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Compile Data Set for Download or QSAR

Found 159 hits with Last Name = 'frick' and Initial = 'l'   
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))
BDBM50058459
PNG
(2-Ethyl-1-phenyl-isothiourea; hydriodide | CHEMBL4...)
Show SMILES CCSC(N)=Nc1ccccc1 |w:5.5|
Show InChI InChI=1S/C9H12N2S/c1-2-12-9(10)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,11)
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120n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50058469
PNG
(1-(4-Chloro-phenyl)-2-ethyl-isothiourea; hydrochlo...)
Show SMILES CCSC(N)=Nc1ccc(Cl)cc1 |w:5.5|
Show InChI InChI=1S/C9H11ClN2S/c1-2-13-9(11)12-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H2,11,12)
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140n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50058448
PNG
(2-Ethyl-1-(2-methoxy-phenyl)-isothiourea; hydrochl...)
Show SMILES CCSC(N)=Nc1ccccc1OC |w:5.5|
Show InChI InChI=1S/C10H14N2OS/c1-3-14-10(11)12-8-6-4-5-7-9(8)13-2/h4-7H,3H2,1-2H3,(H2,11,12)
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170n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50058441
PNG
(1-(2-Chloro-phenyl)-2-ethyl-isothiourea; hydrochlo...)
Show SMILES CCSC(N)=Nc1ccccc1Cl |w:5.5|
Show InChI InChI=1S/C9H11ClN2S/c1-2-13-9(11)12-8-6-4-3-5-7(8)10/h3-6H,2H2,1H3,(H2,11,12)
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170n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50058443
PNG
(2-Ethyl-1-p-tolyl-isothiourea; hydrochloride | CHE...)
Show SMILES CCSC(N)=Nc1ccc(C)cc1 |w:5.5|
Show InChI InChI=1S/C10H14N2S/c1-3-13-10(11)12-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,11,12)
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180n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50058445
PNG
(2-Ethyl-1-(4-phenoxy-phenyl)-isothiourea; hydriodi...)
Show SMILES CCSC(N)=Nc1ccc(Oc2ccccc2)cc1 |w:5.5|
Show InChI InChI=1S/C15H16N2OS/c1-2-19-15(16)17-12-8-10-14(11-9-12)18-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H2,16,17)
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190n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50058468
PNG
(1-(4-Benzyloxy-phenyl)-2-ethyl-isothiourea; hydrio...)
Show SMILES CCSC(N)=Nc1ccc(OCc2ccccc2)cc1 |w:5.5|
Show InChI InChI=1S/C16H18N2OS/c1-2-20-16(17)18-14-8-10-15(11-9-14)19-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H2,17,18)
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210n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50058440
PNG
(1-(2-Bromo-phenyl)-2-ethyl-isothiourea; hydriodide...)
Show SMILES CCSC(N)=Nc1ccccc1Br |w:5.5|
Show InChI InChI=1S/C9H11BrN2S/c1-2-13-9(11)12-8-6-4-3-5-7(8)10/h3-6H,2H2,1H3,(H2,11,12)
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250n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50058447
PNG
(2-Ethyl-1-(4-methoxy-phenyl)-isothiourea; hydriodi...)
Show SMILES CCSC(N)=Nc1ccc(OC)cc1 |w:5.5|
Show InChI InChI=1S/C10H14N2OS/c1-3-14-10(11)12-8-4-6-9(13-2)7-5-8/h4-7H,3H2,1-2H3,(H2,11,12)
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290n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50058464
PNG
(2-Ethyl-1-(4-trifluoromethyl-phenyl)-isothiourea; ...)
Show SMILES CCSC(N)=Nc1ccc(cc1)C(F)(F)F |w:5.5|
Show InChI InChI=1S/C10H11F3N2S/c1-2-16-9(14)15-8-5-3-7(4-6-8)10(11,12)13/h3-6H,2H2,1H3,(H2,14,15)
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320n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50058451
PNG
(2-Ethyl-1-(4-isopropyl-phenyl)-isothiourea; hydroc...)
Show SMILES CCSC(N)=Nc1ccc(cc1)C(C)C |w:5.5|
Show InChI InChI=1S/C12H18N2S/c1-4-15-12(13)14-11-7-5-10(6-8-11)9(2)3/h5-9H,4H2,1-3H3,(H2,13,14)
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330n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50058444
PNG
(2-Ethyl-1-(4-hydroxy-phenyl)-isothiourea; hydriodi...)
Show SMILES CCSC(N)=Nc1ccc(O)cc1 |w:5.5|
Show InChI InChI=1S/C9H12N2OS/c1-2-13-9(10)11-7-3-5-8(12)6-4-7/h3-6,12H,2H2,1H3,(H2,10,11)
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340n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50058459
PNG
(2-Ethyl-1-phenyl-isothiourea; hydriodide | CHEMBL4...)
Show SMILES CCSC(N)=Nc1ccccc1 |w:5.5|
Show InChI InChI=1S/C9H12N2S/c1-2-12-9(10)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,11)
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400n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human vascular endothelial nitric oxide synthase.


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50058455
PNG
(1-(3-Chloro-phenyl)-2-ethyl-isothiourea; hydrochlo...)
Show SMILES CCSC(N)=Nc1cccc(Cl)c1 |w:5.5|
Show InChI InChI=1S/C9H11ClN2S/c1-2-13-9(11)12-8-5-3-4-7(10)6-8/h3-6H,2H2,1H3,(H2,11,12)
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450n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50058442
PNG
(2-Ethyl-1-(3-methoxy-phenyl)-isothiourea; hydriodi...)
Show SMILES CCSC(N)=Nc1cccc(OC)c1 |w:5.5|
Show InChI InChI=1S/C10H14N2OS/c1-3-14-10(11)12-8-5-4-6-9(7-8)13-2/h4-7H,3H2,1-2H3,(H2,11,12)
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560n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50058452
PNG
(1-(4-Chloro-phenyl)-2-methyl-isothiourea; hydriodi...)
Show SMILES CSC(N)=Nc1ccc(Cl)cc1 |w:4.4|
Show InChI InChI=1S/C8H9ClN2S/c1-12-8(10)11-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11)
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570n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50058454
PNG
(2-Ethyl-1-(4-nitro-phenyl)-isothiourea; hydriodide...)
Show SMILES CCS\C([NH-])=[NH+]\c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C9H10N3O2S/c1-2-15-9(10)11-7-3-5-8(6-4-7)12(13)14/h3-6H,2H2,1H3,(H-,10,11)/q-1/p+1
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660n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50058453
PNG
(2-Ethyl-1-(4-trifluoromethoxy-phenyl)-isothiourea;...)
Show SMILES CCSC(N)=Nc1ccc(OC(F)(F)F)cc1 |w:5.5|
Show InChI InChI=1S/C10H11F3N2OS/c1-2-17-9(14)15-7-3-5-8(6-4-7)16-10(11,12)13/h3-6H,2H2,1H3,(H2,14,15)
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700n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50058456
PNG
(2-Ethyl-1-pyridin-4-yl-isothiourea; hydrofluoride ...)
Show SMILES CCSC(N)=Nc1ccncc1 |w:5.5|
Show InChI InChI=1S/C8H11N3S/c1-2-12-8(9)11-7-3-5-10-6-4-7/h3-6H,2H2,1H3,(H2,9,10,11)
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800n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50058459
PNG
(2-Ethyl-1-phenyl-isothiourea; hydriodide | CHEMBL4...)
Show SMILES CCSC(N)=Nc1ccccc1 |w:5.5|
Show InChI InChI=1S/C9H12N2S/c1-2-12-9(10)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,11)
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870n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50058469
PNG
(1-(4-Chloro-phenyl)-2-ethyl-isothiourea; hydrochlo...)
Show SMILES CCSC(N)=Nc1ccc(Cl)cc1 |w:5.5|
Show InChI InChI=1S/C9H11ClN2S/c1-2-13-9(11)12-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H2,11,12)
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900n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human vascular endothelial nitric oxide synthase.


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50058446
PNG
(2-Ethyl-1-pyridin-3-yl-isothiourea; hydrochloride ...)
Show SMILES CCSC(N)=Nc1cccnc1 |w:5.5|
Show InChI InChI=1S/C8H11N3S/c1-2-12-8(9)11-7-4-3-5-10-6-7/h3-6H,2H2,1H3,(H2,9,11)
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1.00E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50058443
PNG
(2-Ethyl-1-p-tolyl-isothiourea; hydrochloride | CHE...)
Show SMILES CCSC(N)=Nc1ccc(C)cc1 |w:5.5|
Show InChI InChI=1S/C10H14N2S/c1-3-13-10(11)12-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,11,12)
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1.00E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human vascular endothelial nitric oxide synthase.


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50058470
PNG
(2-Ethyl-1-(3-trifluoromethyl-phenyl)-isothiourea; ...)
Show SMILES CCSC(N)=Nc1cccc(c1)C(F)(F)F |w:5.5|
Show InChI InChI=1S/C10H11F3N2S/c1-2-16-9(14)15-8-5-3-4-7(6-8)10(11,12)13/h3-6H,2H2,1H3,(H2,14,15)
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1.10E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50058439
PNG
(2-Ethyl-1-(2-isopropyl-phenyl)-isothiourea; hydroc...)
Show SMILES CCSC(N)=Nc1ccccc1C(C)C |w:5.5|
Show InChI InChI=1S/C12H18N2S/c1-4-15-12(13)14-11-8-6-5-7-10(11)9(2)3/h5-9H,4H2,1-3H3,(H2,13,14)
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1.10E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50058458
PNG
(2-Ethyl-1-(2-trifluoromethyl-phenyl)-isothiourea; ...)
Show SMILES CCSC(N)=Nc1ccccc1C(F)(F)F |w:5.5|
Show InChI InChI=1S/C10H11F3N2S/c1-2-16-9(14)15-8-6-4-3-5-7(8)10(11,12)13/h3-6H,2H2,1H3,(H2,14,15)
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1.40E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50058450
PNG
(1-(4-Dimethylamino-phenyl)-2-ethyl-isothiourea; hy...)
Show SMILES CCSC(N)=Nc1ccc(cc1)N(C)C |w:5.5|
Show InChI InChI=1S/C11H17N3S/c1-4-15-11(12)13-9-5-7-10(8-6-9)14(2)3/h5-8H,4H2,1-3H3,(H2,12,13)
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1.40E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50058448
PNG
(2-Ethyl-1-(2-methoxy-phenyl)-isothiourea; hydrochl...)
Show SMILES CCSC(N)=Nc1ccccc1OC |w:5.5|
Show InChI InChI=1S/C10H14N2OS/c1-3-14-10(11)12-8-6-4-5-7-9(8)13-2/h4-7H,3H2,1-2H3,(H2,11,12)
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1.40E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50058460
PNG
(1-(4-Cyclohexyl-phenyl)-2-ethyl-isothiourea; hydri...)
Show SMILES CCSC(N)=Nc1ccc(cc1)C1CCCCC1 |w:5.5|
Show InChI InChI=1S/C15H22N2S/c1-2-18-15(16)17-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h8-12H,2-7H2,1H3,(H2,16,17)
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1.50E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50058448
PNG
(2-Ethyl-1-(2-methoxy-phenyl)-isothiourea; hydrochl...)
Show SMILES CCSC(N)=Nc1ccccc1OC |w:5.5|
Show InChI InChI=1S/C10H14N2OS/c1-3-14-10(11)12-8-6-4-5-7-9(8)13-2/h4-7H,3H2,1-2H3,(H2,11,12)
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1.60E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human vascular endothelial nitric oxide synthase.


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50058449
PNG
(4-(2-Ethyl-isothioureido)-benzoic acid ethyl ester...)
Show SMILES CCOC(=O)c1ccc(cc1)N=C(N)SCC |w:11.11|
Show InChI InChI=1S/C12H16N2O2S/c1-3-16-11(15)9-5-7-10(8-6-9)14-12(13)17-4-2/h5-8H,3-4H2,1-2H3,(H2,13,14)
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1.60E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50058455
PNG
(1-(3-Chloro-phenyl)-2-ethyl-isothiourea; hydrochlo...)
Show SMILES CCSC(N)=Nc1cccc(Cl)c1 |w:5.5|
Show InChI InChI=1S/C9H11ClN2S/c1-2-13-9(11)12-8-5-3-4-7(10)6-8/h3-6H,2H2,1H3,(H2,11,12)
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1.80E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human vascular endothelial nitric oxide synthase.


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50058441
PNG
(1-(2-Chloro-phenyl)-2-ethyl-isothiourea; hydrochlo...)
Show SMILES CCSC(N)=Nc1ccccc1Cl |w:5.5|
Show InChI InChI=1S/C9H11ClN2S/c1-2-13-9(11)12-8-6-4-3-5-7(8)10/h3-6H,2H2,1H3,(H2,11,12)
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1.80E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human vascular endothelial nitric oxide synthase.


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50058443
PNG
(2-Ethyl-1-p-tolyl-isothiourea; hydrochloride | CHE...)
Show SMILES CCSC(N)=Nc1ccc(C)cc1 |w:5.5|
Show InChI InChI=1S/C10H14N2S/c1-3-13-10(11)12-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,11,12)
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1.90E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50058440
PNG
(1-(2-Bromo-phenyl)-2-ethyl-isothiourea; hydriodide...)
Show SMILES CCSC(N)=Nc1ccccc1Br |w:5.5|
Show InChI InChI=1S/C9H11BrN2S/c1-2-13-9(11)12-8-6-4-3-5-7(8)10/h3-6H,2H2,1H3,(H2,11,12)
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2.00E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human vascular endothelial nitric oxide synthase.


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50058455
PNG
(1-(3-Chloro-phenyl)-2-ethyl-isothiourea; hydrochlo...)
Show SMILES CCSC(N)=Nc1cccc(Cl)c1 |w:5.5|
Show InChI InChI=1S/C9H11ClN2S/c1-2-13-9(11)12-8-5-3-4-7(10)6-8/h3-6H,2H2,1H3,(H2,11,12)
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2.40E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50058444
PNG
(2-Ethyl-1-(4-hydroxy-phenyl)-isothiourea; hydriodi...)
Show SMILES CCSC(N)=Nc1ccc(O)cc1 |w:5.5|
Show InChI InChI=1S/C9H12N2OS/c1-2-13-9(10)11-7-3-5-8(12)6-4-7/h3-6,12H,2H2,1H3,(H2,10,11)
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2.50E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50058452
PNG
(1-(4-Chloro-phenyl)-2-methyl-isothiourea; hydriodi...)
Show SMILES CSC(N)=Nc1ccc(Cl)cc1 |w:4.4|
Show InChI InChI=1S/C8H9ClN2S/c1-12-8(10)11-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11)
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2.60E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human vascular endothelial nitric oxide synthase.


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50058447
PNG
(2-Ethyl-1-(4-methoxy-phenyl)-isothiourea; hydriodi...)
Show SMILES CCSC(N)=Nc1ccc(OC)cc1 |w:5.5|
Show InChI InChI=1S/C10H14N2OS/c1-3-14-10(11)12-8-4-6-9(13-2)7-5-8/h4-7H,3H2,1-2H3,(H2,11,12)
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2.70E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human vascular endothelial nitric oxide synthase.


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50058444
PNG
(2-Ethyl-1-(4-hydroxy-phenyl)-isothiourea; hydriodi...)
Show SMILES CCSC(N)=Nc1ccc(O)cc1 |w:5.5|
Show InChI InChI=1S/C9H12N2OS/c1-2-13-9(10)11-7-3-5-8(12)6-4-7/h3-6,12H,2H2,1H3,(H2,10,11)
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2.70E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human vascular endothelial nitric oxide synthase.


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50058468
PNG
(1-(4-Benzyloxy-phenyl)-2-ethyl-isothiourea; hydrio...)
Show SMILES CCSC(N)=Nc1ccc(OCc2ccccc2)cc1 |w:5.5|
Show InChI InChI=1S/C16H18N2OS/c1-2-20-16(17)18-14-8-10-15(11-9-14)19-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H2,17,18)
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2.80E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human vascular endothelial nitric oxide synthase.


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50058441
PNG
(1-(2-Chloro-phenyl)-2-ethyl-isothiourea; hydrochlo...)
Show SMILES CCSC(N)=Nc1ccccc1Cl |w:5.5|
Show InChI InChI=1S/C9H11ClN2S/c1-2-13-9(11)12-8-6-4-3-5-7(8)10/h3-6H,2H2,1H3,(H2,11,12)
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2.90E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50058445
PNG
(2-Ethyl-1-(4-phenoxy-phenyl)-isothiourea; hydriodi...)
Show SMILES CCSC(N)=Nc1ccc(Oc2ccccc2)cc1 |w:5.5|
Show InChI InChI=1S/C15H16N2OS/c1-2-19-15(16)17-12-8-10-14(11-9-12)18-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H2,16,17)
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3.10E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50058442
PNG
(2-Ethyl-1-(3-methoxy-phenyl)-isothiourea; hydriodi...)
Show SMILES CCSC(N)=Nc1cccc(OC)c1 |w:5.5|
Show InChI InChI=1S/C10H14N2OS/c1-3-14-10(11)12-8-5-4-6-9(7-8)13-2/h4-7H,3H2,1-2H3,(H2,11,12)
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3.10E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human vascular endothelial nitric oxide synthase.


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50058442
PNG
(2-Ethyl-1-(3-methoxy-phenyl)-isothiourea; hydriodi...)
Show SMILES CCSC(N)=Nc1cccc(OC)c1 |w:5.5|
Show InChI InChI=1S/C10H14N2OS/c1-3-14-10(11)12-8-5-4-6-9(7-8)13-2/h4-7H,3H2,1-2H3,(H2,11,12)
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3.20E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50058470
PNG
(2-Ethyl-1-(3-trifluoromethyl-phenyl)-isothiourea; ...)
Show SMILES CCSC(N)=Nc1cccc(c1)C(F)(F)F |w:5.5|
Show InChI InChI=1S/C10H11F3N2S/c1-2-16-9(14)15-8-5-3-4-7(6-8)10(11,12)13/h3-6H,2H2,1H3,(H2,14,15)
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3.20E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50058457
PNG
(2-Methyl-1-(4-nitro-phenyl)-isothiourea; hydriodid...)
Show SMILES CS\C([NH-])=[NH+]\c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C8H8N3O2S/c1-14-8(9)10-6-2-4-7(5-3-6)11(12)13/h2-5H,1H3,(H-,9,10)/q-1/p+1
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PC sid
UniChem
Article
PubMed
3.30E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50058445
PNG
(2-Ethyl-1-(4-phenoxy-phenyl)-isothiourea; hydriodi...)
Show SMILES CCSC(N)=Nc1ccc(Oc2ccccc2)cc1 |w:5.5|
Show InChI InChI=1S/C15H16N2OS/c1-2-19-15(16)17-12-8-10-14(11-9-12)18-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H2,16,17)
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human vascular endothelial nitric oxide synthase.


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50058469
PNG
(1-(4-Chloro-phenyl)-2-ethyl-isothiourea; hydrochlo...)
Show SMILES CCSC(N)=Nc1ccc(Cl)cc1 |w:5.5|
Show InChI InChI=1S/C9H11ClN2S/c1-2-13-9(11)12-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H2,11,12)
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MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.20E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50058461
PNG
(2-Methyl-1-(4-trifluoromethyl-phenyl)-isothiourea;...)
Show SMILES CSC(N)=Nc1ccc(cc1)C(F)(F)F |w:4.4|
Show InChI InChI=1S/C9H9F3N2S/c1-15-8(13)14-7-4-2-6(3-5-7)9(10,11)12/h2-5H,1H3,(H2,13,14)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.60E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).


J Med Chem 40: 1901-5 (1997)


Article DOI: 10.1021/jm960785c
BindingDB Entry DOI: 10.7270/Q2SJ1M94
More data for this
Ligand-Target Pair
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