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7 similar compounds to monomer 50206076

Compile data set for download or QSAR
Wt: 465.6
BDBM50206080
Wt: 491.6
BDBM50206063
Wt: 447.6
BDBM50206064
Wt: 477.6
BDBM50206065
Wt: 540.5
BDBM50206068
Wt: 441.6
BDBM50206069
Wt: 505.6
BDBM50206075

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50206080,50206063,50206064,50206065,50206068,50206069,50206075   
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))
BDBM50206063
PNG
(4-(4-{6-[(thiophene-2-carboximidoyl)-amino]-benzot...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(Cc4ccc(cc4)C(O)=O)CC3)sc2c1)c1cccs1
Show InChI InChI=1S/C25H25N5O2S2/c26-23(21-2-1-13-33-21)27-19-7-8-20-22(14-19)34-25(29-20)28-18-9-11-30(12-10-18)15-16-3-5-17(6-4-16)24(31)32/h1-8,13-14,18H,9-12,15H2,(H2,26,27)(H,28,29)(H,31,32)
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n/an/a 5.90E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human endothelial NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50206065
PNG
(CHEMBL233655 | N-{2-[1-(3-methoxy-benzyl)-piperidi...)
Show SMILES COc1cccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)c1
Show InChI InChI=1S/C25H27N5OS2/c1-31-20-5-2-4-17(14-20)16-30-11-9-18(10-12-30)28-25-29-21-8-7-19(15-23(21)33-25)27-24(26)22-6-3-13-32-22/h2-8,13-15,18H,9-12,16H2,1H3,(H2,26,27)(H,28,29)
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n/an/a 100n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human neuronal NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50206065
PNG
(CHEMBL233655 | N-{2-[1-(3-methoxy-benzyl)-piperidi...)
Show SMILES COc1cccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)c1
Show InChI InChI=1S/C25H27N5OS2/c1-31-20-5-2-4-17(14-20)16-30-11-9-18(10-12-30)28-25-29-21-8-7-19(15-23(21)33-25)27-24(26)22-6-3-13-32-22/h2-8,13-15,18H,9-12,16H2,1H3,(H2,26,27)(H,28,29)
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n/an/a 6.70E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat neuronal NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50206068
PNG
(CHEMBL233654 | N-(2-{1-[2-(4-Bromo-phenyl)-ethyl]-...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(CCc4ccc(Br)cc4)CC3)sc2c1)c1cccs1
Show InChI InChI=1S/C25H26BrN5S2/c26-18-5-3-17(4-6-18)9-12-31-13-10-19(11-14-31)29-25-30-21-8-7-20(16-23(21)33-25)28-24(27)22-2-1-15-32-22/h1-8,15-16,19H,9-14H2,(H2,27,28)(H,29,30)
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n/an/a 4.70E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat neuronal NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50206069
PNG
(CHEMBL389312 | N-{2-[1-(tetrahydro-pyran-4-yl)-pip...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(CC3)C3CCOCC3)sc2c1)c1cccs1
Show InChI InChI=1S/C22H27N5OS2/c23-21(19-2-1-13-29-19)24-16-3-4-18-20(14-16)30-22(26-18)25-15-5-9-27(10-6-15)17-7-11-28-12-8-17/h1-4,13-15,17H,5-12H2,(H2,23,24)(H,25,26)
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n/an/a 1.60E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human endothelial NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Rattus norvegicus)
BDBM50206064
PNG
(CHEMBL233857 | N-[2-(1-benzyl-piperidin-4-ylamino)...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(Cc4ccccc4)CC3)sc2c1)c1cccs1
Show InChI InChI=1S/C24H25N5S2/c25-23(21-7-4-14-30-21)26-19-8-9-20-22(15-19)31-24(28-20)27-18-10-12-29(13-11-18)16-17-5-2-1-3-6-17/h1-9,14-15,18H,10-13,16H2,(H2,25,26)(H,27,28)
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n/an/a 1.25E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat endothelial NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50206069
PNG
(CHEMBL389312 | N-{2-[1-(tetrahydro-pyran-4-yl)-pip...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(CC3)C3CCOCC3)sc2c1)c1cccs1
Show InChI InChI=1S/C22H27N5OS2/c23-21(19-2-1-13-29-19)24-16-3-4-18-20(14-16)30-22(26-18)25-15-5-9-27(10-6-15)17-7-11-28-12-8-17/h1-4,13-15,17H,5-12H2,(H2,23,24)(H,25,26)
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n/an/a 2.00E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human neuronal NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50206064
PNG
(CHEMBL233857 | N-[2-(1-benzyl-piperidin-4-ylamino)...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(Cc4ccccc4)CC3)sc2c1)c1cccs1
Show InChI InChI=1S/C24H25N5S2/c25-23(21-7-4-14-30-21)26-19-8-9-20-22(15-19)31-24(28-20)27-18-10-12-29(13-11-18)16-17-5-2-1-3-6-17/h1-9,14-15,18H,10-13,16H2,(H2,25,26)(H,27,28)
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n/an/a 3.60E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat inducible NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50206075
PNG
(4-(4-{6-[(thiophene-2-carboximidoyl)-amino]-benzot...)
Show SMILES COC(=O)c1ccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)cc1
Show InChI InChI=1S/C26H27N5O2S2/c1-33-25(32)18-6-4-17(5-7-18)16-31-12-10-19(11-13-31)29-26-30-21-9-8-20(15-23(21)35-26)28-24(27)22-3-2-14-34-22/h2-9,14-15,19H,10-13,16H2,1H3,(H2,27,28)(H,29,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human inducible NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50206068
PNG
(CHEMBL233654 | N-(2-{1-[2-(4-Bromo-phenyl)-ethyl]-...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(CCc4ccc(Br)cc4)CC3)sc2c1)c1cccs1
Show InChI InChI=1S/C25H26BrN5S2/c26-18-5-3-17(4-6-18)9-12-31-13-10-19(11-14-31)29-25-30-21-8-7-20(16-23(21)33-25)28-24(27)22-2-1-15-32-22/h1-8,15-16,19H,9-14H2,(H2,27,28)(H,29,30)
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n/an/a 4.40E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human neuronal NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50206075
PNG
(4-(4-{6-[(thiophene-2-carboximidoyl)-amino]-benzot...)
Show SMILES COC(=O)c1ccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)cc1
Show InChI InChI=1S/C26H27N5O2S2/c1-33-25(32)18-6-4-17(5-7-18)16-31-12-10-19(11-13-31)29-26-30-21-9-8-20(15-23(21)35-26)28-24(27)22-3-2-14-34-22/h2-9,14-15,19H,10-13,16H2,1H3,(H2,27,28)(H,29,30)
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n/an/a 5.20E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human endothelial NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50206069
PNG
(CHEMBL389312 | N-{2-[1-(tetrahydro-pyran-4-yl)-pip...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(CC3)C3CCOCC3)sc2c1)c1cccs1
Show InChI InChI=1S/C22H27N5OS2/c23-21(19-2-1-13-29-19)24-16-3-4-18-20(14-16)30-22(26-18)25-15-5-9-27(10-6-15)17-7-11-28-12-8-17/h1-4,13-15,17H,5-12H2,(H2,23,24)(H,25,26)
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n/an/a 6.40E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human inducible NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50206068
PNG
(CHEMBL233654 | N-(2-{1-[2-(4-Bromo-phenyl)-ethyl]-...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(CCc4ccc(Br)cc4)CC3)sc2c1)c1cccs1
Show InChI InChI=1S/C25H26BrN5S2/c26-18-5-3-17(4-6-18)9-12-31-13-10-19(11-14-31)29-25-30-21-8-7-20(16-23(21)33-25)28-24(27)22-2-1-15-32-22/h1-8,15-16,19H,9-14H2,(H2,27,28)(H,29,30)
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n/an/a 7.50E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human inducible NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50206065
PNG
(CHEMBL233655 | N-{2-[1-(3-methoxy-benzyl)-piperidi...)
Show SMILES COc1cccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)c1
Show InChI InChI=1S/C25H27N5OS2/c1-31-20-5-2-4-17(14-20)16-30-11-9-18(10-12-30)28-25-29-21-8-7-19(15-23(21)33-25)27-24(26)22-6-3-13-32-22/h2-8,13-15,18H,9-12,16H2,1H3,(H2,26,27)(H,28,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human inducible NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50206064
PNG
(CHEMBL233857 | N-[2-(1-benzyl-piperidin-4-ylamino)...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(Cc4ccccc4)CC3)sc2c1)c1cccs1
Show InChI InChI=1S/C24H25N5S2/c25-23(21-7-4-14-30-21)26-19-8-9-20-22(15-19)31-24(28-20)27-18-10-12-29(13-11-18)16-17-5-2-1-3-6-17/h1-9,14-15,18H,10-13,16H2,(H2,25,26)(H,27,28)
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n/an/a 500n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human neuronal NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50206063
PNG
(4-(4-{6-[(thiophene-2-carboximidoyl)-amino]-benzot...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(Cc4ccc(cc4)C(O)=O)CC3)sc2c1)c1cccs1
Show InChI InChI=1S/C25H25N5O2S2/c26-23(21-2-1-13-33-21)27-19-7-8-20-22(14-19)34-25(29-20)28-18-9-11-30(12-10-18)15-16-3-5-17(6-4-16)24(31)32/h1-8,13-14,18H,9-12,15H2,(H2,26,27)(H,28,29)(H,31,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human inducible NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50206080
PNG
(CHEMBL233444 | N-{2-[1-(4-fluoro-benzyl)-piperidin...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(Cc4ccc(F)cc4)CC3)sc2c1)c1cccs1
Show InChI InChI=1S/C24H24FN5S2/c25-17-5-3-16(4-6-17)15-30-11-9-18(10-12-30)28-24-29-20-8-7-19(14-22(20)32-24)27-23(26)21-2-1-13-31-21/h1-8,13-14,18H,9-12,15H2,(H2,26,27)(H,28,29)
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n/an/a 8.00E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human endothelial NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Rattus norvegicus)
BDBM50206065
PNG
(CHEMBL233655 | N-{2-[1-(3-methoxy-benzyl)-piperidi...)
Show SMILES COc1cccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)c1
Show InChI InChI=1S/C25H27N5OS2/c1-31-20-5-2-4-17(14-20)16-30-11-9-18(10-12-30)28-25-29-21-8-7-19(15-23(21)33-25)27-24(26)22-6-3-13-32-22/h2-8,13-15,18H,9-12,16H2,1H3,(H2,26,27)(H,28,29)
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n/an/a 1.30E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat endothelial NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50206065
PNG
(CHEMBL233655 | N-{2-[1-(3-methoxy-benzyl)-piperidi...)
Show SMILES COc1cccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)c1
Show InChI InChI=1S/C25H27N5OS2/c1-31-20-5-2-4-17(14-20)16-30-11-9-18(10-12-30)28-25-29-21-8-7-19(15-23(21)33-25)27-24(26)22-6-3-13-32-22/h2-8,13-15,18H,9-12,16H2,1H3,(H2,26,27)(H,28,29)
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n/an/a 3.80E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human endothelial NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50206065
PNG
(CHEMBL233655 | N-{2-[1-(3-methoxy-benzyl)-piperidi...)
Show SMILES COc1cccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)c1
Show InChI InChI=1S/C25H27N5OS2/c1-31-20-5-2-4-17(14-20)16-30-11-9-18(10-12-30)28-25-29-21-8-7-19(15-23(21)33-25)27-24(26)22-6-3-13-32-22/h2-8,13-15,18H,9-12,16H2,1H3,(H2,26,27)(H,28,29)
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n/an/a 1.90E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat inducible NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50206063
PNG
(4-(4-{6-[(thiophene-2-carboximidoyl)-amino]-benzot...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(Cc4ccc(cc4)C(O)=O)CC3)sc2c1)c1cccs1
Show InChI InChI=1S/C25H25N5O2S2/c26-23(21-2-1-13-33-21)27-19-7-8-20-22(14-19)34-25(29-20)28-18-9-11-30(12-10-18)15-16-3-5-17(6-4-16)24(31)32/h1-8,13-14,18H,9-12,15H2,(H2,26,27)(H,28,29)(H,31,32)
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n/an/a 5.10E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human neuronal NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50206064
PNG
(CHEMBL233857 | N-[2-(1-benzyl-piperidin-4-ylamino)...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(Cc4ccccc4)CC3)sc2c1)c1cccs1
Show InChI InChI=1S/C24H25N5S2/c25-23(21-7-4-14-30-21)26-19-8-9-20-22(15-19)31-24(28-20)27-18-10-12-29(13-11-18)16-17-5-2-1-3-6-17/h1-9,14-15,18H,10-13,16H2,(H2,25,26)(H,27,28)
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n/an/a 1.40E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human inducible NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50206068
PNG
(CHEMBL233654 | N-(2-{1-[2-(4-Bromo-phenyl)-ethyl]-...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(CCc4ccc(Br)cc4)CC3)sc2c1)c1cccs1
Show InChI InChI=1S/C25H26BrN5S2/c26-18-5-3-17(4-6-18)9-12-31-13-10-19(11-14-31)29-25-30-21-8-7-20(16-23(21)33-25)28-24(27)22-2-1-15-32-22/h1-8,15-16,19H,9-14H2,(H2,27,28)(H,29,30)
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n/an/a 2.10E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human endothelial NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Rattus norvegicus)
BDBM50206068
PNG
(CHEMBL233654 | N-(2-{1-[2-(4-Bromo-phenyl)-ethyl]-...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(CCc4ccc(Br)cc4)CC3)sc2c1)c1cccs1
Show InChI InChI=1S/C25H26BrN5S2/c26-18-5-3-17(4-6-18)9-12-31-13-10-19(11-14-31)29-25-30-21-8-7-20(16-23(21)33-25)28-24(27)22-2-1-15-32-22/h1-8,15-16,19H,9-14H2,(H2,27,28)(H,29,30)
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n/an/a 5.20E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat endothelial NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50206080
PNG
(CHEMBL233444 | N-{2-[1-(4-fluoro-benzyl)-piperidin...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(Cc4ccc(F)cc4)CC3)sc2c1)c1cccs1
Show InChI InChI=1S/C24H24FN5S2/c25-17-5-3-16(4-6-17)15-30-11-9-18(10-12-30)28-24-29-20-8-7-19(14-22(20)32-24)27-23(26)21-2-1-13-31-21/h1-8,13-14,18H,9-12,15H2,(H2,26,27)(H,28,29)
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n/an/a 200n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human neuronal NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50206080
PNG
(CHEMBL233444 | N-{2-[1-(4-fluoro-benzyl)-piperidin...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(Cc4ccc(F)cc4)CC3)sc2c1)c1cccs1
Show InChI InChI=1S/C24H24FN5S2/c25-17-5-3-16(4-6-17)15-30-11-9-18(10-12-30)28-24-29-20-8-7-19(14-22(20)32-24)27-23(26)21-2-1-13-31-21/h1-8,13-14,18H,9-12,15H2,(H2,26,27)(H,28,29)
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n/an/a 1.40E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human inducible NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50206064
PNG
(CHEMBL233857 | N-[2-(1-benzyl-piperidin-4-ylamino)...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(Cc4ccccc4)CC3)sc2c1)c1cccs1
Show InChI InChI=1S/C24H25N5S2/c25-23(21-7-4-14-30-21)26-19-8-9-20-22(15-19)31-24(28-20)27-18-10-12-29(13-11-18)16-17-5-2-1-3-6-17/h1-9,14-15,18H,10-13,16H2,(H2,25,26)(H,27,28)
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n/an/a 90n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat neuronal NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50206075
PNG
(4-(4-{6-[(thiophene-2-carboximidoyl)-amino]-benzot...)
Show SMILES COC(=O)c1ccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)cc1
Show InChI InChI=1S/C26H27N5O2S2/c1-33-25(32)18-6-4-17(5-7-18)16-31-12-10-19(11-13-31)29-26-30-21-9-8-20(15-23(21)35-26)28-24(27)22-3-2-14-34-22/h2-9,14-15,19H,10-13,16H2,1H3,(H2,27,28)(H,29,30)
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n/an/a 300n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human neuronal NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50206064
PNG
(CHEMBL233857 | N-[2-(1-benzyl-piperidin-4-ylamino)...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(Cc4ccccc4)CC3)sc2c1)c1cccs1
Show InChI InChI=1S/C24H25N5S2/c25-23(21-7-4-14-30-21)26-19-8-9-20-22(15-19)31-24(28-20)27-18-10-12-29(13-11-18)16-17-5-2-1-3-6-17/h1-9,14-15,18H,10-13,16H2,(H2,25,26)(H,27,28)
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n/an/a 6.00E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human endothelial NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair