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Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'terauchi' and Initial = 'h'   
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, inducible


(Mus musculus (mouse))
BDBM50138191
PNG
((1S,5S,6R,7R)-7-Chloro-5-methyl-2-aza-bicyclo[4.1....)
Show SMILES C[C@H]1CC(N)=N[C@@H]2[C@H](Cl)[C@H]12 |c:4|
Show InChI InChI=1S/C7H11ClN2/c1-3-2-4(9)10-7-5(3)6(7)8/h3,5-7H,2H2,1H3,(H2,9,10)/t3-,5?,6+,7-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of inducible nitric oxide synthase (iNOS) in mice


Bioorg Med Chem Lett 14: 313-6 (2003)


BindingDB Entry DOI: 10.7270/Q2XP74C4
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50161394
PNG
((4R,5R)-5-Ethyl-4-methyl-selenazolidin-(2Z)-yliden...)
Show SMILES CC[C@H]1[Se]C(N)=N[C@@H]1C |c:5|
Show InChI InChI=1S/C6H12N2Se/c1-3-5-4(2)8-6(7)9-5/h4-5H,3H2,1-2H3,(H2,7,8)/t4-,5-/m1/s1
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n/an/a 9.30n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against inducible nitric acid synthase


Bioorg Med Chem Lett 15: 1361-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.013
BindingDB Entry DOI: 10.7270/Q2G160B2
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50161393
PNG
((4R,5R)-4-Ethyl-5-methyl-selenazolidin-(2Z)-yliden...)
Show SMILES CC[C@H]1N=C(N)[Se][C@@H]1C |t:3|
Show InChI InChI=1S/C6H12N2Se/c1-3-5-4(2)9-6(7)8-5/h4-5H,3H2,1-2H3,(H2,7,8)/t4-,5-/m1/s1
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n/an/a 9.40n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against inducible nitric acid synthase


Bioorg Med Chem Lett 15: 1361-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.013
BindingDB Entry DOI: 10.7270/Q2G160B2
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Mus musculus)
BDBM50138191
PNG
((1S,5S,6R,7R)-7-Chloro-5-methyl-2-aza-bicyclo[4.1....)
Show SMILES C[C@H]1CC(N)=N[C@@H]2[C@H](Cl)[C@H]12 |c:4|
Show InChI InChI=1S/C7H11ClN2/c1-3-2-4(9)10-7-5(3)6(7)8/h3,5-7H,2H2,1H3,(H2,9,10)/t3-,5?,6+,7-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of neuronal nitric oxide synthase (nNOS) in mice


Bioorg Med Chem Lett 14: 313-6 (2003)


BindingDB Entry DOI: 10.7270/Q2XP74C4
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50161388
PNG
((4S,5S)-4-Ethyl-5-methyl-selenazolidin-(2Z)-yliden...)
Show SMILES CC[C@@H]1N=C(N)[Se][C@H]1C |t:3|
Show InChI InChI=1S/C6H12N2Se/c1-3-5-4(2)9-6(7)8-5/h4-5H,3H2,1-2H3,(H2,7,8)/t4-,5-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against inducible nitric acid synthase


Bioorg Med Chem Lett 15: 1361-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.013
BindingDB Entry DOI: 10.7270/Q2G160B2
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50161389
PNG
((4R,5S)-4-Ethyl-5-methyl-selenazolidin-(2Z)-yliden...)
Show SMILES CC[C@H]1N=C(N)[Se][C@H]1C |t:3|
Show InChI InChI=1S/C6H12N2Se/c1-3-5-4(2)9-6(7)8-5/h4-5H,3H2,1-2H3,(H2,7,8)/t4-,5+/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against inducible nitric acid synthase


Bioorg Med Chem Lett 15: 1361-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.013
BindingDB Entry DOI: 10.7270/Q2G160B2
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50161392
PNG
((4S,5S)-5-Ethyl-4-methyl-selenazolidin-(2Z)-yliden...)
Show SMILES CC[C@@H]1[Se]C(N)=N[C@H]1C |c:5|
Show InChI InChI=1S/C6H12N2Se/c1-3-5-4(2)8-6(7)9-5/h4-5H,3H2,1-2H3,(H2,7,8)/t4-,5-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against inducible nitric acid synthase


Bioorg Med Chem Lett 15: 1361-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.013
BindingDB Entry DOI: 10.7270/Q2G160B2
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50138189
PNG
((4S,5R)-5-Methyl-4-propyl-oxazolidin-(2Z)-ylidenea...)
Show SMILES CCC[C@@H]1N=C(N)O[C@@H]1C |t:4|
Show InChI InChI=1S/C7H14N2O/c1-3-4-6-5(2)10-7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)/t5-,6+/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of inducible nitric oxide synthase (iNOS) in mice


Bioorg Med Chem Lett 14: 313-6 (2003)


BindingDB Entry DOI: 10.7270/Q2XP74C4
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50138195
PNG
((4S,5S)-4,5-Diethyl-oxazolidin-(2Z)-ylideneamine |...)
Show SMILES CC[C@@H]1OC(N)=N[C@H]1CC |c:5|
Show InChI InChI=1S/C7H14N2O/c1-3-5-6(4-2)10-7(8)9-5/h5-6H,3-4H2,1-2H3,(H2,8,9)/t5-,6-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of inducible nitric oxide synthase (iNOS) in mice


Bioorg Med Chem Lett 14: 313-6 (2003)


BindingDB Entry DOI: 10.7270/Q2XP74C4
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50161395
PNG
((4R,5S)-5-Ethyl-4-methyl-selenazolidin-(2Z)-yliden...)
Show SMILES CC[C@@H]1[Se]C(N)=N[C@@H]1C |c:5|
Show InChI InChI=1S/C6H12N2Se/c1-3-5-4(2)8-6(7)9-5/h4-5H,3H2,1-2H3,(H2,7,8)/t4-,5+/m1/s1
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n/an/a 66n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against inducible nitric acid synthase


Bioorg Med Chem Lett 15: 1361-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.013
BindingDB Entry DOI: 10.7270/Q2G160B2
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50138201
PNG
(5-Methyl-oxazolidin-(2Z)-ylideneamine | CHEMBL1074...)
Show SMILES CC1CN=C(N)O1 |t:3|
Show InChI InChI=1S/C4H8N2O/c1-3-2-6-4(5)7-3/h3H,2H2,1H3,(H2,5,6)
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n/an/a 74n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of inducible nitric oxide synthase (iNOS) in mice


Bioorg Med Chem Lett 14: 313-6 (2003)


BindingDB Entry DOI: 10.7270/Q2XP74C4
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50161390
PNG
((4S,5R)-4-Ethyl-5-methyl-selenazolidin-(2Z)-yliden...)
Show SMILES CC[C@@H]1N=C(N)[Se][C@@H]1C |t:3|
Show InChI InChI=1S/C6H12N2Se/c1-3-5-4(2)9-6(7)8-5/h4-5H,3H2,1-2H3,(H2,7,8)/t4-,5+/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against inducible nitric acid synthase


Bioorg Med Chem Lett 15: 1361-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.013
BindingDB Entry DOI: 10.7270/Q2G160B2
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50161393
PNG
((4R,5R)-4-Ethyl-5-methyl-selenazolidin-(2Z)-yliden...)
Show SMILES CC[C@H]1N=C(N)[Se][C@@H]1C |t:3|
Show InChI InChI=1S/C6H12N2Se/c1-3-5-4(2)9-6(7)8-5/h4-5H,3H2,1-2H3,(H2,7,8)/t4-,5-/m1/s1
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n/an/a 92n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against neuronal nitric acid synthase


Bioorg Med Chem Lett 15: 1361-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.013
BindingDB Entry DOI: 10.7270/Q2G160B2
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50138190
PNG
((4S,5S)-5-Methyl-4-propyl-oxazolidin-(2Z)-ylidenea...)
Show SMILES CCC[C@@H]1N=C(N)O[C@H]1C |t:4|
Show InChI InChI=1S/C7H14N2O/c1-3-4-6-5(2)10-7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)/t5-,6-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of inducible nitric oxide synthase (iNOS) in mice


Bioorg Med Chem Lett 14: 313-6 (2003)


BindingDB Entry DOI: 10.7270/Q2XP74C4
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50138192
PNG
((4S,5R)-4-Ethyl-5-methyl-oxazolidin-(2Z)-ylideneam...)
Show SMILES CC[C@@H]1N=C(N)O[C@@H]1C |t:3|
Show InChI InChI=1S/C6H12N2O/c1-3-5-4(2)9-6(7)8-5/h4-5H,3H2,1-2H3,(H2,7,8)/t4-,5+/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of inducible nitric oxide synthase (iNOS) in mice


Bioorg Med Chem Lett 14: 313-6 (2003)


BindingDB Entry DOI: 10.7270/Q2XP74C4
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50138194
PNG
((4S,5S)-5-Ethyl-4-methyl-oxazolidin-(2Z)-ylideneam...)
Show SMILES CC[C@@H]1OC(N)=N[C@H]1C |c:5|
Show InChI InChI=1S/C6H12N2O/c1-3-5-4(2)8-6(7)9-5/h4-5H,3H2,1-2H3,(H2,7,8)/t4-,5-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of inducible nitric oxide synthase (iNOS) in mice


Bioorg Med Chem Lett 14: 313-6 (2003)


BindingDB Entry DOI: 10.7270/Q2XP74C4
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50138198
PNG
((4S,5R)-4,5-Diethyl-oxazolidin-(2Z)-ylideneamine |...)
Show SMILES CC[C@H]1OC(N)=N[C@H]1CC |c:5|
Show InChI InChI=1S/C7H14N2O/c1-3-5-6(4-2)10-7(8)9-5/h5-6H,3-4H2,1-2H3,(H2,8,9)/t5-,6+/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of inducible nitric oxide synthase (iNOS) in mice


Bioorg Med Chem Lett 14: 313-6 (2003)


BindingDB Entry DOI: 10.7270/Q2XP74C4
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50138184
PNG
((4S,5R)-4,5-Dimethyl-oxazolidin-(2Z)-ylideneamine ...)
Show SMILES C[C@H]1OC(N)=N[C@H]1C |c:4|
Show InChI InChI=1S/C5H10N2O/c1-3-4(2)8-5(6)7-3/h3-4H,1-2H3,(H2,6,7)/t3-,4+/m0/s1
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Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of inducible nitric oxide synthase (iNOS) in mice


Bioorg Med Chem Lett 14: 313-6 (2003)


BindingDB Entry DOI: 10.7270/Q2XP74C4
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50138185
PNG
((4S,5R)-5-Ethyl-4-methyl-oxazolidin-(2Z)-ylideneam...)
Show SMILES CC[C@H]1OC(N)=N[C@H]1C |c:5|
Show InChI InChI=1S/C6H12N2O/c1-3-5-4(2)8-6(7)9-5/h4-5H,3H2,1-2H3,(H2,7,8)/t4-,5+/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of inducible nitric oxide synthase (iNOS) in mice


Bioorg Med Chem Lett 14: 313-6 (2003)


BindingDB Entry DOI: 10.7270/Q2XP74C4
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50138187
PNG
((4S,5S)-4-Ethyl-5-methyl-oxazolidin-(2Z)-ylideneam...)
Show SMILES CC[C@@H]1N=C(N)O[C@H]1C |t:3|
Show InChI InChI=1S/C6H12N2O/c1-3-5-4(2)9-6(7)8-5/h4-5H,3H2,1-2H3,(H2,7,8)/t4-,5-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of inducible nitric oxide synthase (iNOS) in mice


Bioorg Med Chem Lett 14: 313-6 (2003)


BindingDB Entry DOI: 10.7270/Q2XP74C4
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Sus scrofa (Pig))
BDBM50037078
PNG
(2-(Phenyl)-isothiazolo[5,4-b]pyridin-3(2H)-one | 2...)
Show SMILES O=c1n(sc2ncccc12)-c1ccccc1
Show InChI InChI=1S/C12H8N2OS/c15-12-10-7-4-8-13-11(10)16-14(12)9-5-2-1-3-6-9/h1-8H
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n/an/a 190n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcine gastric H+/K+ ATPase


J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Sus scrofa (Pig))
BDBM50056046
PNG
(2-Pyridin-4-yl-isothiazolo[5,4-b]pyridin-3-one | C...)
Show SMILES O=c1n(sc2ncccc12)-c1ccncc1
Show InChI InChI=1S/C11H7N3OS/c15-11-9-2-1-5-13-10(9)16-14(11)8-3-6-12-7-4-8/h1-7H
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n/an/a 220n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcine gastric H+/K+ ATPase


J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50138196
PNG
((4S,5R)-5-Methyl-4-pentyl-oxazolidin-(2Z)-ylidenea...)
Show SMILES CCCCC[C@@H]1N=C(N)O[C@@H]1C |t:6|
Show InChI InChI=1S/C9H18N2O/c1-3-4-5-6-8-7(2)12-9(10)11-8/h7-8H,3-6H2,1-2H3,(H2,10,11)/t7-,8+/m1/s1
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n/an/a 230n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of inducible nitric oxide synthase (iNOS) in mice


Bioorg Med Chem Lett 14: 313-6 (2003)


BindingDB Entry DOI: 10.7270/Q2XP74C4
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50138193
PNG
(5-Ethyl-oxazolidin-(2Z)-ylideneamine | CHEMBL10835...)
Show SMILES CCC1CN=C(N)O1 |t:4|
Show InChI InChI=1S/C5H10N2O/c1-2-4-3-7-5(6)8-4/h4H,2-3H2,1H3,(H2,6,7)
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n/an/a 280n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of inducible nitric oxide synthase (iNOS) in mice


Bioorg Med Chem Lett 14: 313-6 (2003)


BindingDB Entry DOI: 10.7270/Q2XP74C4
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50161389
PNG
((4R,5S)-4-Ethyl-5-methyl-selenazolidin-(2Z)-yliden...)
Show SMILES CC[C@H]1N=C(N)[Se][C@H]1C |t:3|
Show InChI InChI=1S/C6H12N2Se/c1-3-5-4(2)9-6(7)8-5/h4-5H,3H2,1-2H3,(H2,7,8)/t4-,5+/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against neuronal nitric acid synthase


Bioorg Med Chem Lett 15: 1361-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.013
BindingDB Entry DOI: 10.7270/Q2G160B2
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50161388
PNG
((4S,5S)-4-Ethyl-5-methyl-selenazolidin-(2Z)-yliden...)
Show SMILES CC[C@@H]1N=C(N)[Se][C@H]1C |t:3|
Show InChI InChI=1S/C6H12N2Se/c1-3-5-4(2)9-6(7)8-5/h4-5H,3H2,1-2H3,(H2,7,8)/t4-,5-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against neuronal nitric acid synthase


Bioorg Med Chem Lett 15: 1361-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.013
BindingDB Entry DOI: 10.7270/Q2G160B2
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50161391
PNG
((4S,5R)-5-Ethyl-4-methyl-selenazolidin-(2Z)-yliden...)
Show SMILES CC[C@H]1[Se]C(N)=N[C@H]1C |c:5|
Show InChI InChI=1S/C6H12N2Se/c1-3-5-4(2)8-6(7)9-5/h4-5H,3H2,1-2H3,(H2,7,8)/t4-,5+/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against inducible nitric acid synthase


Bioorg Med Chem Lett 15: 1361-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.013
BindingDB Entry DOI: 10.7270/Q2G160B2
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50161392
PNG
((4S,5S)-5-Ethyl-4-methyl-selenazolidin-(2Z)-yliden...)
Show SMILES CC[C@@H]1[Se]C(N)=N[C@H]1C |c:5|
Show InChI InChI=1S/C6H12N2Se/c1-3-5-4(2)8-6(7)9-5/h4-5H,3H2,1-2H3,(H2,7,8)/t4-,5-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against neuronal nitric acid synthase


Bioorg Med Chem Lett 15: 1361-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.013
BindingDB Entry DOI: 10.7270/Q2G160B2
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))
BDBM50241343
PNG
((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Show SMILES COc1ccc2nc([nH]c2c1)S(=O)Cc1ncc(C)c(OC)c1C
Show InChI InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
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n/an/a 370n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells


J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))
BDBM50056043
PNG
(2-(2,4-Diethoxy-phenylmethanesulfinyl)-N-pyridin-4...)
Show SMILES CCOc1ccc(CS(=O)c2ncccc2C(=O)Nc2ccncc2)c(OCC)c1
Show InChI InChI=1S/C22H23N3O4S/c1-3-28-18-8-7-16(20(14-18)29-4-2)15-30(27)22-19(6-5-11-24-22)21(26)25-17-9-12-23-13-10-17/h5-14H,3-4,15H2,1-2H3,(H,23,25,26)
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n/an/a 400n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells


J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Mus musculus)
BDBM50138186
PNG
(5-Bromomethyl-oxazolidin-(2Z)-ylideneamine | CHEMB...)
Show SMILES NC1=NCC(CBr)O1 |t:1|
Show InChI InChI=1S/C4H7BrN2O/c5-1-3-2-7-4(6)8-3/h3H,1-2H2,(H2,6,7)
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n/an/a 400n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of neuronal nitric oxide synthase (nNOS) in mice


Bioorg Med Chem Lett 14: 313-6 (2003)


BindingDB Entry DOI: 10.7270/Q2XP74C4
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
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n/an/a 408n/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Iinhibitory activity against Escherichia coli DNA gyrase


J Med Chem 47: 3693-6 (2004)


Article DOI: 10.1021/jm030394f
BindingDB Entry DOI: 10.7270/Q2CN76N7
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))
BDBM50056045
PNG
(2-(2-Ethoxy-4-methoxy-phenylmethanesulfinyl)-N-pyr...)
Show SMILES CCOc1cc(OC)ccc1CS(=O)c1ncccc1C(=O)Nc1ccncc1
Show InChI InChI=1S/C21H21N3O4S/c1-3-28-19-13-17(27-2)7-6-15(19)14-29(26)21-18(5-4-10-23-21)20(25)24-16-8-11-22-12-9-16/h4-13H,3,14H2,1-2H3,(H,22,24,25)
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n/an/a 450n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells


J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))
BDBM50056041
PNG
(2-(2,4-Dimethoxy-6-methyl-phenylmethanesulfinyl)-N...)
Show SMILES COc1cc(C)c(CS(=O)c2ncccc2C(=O)Nc2ccncc2)c(OC)c1
Show InChI InChI=1S/C21H21N3O4S/c1-14-11-16(27-2)12-19(28-3)18(14)13-29(26)21-17(5-4-8-23-21)20(25)24-15-6-9-22-10-7-15/h4-12H,13H2,1-3H3,(H,22,24,25)
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n/an/a 460n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells


J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50138186
PNG
(5-Bromomethyl-oxazolidin-(2Z)-ylideneamine | CHEMB...)
Show SMILES NC1=NCC(CBr)O1 |t:1|
Show InChI InChI=1S/C4H7BrN2O/c5-1-3-2-7-4(6)8-3/h3H,1-2H2,(H2,6,7)
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n/an/a 500n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of inducible nitric oxide synthase (iNOS) in mice


Bioorg Med Chem Lett 14: 313-6 (2003)


BindingDB Entry DOI: 10.7270/Q2XP74C4
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Mus musculus)
BDBM50225106
PNG
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)
Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8|
Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of neuronal nitric oxide synthase (nNOS) in mice


Bioorg Med Chem Lett 14: 313-6 (2003)


BindingDB Entry DOI: 10.7270/Q2XP74C4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50138200
PNG
((4S,5S)-5-Methyl-4-pentyl-oxazolidin-(2Z)-ylidenea...)
Show SMILES CCCCC[C@@H]1N=C(N)O[C@H]1C |t:6|
Show InChI InChI=1S/C9H18N2O/c1-3-4-5-6-8-7(2)12-9(10)11-8/h7-8H,3-6H2,1-2H3,(H2,10,11)/t7-,8-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of inducible nitric oxide synthase (iNOS) in mice


Bioorg Med Chem Lett 14: 313-6 (2003)


BindingDB Entry DOI: 10.7270/Q2XP74C4
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Sus scrofa (Pig))
BDBM50056049
PNG
(2-Isobutyl-isothiazolo[5,4-b]pyridin-3-one | CHEMB...)
Show SMILES CC(C)Cn1sc2ncccc2c1=O
Show InChI InChI=1S/C10H12N2OS/c1-7(2)6-12-10(13)8-4-3-5-11-9(8)14-12/h3-5,7H,6H2,1-2H3
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n/an/a 530n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcine gastric H+/K+ ATPase


J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Mus musculus)
BDBM50138190
PNG
((4S,5S)-5-Methyl-4-propyl-oxazolidin-(2Z)-ylidenea...)
Show SMILES CCC[C@@H]1N=C(N)O[C@H]1C |t:4|
Show InChI InChI=1S/C7H14N2O/c1-3-4-6-5(2)10-7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)/t5-,6-/m0/s1
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n/an/a 570n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of neuronal nitric oxide synthase (nNOS) in mice


Bioorg Med Chem Lett 14: 313-6 (2003)


BindingDB Entry DOI: 10.7270/Q2XP74C4
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))
BDBM50056056
PNG
(2-(2,4-Dimethoxy-phenylmethanesulfinyl)-N-pyridin-...)
Show SMILES COc1ccc(CS(=O)c2ncccc2C(=O)Nc2ccncc2)c(OC)c1
Show InChI InChI=1S/C20H19N3O4S/c1-26-16-6-5-14(18(12-16)27-2)13-28(25)20-17(4-3-9-22-20)19(24)23-15-7-10-21-11-8-15/h3-12H,13H2,1-2H3,(H,21,23,24)
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n/an/a 590n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells


J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50366822
PNG
(AT-4140 | CI-978 | SPARFLOXACIN | Spara)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 |r|
Show InChI InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+
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n/an/a 637n/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Iinhibitory activity against Escherichia coli DNA gyrase


J Med Chem 47: 3693-6 (2004)


Article DOI: 10.1021/jm030394f
BindingDB Entry DOI: 10.7270/Q2CN76N7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Mus musculus)
BDBM50138192
PNG
((4S,5R)-4-Ethyl-5-methyl-oxazolidin-(2Z)-ylideneam...)
Show SMILES CC[C@@H]1N=C(N)O[C@@H]1C |t:3|
Show InChI InChI=1S/C6H12N2O/c1-3-5-4(2)9-6(7)8-5/h4-5H,3H2,1-2H3,(H2,7,8)/t4-,5+/m1/s1
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n/an/a 680n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of neuronal nitric oxide synthase (nNOS) in mice


Bioorg Med Chem Lett 14: 313-6 (2003)


BindingDB Entry DOI: 10.7270/Q2XP74C4
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50161390
PNG
((4S,5R)-4-Ethyl-5-methyl-selenazolidin-(2Z)-yliden...)
Show SMILES CC[C@@H]1N=C(N)[Se][C@@H]1C |t:3|
Show InChI InChI=1S/C6H12N2Se/c1-3-5-4(2)9-6(7)8-5/h4-5H,3H2,1-2H3,(H2,7,8)/t4-,5+/m1/s1
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Article
PubMed
n/an/a 740n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against neuronal nitric acid synthase


Bioorg Med Chem Lett 15: 1361-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.013
BindingDB Entry DOI: 10.7270/Q2G160B2
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Mus musculus)
BDBM50138200
PNG
((4S,5S)-5-Methyl-4-pentyl-oxazolidin-(2Z)-ylidenea...)
Show SMILES CCCCC[C@@H]1N=C(N)O[C@H]1C |t:6|
Show InChI InChI=1S/C9H18N2O/c1-3-4-5-6-8-7(2)12-9(10)11-8/h7-8H,3-6H2,1-2H3,(H2,10,11)/t7-,8-/m0/s1
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n/an/a 790n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of neuronal nitric oxide synthase (nNOS) in mice


Bioorg Med Chem Lett 14: 313-6 (2003)


BindingDB Entry DOI: 10.7270/Q2XP74C4
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50161394
PNG
((4R,5R)-5-Ethyl-4-methyl-selenazolidin-(2Z)-yliden...)
Show SMILES CC[C@H]1[Se]C(N)=N[C@@H]1C |c:5|
Show InChI InChI=1S/C6H12N2Se/c1-3-5-4(2)8-6(7)9-5/h4-5H,3H2,1-2H3,(H2,7,8)/t4-,5-/m1/s1
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n/an/a 790n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against neuronal nitric acid synthase


Bioorg Med Chem Lett 15: 1361-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.013
BindingDB Entry DOI: 10.7270/Q2G160B2
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Mus musculus)
BDBM50138185
PNG
((4S,5R)-5-Ethyl-4-methyl-oxazolidin-(2Z)-ylideneam...)
Show SMILES CC[C@H]1OC(N)=N[C@H]1C |c:5|
Show InChI InChI=1S/C6H12N2O/c1-3-5-4(2)8-6(7)9-5/h4-5H,3H2,1-2H3,(H2,7,8)/t4-,5+/m0/s1
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n/an/a 850n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of neuronal nitric oxide synthase (nNOS) in mice


Bioorg Med Chem Lett 14: 313-6 (2003)


BindingDB Entry DOI: 10.7270/Q2XP74C4
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Mus musculus)
BDBM50138189
PNG
((4S,5R)-5-Methyl-4-propyl-oxazolidin-(2Z)-ylidenea...)
Show SMILES CCC[C@@H]1N=C(N)O[C@@H]1C |t:4|
Show InChI InChI=1S/C7H14N2O/c1-3-4-6-5(2)10-7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)/t5-,6+/m1/s1
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n/an/a 920n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of neuronal nitric oxide synthase (nNOS) in mice


Bioorg Med Chem Lett 14: 313-6 (2003)


BindingDB Entry DOI: 10.7270/Q2XP74C4
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))
BDBM50056042
PNG
(CHEMBL108285 | N-Pyridin-4-yl-2-(2,4,6-trimethoxy-...)
Show SMILES COc1cc(OC)c(CS(=O)c2ncccc2C(=O)Nc2ccncc2)c(OC)c1
Show InChI InChI=1S/C21H21N3O5S/c1-27-15-11-18(28-2)17(19(12-15)29-3)13-30(26)21-16(5-4-8-23-21)20(25)24-14-6-9-22-10-7-14/h4-12H,13H2,1-3H3,(H,22,24,25)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells


J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Mus musculus)
BDBM50138198
PNG
((4S,5R)-4,5-Diethyl-oxazolidin-(2Z)-ylideneamine |...)
Show SMILES CC[C@H]1OC(N)=N[C@H]1CC |c:5|
Show InChI InChI=1S/C7H14N2O/c1-3-5-6(4-2)10-7(8)9-5/h5-6H,3-4H2,1-2H3,(H2,8,9)/t5-,6+/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of neuronal nitric oxide synthase (nNOS) in mice


Bioorg Med Chem Lett 14: 313-6 (2003)


BindingDB Entry DOI: 10.7270/Q2XP74C4
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50161395
PNG
((4R,5S)-5-Ethyl-4-methyl-selenazolidin-(2Z)-yliden...)
Show SMILES CC[C@@H]1[Se]C(N)=N[C@@H]1C |c:5|
Show InChI InChI=1S/C6H12N2Se/c1-3-5-4(2)8-6(7)9-5/h4-5H,3H2,1-2H3,(H2,7,8)/t4-,5+/m1/s1
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Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against neuronal nitric acid synthase


Bioorg Med Chem Lett 15: 1361-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.013
BindingDB Entry DOI: 10.7270/Q2G160B2
More data for this
Ligand-Target Pair
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