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of alpha1B adrenergic receptor

Eur J Med Chem 55: 94-107 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50401271
PNG
(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
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n/an/a 1.90E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of alpha1A adrenergic receptor

Eur J Med Chem 55: 94-107 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50401271
PNG
(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
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n/an/a 2.20E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5HT1B receptor

Eur J Med Chem 55: 94-107 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50401271
PNG
(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
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n/an/a 2.20E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of alpha1D adrenergic receptor

Eur J Med Chem 55: 94-107 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50401271
PNG
(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
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n/an/a 3.60E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M2 receptor

Eur J Med Chem 55: 94-107 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50401271
PNG
(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
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n/an/a 4.50E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M3 receptor

Eur J Med Chem 55: 94-107 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50401271
PNG
(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
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n/an/a 8.60E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M1 receptor

Eur J Med Chem 55: 94-107 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50401271
PNG
(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
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n/an/a 1.10E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of alpha2C adrenergic receptor

Eur J Med Chem 55: 94-107 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50401271
PNG
(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
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n/an/a 2.40E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of alpha2A adrenergic receptor

Eur J Med Chem 55: 94-107 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ
More data for this
Ligand-Target Pair