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Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'acuña-castroviejo' and Initial = 'd'   
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))
BDBM50270528
PNG
(3-BROMO-7-NITROINDAZOLE | 3-bromo-7-nitro-1H-indaz...)
Show SMILES [O-][N+](=O)c1cccc2c(Br)n[nH]c12
Show InChI InChI=1S/C7H4BrN3O2/c8-7-4-2-1-3-5(11(12)13)6(4)9-10-7/h1-3H,(H,9,10)
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n/an/a 170n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of NOS1


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50270528
PNG
(3-BROMO-7-NITROINDAZOLE | 3-bromo-7-nitro-1H-indaz...)
Show SMILES [O-][N+](=O)c1cccc2c(Br)n[nH]c12
Show InChI InChI=1S/C7H4BrN3O2/c8-7-4-2-1-3-5(11(12)13)6(4)9-10-7/h1-3H,(H,9,10)
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n/an/a 290n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of NOS2


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50304142
PNG
(2,7-dinitro-2H-indazole | CHEMBL593105)
Show SMILES [O-][N+](=O)c1cccc2cn(nc12)[N+]([O-])=O
Show InChI InChI=1S/C7H4N4O4/c12-10(13)6-3-1-2-5-4-9(11(14)15)8-7(5)6/h1-4H
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n/an/a 620n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of NOS1


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50209245
PNG
(CHEMBL247378)
Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
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n/an/a 710n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of NOS1


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50209241
PNG
(4-bromo-1H-indazole | CHEMBL246393)
Show SMILES Brc1cccc2[nH]ncc12
Show InChI InChI=1S/C7H5BrN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,(H,9,10)
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n/an/a 2.40E+3n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of NOS1


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50304143
PNG
(4-nitro-1H-indazole | CHEMBL393456)
Show SMILES [O-][N+](=O)c1cccc2[nH]ncc12
Show InChI InChI=1S/C7H5N3O2/c11-10(12)7-3-1-2-6-5(7)4-8-9-6/h1-4H,(H,8,9)
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n/an/a 3.10E+3n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of NOS1


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50304142
PNG
(2,7-dinitro-2H-indazole | CHEMBL593105)
Show SMILES [O-][N+](=O)c1cccc2cn(nc12)[N+]([O-])=O
Show InChI InChI=1S/C7H4N4O4/c12-10(13)6-3-1-2-5-4-9(11(14)15)8-7(5)6/h1-4H
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n/an/a 3.20E+3n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of NOS2


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50209244
PNG
(7-chloro-1H-indazole | CHEMBL247367)
Show SMILES Clc1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5ClN2/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,(H,9,10)
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n/an/a 4.20E+3n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of NOS1


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50209237
PNG
(6-bromo-1H-indazole | CHEMBL247365)
Show SMILES Brc1ccc2cn[nH]c2c1
Show InChI InChI=1S/C7H5BrN2/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10)
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n/an/a 4.30E+3n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of NOS1


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50209245
PNG
(CHEMBL247378)
Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
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n/an/a 5.80E+3n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of NOS2


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50209239
PNG
(7-bromo-1H-indazole | CHEMBL439566)
Show SMILES Brc1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5BrN2/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,(H,9,10)
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n/an/a 1.40E+4n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of NOS1


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50209235
PNG
(4-iodo-1H-indazole | CHEMBL246534)
Show SMILES Ic1cccc2[nH]ncc12
Show InChI InChI=1S/C7H5IN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,(H,9,10)
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n/an/a 1.70E+4n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of NOS1


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50365106
PNG
(CHEMBL1951503)
Show SMILES COc1ccc(N)c(c1)C1=NN(C(=O)C2CCCCC2)C(C)(C)S1
Show InChI InChI=1S/C18H25N3O2S/c1-18(2)21(17(22)12-7-5-4-6-8-12)20-16(24-18)14-11-13(23-3)9-10-15(14)19/h9-12H,4-8,19H2,1-3H3
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n/an/a 2.19E+4n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of iNOS assessed as conversion of L-[3H]arginine to L-[3H]-citrulline after 30 mins by scintillation counting


Eur J Med Chem 50: 129-39 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.047
BindingDB Entry DOI: 10.7270/Q2V40VP2
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50209236
PNG
(6-Chloro-1H-indazole | CHEMBL392184)
Show SMILES Clc1ccc2cn[nH]c2c1
Show InChI InChI=1S/C7H5ClN2/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10)
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n/an/a 2.20E+4n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of NOS1


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50365104
PNG
(CHEMBL1951498)
Show SMILES CCCC(=O)N1N=C(SC1(C)C)c1cc(OC)ccc1N
Show InChI InChI=1S/C15H21N3O2S/c1-5-6-13(19)18-15(2,3)21-14(17-18)11-9-10(20-4)7-8-12(11)16/h7-9H,5-6,16H2,1-4H3
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n/an/a 2.96E+4n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of iNOS assessed as conversion of L-[3H]arginine to L-[3H]-citrulline after 30 mins by scintillation counting


Eur J Med Chem 50: 129-39 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.047
BindingDB Entry DOI: 10.7270/Q2V40VP2
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50284964
PNG
(6-NITROINDAZOLE | 6-Nitro-1H-indazole | CHEMBL5427...)
Show SMILES [O-][N+](=O)c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-2-1-5-4-8-9-7(5)3-6/h1-4H,(H,8,9)
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n/an/a 3.20E+4n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of NOS1


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50365107
PNG
(CHEMBL1951517)
Show SMILES CC1(C)SC(=NN1C(=O)C1CC1)c1ccccc1N
Show InChI InChI=1S/C14H17N3OS/c1-14(2)17(13(18)9-7-8-9)16-12(19-14)10-5-3-4-6-11(10)15/h3-6,9H,7-8,15H2,1-2H3
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n/an/a 3.40E+4n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of iNOS assessed as conversion of L-[3H]arginine to L-[3H]-citrulline after 30 mins by scintillation counting


Eur J Med Chem 50: 129-39 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.047
BindingDB Entry DOI: 10.7270/Q2V40VP2
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50209243
PNG
(5-iodo-1H-indazole | CHEMBL391348)
Show SMILES Ic1ccc2[nH]ncc2c1
Show InChI InChI=1S/C7H5IN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
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n/an/a 3.70E+4n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of NOS1


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50108560
PNG
(2-Acetylamino-4-(2-amino-5-methoxy-phenyl)-4-oxo-b...)
Show SMILES COc1ccc(N)c(c1)C(=O)CC(NC(C)=O)C(O)=O
Show InChI InChI=1S/C13H16N2O5/c1-7(16)15-11(13(18)19)6-12(17)9-5-8(20-2)3-4-10(9)14/h3-5,11H,6,14H2,1-2H3,(H,15,16)(H,18,19)
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n/an/a 4.10E+4n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
50% inhibitory concentration against Neuronal nitric oxide synthase (nNOS) activity


J Med Chem 45: 263-74 (2002)


Article DOI: 10.1021/jm010916w
BindingDB Entry DOI: 10.7270/Q2474966
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50365105
PNG
(CHEMBL1951500)
Show SMILES COc1ccc(N)c(c1)C1=NN(C(=O)C2CC2)C(C)(C)S1
Show InChI InChI=1S/C15H19N3O2S/c1-15(2)18(14(19)9-4-5-9)17-13(21-15)11-8-10(20-3)6-7-12(11)16/h6-9H,4-5,16H2,1-3H3
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n/an/a 4.10E+4n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of iNOS assessed as conversion of L-[3H]arginine to L-[3H]-citrulline after 30 mins by scintillation counting


Eur J Med Chem 50: 129-39 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.047
BindingDB Entry DOI: 10.7270/Q2V40VP2
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50209234
PNG
(4-chloro-1H-indazole | CHEMBL246533)
Show SMILES Clc1cccc2[nH]ncc12
Show InChI InChI=1S/C7H5ClN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,(H,9,10)
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n/an/a 4.40E+4n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of NOS1


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50304144
PNG
(5-NITROINDAZOLE | 5-Nitro-1H-indazole | CHEMBL1653...)
Show SMILES [O-][N+](=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-1-2-7-5(3-6)4-8-9-7/h1-4H,(H,8,9)
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n/an/a 4.70E+4n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of NOS1


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50209242
PNG
(5-chloro-1H-indazole | CHEMBL246746)
Show SMILES Clc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C7H5ClN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
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n/an/a 5.90E+4n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of NOS1


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50099398
PNG
(5-Bromo-1H-indazole | CHEMBL16425 | cid_761929)
Show SMILES Brc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C7H5BrN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
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n/an/a 7.20E+4n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of NOS1


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50304147
PNG
(3-chloro-1H-indazole | CHEMBL596385)
Show SMILES Clc1n[nH]c2ccccc12
Show InChI InChI=1S/C7H5ClN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)
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n/an/a 1.00E+5n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of recombinant NOS1 assessed as citrulline formation


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50271275
PNG
(1H-Indazol-7-amine | 1H-indazol-7-amine, 1 | CHEMB...)
Show SMILES Nc1cccc2cn[nH]c12
Show InChI InChI=1S/C7H7N3/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,8H2,(H,9,10)
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n/an/a 1.15E+5n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of recombinant NOS1 assessed as citrulline formation


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50304145
PNG
(3-chloro-6-nitro-1H-indazole | CHEMBL596229)
Show SMILES [O-][N+](=O)c1ccc2c(Cl)n[nH]c2c1
Show InChI InChI=1S/C7H4ClN3O2/c8-7-5-2-1-4(11(12)13)3-6(5)9-10-7/h1-3H,(H,9,10)
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n/an/a 1.58E+5n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of NOS1


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM24627
PNG
(1H-indazole | Indazole, 5 | Indazole, 6)
Show SMILES c1n[nH]c2ccccc12
Show InChI InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)
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n/an/a 1.78E+5n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of recombinant NOS1 assessed as citrulline formation


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50304150
PNG
(3-bromo-1,5-dinitro-1H-indazole | CHEMBL596341)
Show SMILES [O-][N+](=O)c1ccc2n(nc(Br)c2c1)[N+]([O-])=O
Show InChI InChI=1S/C7H3BrN4O4/c8-7-5-3-4(11(13)14)1-2-6(5)10(9-7)12(15)16/h1-3H
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n/an/a 2.75E+5n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of recombinant NOS1 assessed as citrulline formation


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50304146
PNG
(3-ethyl-1H-indazole | CHEMBL595903)
Show SMILES CCc1n[nH]c2ccccc12
Show InChI InChI=1S/C9H10N2/c1-2-8-7-5-3-4-6-9(7)11-10-8/h3-6H,2H2,1H3,(H,10,11)
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n/an/a 3.10E+5n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of recombinant NOS1 assessed as citrulline formation


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50304151
PNG
(4,5,6,7-tetrafluoro-3-perfluorophenyl-1H-indazole ...)
Show SMILES Fc1c(F)c(F)c(-c2n[nH]c3c(F)c(F)c(F)c(F)c23)c(F)c1F
Show InChI InChI=1S/C13HF9N2/c14-3-1(4(15)7(18)9(20)6(3)17)12-2-5(16)8(19)10(21)11(22)13(2)24-23-12/h(H,23,24)
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n/an/a 4.00E+5n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of NOS2


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50304149
PNG
(1H-indazol-6-amine | CHEMBL594707 | cid_81423)
Show SMILES Nc1ccc2cn[nH]c2c1
Show InChI InChI=1S/C7H7N3/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,8H2,(H,9,10)
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n/an/a>1.00E+6n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of recombinant NOS1 assessed as citrulline formation


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50304148
PNG
(1H-Indazol-5-ylamine | 1H-indazol-5-amine | CHEMBL...)
Show SMILES Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C7H7N3/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,8H2,(H,9,10)
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n/an/a>1.00E+6n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of recombinant NOS1 assessed as citrulline formation


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50008990
PNG
(1,2-Dihydro-indazol-3-one | 1H-indazol-3-ol | CHEM...)
Show SMILES O=c1[nH][nH]c2ccccc12
Show InChI InChI=1S/C7H6N2O/c10-7-5-3-1-2-4-6(5)8-9-7/h1-4H,(H2,8,9,10)
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n/an/a>1.00E+6n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of nNOS in LPS-stimulated Wistar rat striata assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by liquid scintillati...


Eur J Med Chem 46: 1439-47 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.027
BindingDB Entry DOI: 10.7270/Q2891659
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50008990
PNG
(1,2-Dihydro-indazol-3-one | 1H-indazol-3-ol | CHEM...)
Show SMILES O=c1[nH][nH]c2ccccc12
Show InChI InChI=1S/C7H6N2O/c10-7-5-3-1-2-4-6(5)8-9-7/h1-4H,(H2,8,9,10)
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n/an/a>1.00E+6n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of recombinant NOS1 assessed as citrulline formation


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50108561
PNG
(4-(2-Amino-5-methoxy-phenyl)-2-butyrylamino-4-oxo-...)
Show SMILES CCCC(=O)NC(CC(=O)c1cc(OC)ccc1N)C(O)=O
Show InChI InChI=1S/C15H20N2O5/c1-3-4-14(19)17-12(15(20)21)8-13(18)10-7-9(22-2)5-6-11(10)16/h5-7,12H,3-4,8,16H2,1-2H3,(H,17,19)(H,20,21)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
50% inhibitory concentration against Neuronal nitric oxide synthase (nNOS) activity


J Med Chem 45: 263-74 (2002)


Article DOI: 10.1021/jm010916w
BindingDB Entry DOI: 10.7270/Q2474966
More data for this
Ligand-Target Pair