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Compile Data Set for Download or QSAR

Found 27 hits with Last Name = 'miyazawa' 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
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50018179
PNG
(2-Imidazol-1-ylmethyl-4,5-dihydro-benzo[b]thiophen...)
Show SMILES OC(=O)C1=Cc2sc(Cn3ccnc3)cc2CC1 |t:3|
Show InChI InChI=1S/C13H12N2O2S/c16-13(17)10-2-1-9-5-11(18-12(9)6-10)7-15-4-3-14-8-15/h3-6,8H,1-2,7H2,(H,16,17)
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n/an/a 6n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of platelet microsomal thromboxane A synthetase in rabbits


J Med Chem 32: 1265-72 (1989)


BindingDB Entry DOI: 10.7270/Q2FF3RBV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50018179
PNG
(2-Imidazol-1-ylmethyl-4,5-dihydro-benzo[b]thiophen...)
Show SMILES OC(=O)C1=Cc2sc(Cn3ccnc3)cc2CC1 |t:3|
Show InChI InChI=1S/C13H12N2O2S/c16-13(17)10-2-1-9-5-11(18-12(9)6-10)7-15-4-3-14-8-15/h3-6,8H,1-2,7H2,(H,16,17)
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Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of platelet microsomal thromboxane A2 synthetase in rabbits


J Med Chem 32: 1265-72 (1989)


BindingDB Entry DOI: 10.7270/Q2FF3RBV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50018179
PNG
(2-Imidazol-1-ylmethyl-4,5-dihydro-benzo[b]thiophen...)
Show SMILES OC(=O)C1=Cc2sc(Cn3ccnc3)cc2CC1 |t:3|
Show InChI InChI=1S/C13H12N2O2S/c16-13(17)10-2-1-9-5-11(18-12(9)6-10)7-15-4-3-14-8-15/h3-6,8H,1-2,7H2,(H,16,17)
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n/an/a 13n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thromboxane A2 synthetase


J Med Chem 32: 1265-72 (1989)


BindingDB Entry DOI: 10.7270/Q2FF3RBV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50018181
PNG
(2-Imidazol-1-ylmethyl-4,5,6,7-tetrahydro-benzo[b]t...)
Show SMILES OC(=O)C1CCc2cc(Cn3ccnc3)sc2C1
Show InChI InChI=1S/C13H14N2O2S/c16-13(17)10-2-1-9-5-11(18-12(9)6-10)7-15-4-3-14-8-15/h3-5,8,10H,1-2,6-7H2,(H,16,17)
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n/an/a 20n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of platelet microsomal thromboxane A synthetase in humans


J Med Chem 32: 1265-72 (1989)


BindingDB Entry DOI: 10.7270/Q2FF3RBV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50018181
PNG
(2-Imidazol-1-ylmethyl-4,5,6,7-tetrahydro-benzo[b]t...)
Show SMILES OC(=O)C1CCc2cc(Cn3ccnc3)sc2C1
Show InChI InChI=1S/C13H14N2O2S/c16-13(17)10-2-1-9-5-11(18-12(9)6-10)7-15-4-3-14-8-15/h3-5,8,10H,1-2,6-7H2,(H,16,17)
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n/an/a 26n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of platelet microsomal thromboxane A synthetase in humans


J Med Chem 32: 1265-72 (1989)


BindingDB Entry DOI: 10.7270/Q2FF3RBV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50018181
PNG
(2-Imidazol-1-ylmethyl-4,5,6,7-tetrahydro-benzo[b]t...)
Show SMILES OC(=O)C1CCc2cc(Cn3ccnc3)sc2C1
Show InChI InChI=1S/C13H14N2O2S/c16-13(17)10-2-1-9-5-11(18-12(9)6-10)7-15-4-3-14-8-15/h3-5,8,10H,1-2,6-7H2,(H,16,17)
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n/an/a 26n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thromboxane A2 synthetase


J Med Chem 32: 1265-72 (1989)


BindingDB Entry DOI: 10.7270/Q2FF3RBV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50018183
PNG
(2-Imidazol-1-ylmethyl-4,5,6,7-tetrahydro-benzo[b]t...)
Show SMILES OC(=O)C1CCc2sc(Cn3ccnc3)cc2C1
Show InChI InChI=1S/C13H14N2O2S/c16-13(17)9-1-2-12-10(5-9)6-11(18-12)7-15-4-3-14-8-15/h3-4,6,8-9H,1-2,5,7H2,(H,16,17)
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n/an/a 86n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thromboxane A2 synthetase


J Med Chem 32: 1265-72 (1989)


BindingDB Entry DOI: 10.7270/Q2FF3RBV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50018186
PNG
(2-Imidazol-1-ylmethyl-6,7-dihydro-benzo[b]thiophen...)
Show SMILES OC(=O)C1=Cc2cc(Cn3ccnc3)sc2CC1 |t:3|
Show InChI InChI=1S/C13H12N2O2S/c16-13(17)9-1-2-12-10(5-9)6-11(18-12)7-15-4-3-14-8-15/h3-6,8H,1-2,7H2,(H,16,17)
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n/an/a 93n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thromboxane A2 synthetase


J Med Chem 32: 1265-72 (1989)


BindingDB Entry DOI: 10.7270/Q2FF3RBV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50018178
PNG
(2-(2-Imidazol-1-yl-ethyl)-6,7-dihydro-benzo[b]thio...)
Show SMILES OC(=O)C1=Cc2cc(CCn3ccnc3)sc2CC1 |t:3|
Show InChI InChI=1S/C14H14N2O2S/c17-14(18)10-1-2-13-11(7-10)8-12(19-13)3-5-16-6-4-15-9-16/h4,6-9H,1-3,5H2,(H,17,18)
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n/an/a 100n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thromboxane A2 synthetase


J Med Chem 32: 1265-72 (1989)


BindingDB Entry DOI: 10.7270/Q2FF3RBV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM7962
PNG
(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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n/an/a 106n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thromboxane A2 synthetase


J Med Chem 32: 1265-72 (1989)


BindingDB Entry DOI: 10.7270/Q2FF3RBV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM7962
PNG
(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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n/an/a 106n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of platelet microsomal thromboxane A2 synthetase in rabbits


J Med Chem 32: 1265-72 (1989)


BindingDB Entry DOI: 10.7270/Q2FF3RBV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50018184
PNG
(5-Imidazol-1-ylmethyl-4,5,6,7-tetrahydro-benzo[b]t...)
Show SMILES OC(=O)c1cc2CC(Cn3ccnc3)CCc2s1
Show InChI InChI=1S/C13H14N2O2S/c16-13(17)12-6-10-5-9(1-2-11(10)18-12)7-15-4-3-14-8-15/h3-4,6,8-9H,1-2,5,7H2,(H,16,17)
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n/an/a 114n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thromboxane A2 synthetase


J Med Chem 32: 1265-72 (1989)


BindingDB Entry DOI: 10.7270/Q2FF3RBV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50018176
PNG
(2-(Imidazol-1-yl-phenyl-methyl)-6,7-dihydro-benzo[...)
Show SMILES OC(=O)C1=Cc2cc(sc2CC1)C(c1ccccc1)n1ccnc1 |t:3|
Show InChI InChI=1S/C19H16N2O2S/c22-19(23)14-6-7-16-15(10-14)11-17(24-16)18(21-9-8-20-12-21)13-4-2-1-3-5-13/h1-5,8-12,18H,6-7H2,(H,22,23)
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n/an/a 114n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thromboxane A2 synthetase


J Med Chem 32: 1265-72 (1989)


BindingDB Entry DOI: 10.7270/Q2FF3RBV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM7962
PNG
(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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n/an/a 620n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of platelet microsomal thromboxane A synthetase in humans


J Med Chem 32: 1265-72 (1989)


BindingDB Entry DOI: 10.7270/Q2FF3RBV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50018180
PNG
(2-(2-Imidazol-1-yl-ethyl)-4,5,6,7-tetrahydro-benzo...)
Show SMILES OC(=O)C1CCc2sc(CCn3ccnc3)cc2C1
Show InChI InChI=1S/C14H16N2O2S/c17-14(18)10-1-2-13-11(7-10)8-12(19-13)3-5-16-6-4-15-9-16/h4,6,8-10H,1-3,5,7H2,(H,17,18)
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n/an/a 1.02E+3n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thromboxane A2 synthetase


J Med Chem 32: 1265-72 (1989)


BindingDB Entry DOI: 10.7270/Q2FF3RBV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50018177
PNG
(2-(2-Imidazol-1-yl-ethyl)-4,5,6,7-tetrahydro-benzo...)
Show SMILES OC(=O)C1CCc2cc(CCn3ccnc3)sc2C1
Show InChI InChI=1S/C14H16N2O2S/c17-14(18)11-2-1-10-7-12(19-13(10)8-11)3-5-16-6-4-15-9-16/h4,6-7,9,11H,1-3,5,8H2,(H,17,18)
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n/an/a 1.85E+3n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thromboxane A2 synthetase


J Med Chem 32: 1265-72 (1989)


BindingDB Entry DOI: 10.7270/Q2FF3RBV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50018185
PNG
(6-Imidazol-1-ylmethyl-4,5,6,7-tetrahydro-benzo[b]t...)
Show SMILES OC(=O)c1cc2CCC(Cn3ccnc3)Cc2s1
Show InChI InChI=1S/C13H14N2O2S/c16-13(17)12-6-10-2-1-9(5-11(10)18-12)7-15-4-3-14-8-15/h3-4,6,8-9H,1-2,5,7H2,(H,16,17)
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n/an/a 2.68E+3n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thromboxane A2 synthetase


J Med Chem 32: 1265-72 (1989)


BindingDB Entry DOI: 10.7270/Q2FF3RBV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50018182
PNG
(2-(2-Imidazol-1-yl-ethyl)-4,5-dihydro-benzo[b]thio...)
Show SMILES OC(=O)C1=Cc2sc(CCn3ccnc3)cc2CC1 |t:3|
Show InChI InChI=1S/C14H14N2O2S/c17-14(18)11-2-1-10-7-12(19-13(10)8-11)3-5-16-6-4-15-9-16/h4,6-9H,1-3,5H2,(H,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thromboxane A2 synthetase


J Med Chem 32: 1265-72 (1989)


BindingDB Entry DOI: 10.7270/Q2FF3RBV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50018187
PNG
(2-(1-Imidazol-1-yl-2,2-dimethyl-propyl)-6,7-dihydr...)
Show SMILES CC(C)(C)C(c1cc2C=C(CCc2s1)C(O)=O)n1ccnc1 |c:8|
Show InChI InChI=1S/C17H20N2O2S/c1-17(2,3)15(19-7-6-18-10-19)14-9-12-8-11(16(20)21)4-5-13(12)22-14/h6-10,15H,4-5H2,1-3H3,(H,20,21)
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Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thromboxane A2 synthetase


J Med Chem 32: 1265-72 (1989)


BindingDB Entry DOI: 10.7270/Q2FF3RBV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50018188
PNG
(2-(Cyclohexyl-imidazol-1-yl-methyl)-6,7-dihydro-be...)
Show SMILES OC(=O)C1=Cc2cc(sc2CC1)C(C1CCCCC1)n1ccnc1 |t:3|
Show InChI InChI=1S/C19H22N2O2S/c22-19(23)14-6-7-16-15(10-14)11-17(24-16)18(21-9-8-20-12-21)13-4-2-1-3-5-13/h8-13,18H,1-7H2,(H,22,23)
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Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thromboxane A2 synthetase


J Med Chem 32: 1265-72 (1989)


BindingDB Entry DOI: 10.7270/Q2FF3RBV
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50300847
PNG
(4,6-dichloro-N-m-tolyl-1,3,5-triazin-2-amine | CHE...)
Show SMILES Cc1cccc(Nc2nc(Cl)nc(Cl)n2)c1
Show InChI InChI=1S/C10H8Cl2N4/c1-6-3-2-4-7(5-6)13-10-15-8(11)14-9(12)16-10/h2-5H,1H3,(H,13,14,15,16)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human NFkappaB p50 subunit DNA binding activity assessed as shortened diffusion time by fluorescence correlation spectroscopy


Bioorg Med Chem 17: 5293-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.030
BindingDB Entry DOI: 10.7270/Q2222TVT
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50300846
PNG
(4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine | CHEM...)
Show SMILES Clc1nc(Cl)nc(Nc2ccccc2)n1
Show InChI InChI=1S/C9H6Cl2N4/c10-7-13-8(11)15-9(14-7)12-6-4-2-1-3-5-6/h1-5H,(H,12,13,14,15)
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n/an/a 2.86E+4n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human NFkappaB p50 subunit DNA binding activity assessed as shortened diffusion time by fluorescence correlation spectroscopy


Bioorg Med Chem 17: 5293-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.030
BindingDB Entry DOI: 10.7270/Q2222TVT
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50300851
PNG
(4,6-dichloro-N-(4-ethoxyphenyl)-1,3,5-triazin-2-am...)
Show SMILES CCOc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
Show InChI InChI=1S/C11H10Cl2N4O/c1-2-18-8-5-3-7(4-6-8)14-11-16-9(12)15-10(13)17-11/h3-6H,2H2,1H3,(H,14,15,16,17)
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n/an/a 3.52E+4n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human NFkappaB p50 subunit DNA binding activity assessed as shortened diffusion time by fluorescence correlation spectroscopy


Bioorg Med Chem 17: 5293-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.030
BindingDB Entry DOI: 10.7270/Q2222TVT
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50300852
PNG
(4,6-dichloro-N-(4-isopropylphenyl)-1,3,5-triazin-2...)
Show SMILES CC(C)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
Show InChI InChI=1S/C12H12Cl2N4/c1-7(2)8-3-5-9(6-4-8)15-12-17-10(13)16-11(14)18-12/h3-7H,1-2H3,(H,15,16,17,18)
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n/an/a 7.44E+4n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human NFkappaB p50 subunit DNA binding activity assessed as shortened diffusion time by fluorescence correlation spectroscopy


Bioorg Med Chem 17: 5293-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.030
BindingDB Entry DOI: 10.7270/Q2222TVT
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50300850
PNG
(4,6-dichloro-N-(4-chlorophenyl)-1,3,5-triazin-2-am...)
Show SMILES Clc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
Show InChI InChI=1S/C9H5Cl3N4/c10-5-1-3-6(4-2-5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)
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PubMed
n/an/a 1.10E+5n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human NFkappaB p50 subunit DNA binding activity assessed as shortened diffusion time by fluorescence correlation spectroscopy


Bioorg Med Chem 17: 5293-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.030
BindingDB Entry DOI: 10.7270/Q2222TVT
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50300848
PNG
(4,6-dichloro-N-(3-nitrophenyl)-1,3,5-triazin-2-ami...)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(Cl)nc(Cl)n2)c1
Show InChI InChI=1S/C9H5Cl2N5O2/c10-7-13-8(11)15-9(14-7)12-5-2-1-3-6(4-5)16(17)18/h1-4H,(H,12,13,14,15)
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n/an/a 1.19E+5n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human NFkappaB p50 subunit DNA binding activity assessed as shortened diffusion time by fluorescence correlation spectroscopy


Bioorg Med Chem 17: 5293-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.030
BindingDB Entry DOI: 10.7270/Q2222TVT
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50300849
PNG
(4,6-dichloro-N-(4-nitrophenyl)-1,3,5-triazin-2-ami...)
Show SMILES [O-][N+](=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
Show InChI InChI=1S/C9H5Cl2N5O2/c10-7-13-8(11)15-9(14-7)12-5-1-3-6(4-2-5)16(17)18/h1-4H,(H,12,13,14,15)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human NFkappaB p50 subunit DNA binding activity assessed as shortened diffusion time by fluorescence correlation spectroscopy


Bioorg Med Chem 17: 5293-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.030
BindingDB Entry DOI: 10.7270/Q2222TVT
More data for this
Ligand-Target Pair