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Compile Data Set for Download or QSAR

Found 9 hits with Last Name = 'tute' and Initial = 'ms'   
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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.190n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Alpha-1 adrenergic receptor by displacement of [3H]prazosin


J Med Chem 31: 1036-9 (1988)


BindingDB Entry DOI: 10.7270/Q2639RZK
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM96939
PNG
((4-amino-6,7-dimethoxy-quinazolin-2-yl)-dimethyl-a...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)C
Show InChI InChI=1S/C12H16N4O2/c1-16(2)12-14-8-6-10(18-4)9(17-3)5-7(8)11(13)15-12/h5-6H,1-4H3,(H2,13,14,15)
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4.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Alpha-1 adrenergic receptor by displacement of [3H]prazosin


J Med Chem 31: 1036-9 (1988)


BindingDB Entry DOI: 10.7270/Q2639RZK
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227377
PNG
(CHEMBL414822)
Show SMILES COc1cc2nc(cc(N)c2cc1OC)N(C)C
Show InChI InChI=1S/C13H17N3O2/c1-16(2)13-6-9(14)8-5-11(17-3)12(18-4)7-10(8)15-13/h5-7H,1-4H3,(H2,14,15)
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11n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Alpha-1 adrenergic receptor by displacement of [3H]prazosin


J Med Chem 31: 1036-9 (1988)


BindingDB Entry DOI: 10.7270/Q2639RZK
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227382
PNG
(CHEMBL8588)
Show SMILES COc1cc2cc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C20H22N4O4/c1-26-16-10-13-11-18(22-19(21)14(13)12-17(16)27-2)23-5-7-24(8-6-23)20(25)15-4-3-9-28-15/h3-4,9-12H,5-8H2,1-2H3,(H2,21,22)
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160n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Alpha-1 adrenergic receptor by displacement of [3H]prazosin


J Med Chem 31: 1036-9 (1988)


BindingDB Entry DOI: 10.7270/Q2639RZK
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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4.83E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2 adrenergic receptor by displacement of [3H]clonidine


J Med Chem 31: 1036-9 (1988)


BindingDB Entry DOI: 10.7270/Q2639RZK
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50287481
PNG
(3-[5-(4-Fluoro-benzenesulfonylamino)-3-imidazol-1-...)
Show SMILES Cc1c(Cn2ccnc2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2n1CCC(O)=O
Show InChI InChI=1S/C22H21FN4O4S/c1-15-20(13-26-11-9-24-14-26)19-12-17(4-7-21(19)27(15)10-8-22(28)29)25-32(30,31)18-5-2-16(23)3-6-18/h2-7,9,11-12,14,25H,8,10,13H2,1H3,(H,28,29)
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet microsomal TXA2 synthase


Bioorg Med Chem Lett 6: 1691-1696 (1996)


Article DOI: 10.1016/0960-894X(96)00299-5
BindingDB Entry DOI: 10.7270/Q27P8ZBS
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50000317
PNG
(3-(3-Imidazol-1-ylmethyl-2-methyl-indol-1-yl)-prop...)
Show SMILES Cc1c(Cn2ccnc2)c2ccccc2n1CCC(O)=O
Show InChI InChI=1S/C16H17N3O2/c1-12-14(10-18-9-7-17-11-18)13-4-2-3-5-15(13)19(12)8-6-16(20)21/h2-5,7,9,11H,6,8,10H2,1H3,(H,20,21)
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Article
n/an/a 28n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet microsomal TXA2 synthase


Bioorg Med Chem Lett 6: 1691-1696 (1996)


Article DOI: 10.1016/0960-894X(96)00299-5
BindingDB Entry DOI: 10.7270/Q27P8ZBS
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060378
PNG
(3-[5-(4-Fluoro-benzenesulfonylamino)-3-imidazol-1-...)
Show SMILES OC(=O)CCn1cc(Cn2ccnc2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C21H19FN4O4S/c22-16-1-4-18(5-2-16)31(29,30)24-17-3-6-20-19(11-17)15(12-25-10-8-23-14-25)13-26(20)9-7-21(27)28/h1-6,8,10-11,13-14,24H,7,9,12H2,(H,27,28)
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n/an/a 34n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet microsomal TXA2 synthase


Bioorg Med Chem Lett 6: 1691-1696 (1996)


Article DOI: 10.1016/0960-894X(96)00299-5
BindingDB Entry DOI: 10.7270/Q27P8ZBS
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50060380
PNG
(3-[5-(4-Fluoro-benzenesulfonylamino)-3-pyridin-3-y...)
Show SMILES OC(=O)CCn1cc(Cc2cccnc2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C23H20FN3O4S/c24-18-3-6-20(7-4-18)32(30,31)26-19-5-8-22-21(13-19)17(12-16-2-1-10-25-14-16)15-27(22)11-9-23(28)29/h1-8,10,13-15,26H,9,11-12H2,(H,28,29)
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Article
n/an/a 48n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet microsomal TXA2 synthase


Bioorg Med Chem Lett 6: 1691-1696 (1996)


Article DOI: 10.1016/0960-894X(96)00299-5
BindingDB Entry DOI: 10.7270/Q27P8ZBS
More data for this
Ligand-Target Pair