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Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'romstedt' and Initial = 'kj'   
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
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM82482
PNG
(TMQ, S-(+)-8-Fluoro)
Show SMILES COc1cc(C[C@@H]2NCCc3cc(O)c(O)c(F)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H22FNO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3/t12-/m0/s1
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45n/an/an/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity against Beta-2 adrenergic receptor in guinea pig lung membranes


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
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49n/an/an/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity against Beta-2 adrenergic receptor in guinea pig lung membranes


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM82493
PNG
(CAS_128658 | NSC_128658 | TMQ, (+/-)-8-Fluoro)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)c(F)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H22FNO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3
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58n/an/an/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity against beta-2 adrenergic receptor in guinea pig lung membranes


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM82482
PNG
(TMQ, S-(+)-8-Fluoro)
Show SMILES COc1cc(C[C@@H]2NCCc3cc(O)c(O)c(F)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H22FNO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3/t12-/m0/s1
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76n/an/an/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity against Beta-1 adrenergic receptor in guinea pig left ventricle


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
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87n/an/an/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity against Beta-1 adrenergic receptor in guinea pig left ventricle


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM82493
PNG
(CAS_128658 | NSC_128658 | TMQ, (+/-)-8-Fluoro)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)c(F)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H22FNO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3
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98n/an/an/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity against beta-1 adrenergic receptor in guinea pig left ventricle


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM82497
PNG
(TMQ, R-(-)-8-Fluoro)
Show SMILES COc1cc(C[C@H]2NCCc3cc(O)c(O)c(F)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H22FNO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3/t12-/m1/s1
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372n/an/an/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity against Beta-2 adrenergic receptor in guinea pig lung membranes


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM82497
PNG
(TMQ, R-(-)-8-Fluoro)
Show SMILES COc1cc(C[C@H]2NCCc3cc(O)c(O)c(F)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H22FNO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3/t12-/m1/s1
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1.15E+3n/an/an/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity against Beta-1 adrenergic receptor in guinea pig left ventricle


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
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n/an/a 282n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory activity against U-46,619-induced responses in human platelet aggregation (Thromboxane A2 alpha receptor)


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM82497
PNG
(TMQ, R-(-)-8-Fluoro)
Show SMILES COc1cc(C[C@H]2NCCc3cc(O)c(O)c(F)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H22FNO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3/t12-/m1/s1
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n/an/a 2.46E+3n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory activity against U-46,619-induced responses in human platelet aggregation (Thromboxane A2 alpha receptor)


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50036914
PNG
(4-Naphthalen-1-ylmethyl-1H-imidazole; hydrochlorid...)
Show SMILES C(c1cnc[nH]1)c1cccc2ccccc12
Show InChI InChI=1S/C14H12N2/c1-2-7-14-11(4-1)5-3-6-12(14)8-13-9-15-10-16-13/h1-7,9-10H,8H2,(H,15,16)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Tested for its ability to antagonize epinephrine induced primary wave aggregation in human platelets at alpha-2A-adrenergic receptor sites.


J Med Chem 37: 2328-33 (1994)


BindingDB Entry DOI: 10.7270/Q26110ZR
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM82502
PNG
(TMQ, 8-Iodo)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)c(I)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H22INO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3
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n/an/a 3.09E+3n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory activity against U-46,619-induced responses in human platelet aggregation (Thromboxane A2 alpha receptor)


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50036913
PNG
((+-)-4-(alpha,2,3-trimethylbenzyl)imidazole | 4-[1...)
Show SMILES CC(c1cnc[nH]1)c1cccc(C)c1C
Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Tested for its ability to antagonize epinephrine induced primary wave aggregation in human platelets at alpha-2A-adrenergic receptor sites.


J Med Chem 37: 2328-33 (1994)


BindingDB Entry DOI: 10.7270/Q26110ZR
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50036910
PNG
(4-(1-Naphthalen-1-yl-ethyl)-1H-imidazole | CHEMBL3...)
Show SMILES CC(c1cnc[nH]1)c1cccc2ccccc12
Show InChI InChI=1S/C15H14N2/c1-11(15-9-16-10-17-15)13-8-4-6-12-5-2-3-7-14(12)13/h2-11H,1H3,(H,16,17)
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n/an/a 9.10E+3n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Tested for its ability to antagonize epinephrine induced primary wave aggregation in human platelets at alpha-2A-adrenergic receptor sites.


J Med Chem 37: 2328-33 (1994)


BindingDB Entry DOI: 10.7270/Q26110ZR
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50036910
PNG
(4-(1-Naphthalen-1-yl-ethyl)-1H-imidazole | CHEMBL3...)
Show SMILES CC(c1cnc[nH]1)c1cccc2ccccc12
Show InChI InChI=1S/C15H14N2/c1-11(15-9-16-10-17-15)13-8-4-6-12-5-2-3-7-14(12)13/h2-11H,1H3,(H,16,17)
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n/an/a 1.23E+4n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Tested for its ability to antagonize epinephrine induced primary wave aggregation in human platelets at alpha-2A-adrenergic receptor sites.


J Med Chem 37: 2328-33 (1994)


BindingDB Entry DOI: 10.7270/Q26110ZR
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM82482
PNG
(TMQ, S-(+)-8-Fluoro)
Show SMILES COc1cc(C[C@@H]2NCCc3cc(O)c(O)c(F)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H22FNO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3/t12-/m0/s1
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n/an/a 3.98E+4n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory activity against U-46,619-induced responses in human platelet aggregation (Thromboxane A2 alpha receptor)


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50036911
PNG
((1H-Imidazol-4-yl)-naphthalen-1-yl-methanol; hydro...)
Show SMILES OC(c1cnc[nH]1)c1cccc2ccccc12
Show InChI InChI=1S/C14H12N2O/c17-14(13-8-15-9-16-13)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,14,17H,(H,15,16)
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n/an/a 6.19E+4n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Tested for its ability to antagonize epinephrine induced primary wave aggregation in human platelets at alpha-2A-adrenergic receptor sites.


J Med Chem 37: 2328-33 (1994)


BindingDB Entry DOI: 10.7270/Q26110ZR
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM82488
PNG
(TMQ, 5-Iodo)
Show SMILES COc1cc(CC2NCCc3c(I)c(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H22INO5/c1-24-15-7-10(8-16(25-2)19(15)26-3)6-13-12-9-14(22)18(23)17(20)11(12)4-5-21-13/h7-9,13,21-23H,4-6H2,1-3H3
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n/an/a 1.20E+5n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory activity against U-46,619-induced responses in human platelet aggregation (Thromboxane A2 alpha receptor)


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM82498
PNG
(TMQ, 5,8-Difluoro)
Show SMILES COc1cc(CC2NCCc3c(F)c(O)c(O)c(F)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H21F2NO5/c1-25-12-7-9(8-13(26-2)19(12)27-3)6-11-14-10(4-5-22-11)15(20)17(23)18(24)16(14)21/h7-8,11,22-24H,4-6H2,1-3H3
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n/an/a 1.58E+5n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory activity against U-46,619-induced responses in human platelet aggregation (Thromboxane A2 alpha receptor)


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1E/1F/2A/2B/2C/3A/3B/3C/3D/3E/4/5A/6/7


(Homo sapiens (Human))
BDBM50022536
PNG
(CHEMBL15228)
Show SMILES Cl.Oc1ccc(Cc2ncc[nH]2)cc1O
Show InChI InChI=1S/C11H11N3O/c12-13-11(15)9-3-5-10(6-4-9)14-7-1-2-8-14/h1-8H,12H2,(H,13,15)
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n/an/a 1.62E+5n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of AA+phentolamine by the compound in response of SEC


J Med Chem 33: 1138-44 (1990)


BindingDB Entry DOI: 10.7270/Q2ZC853J
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50036912
PNG
(2,2,2-Trifluoro-1-(1H-imidazol-4-yl)-1-naphthalen-...)
Show SMILES OC(c1cnc[nH]1)(c1cccc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C15H11F3N2O/c16-15(17,18)14(21,13-8-19-9-20-13)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,21H,(H,19,20)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Tested for its ability to antagonize epinephrine induced primary wave aggregation in human platelets at alpha-2A-adrenergic receptor sites.


J Med Chem 37: 2328-33 (1994)


BindingDB Entry DOI: 10.7270/Q26110ZR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1E/1F/2A/2B/2C/3A/3B/3C/3D/3E/4/5A/6/7


(Homo sapiens (Human))
BDBM50022536
PNG
(CHEMBL15228)
Show SMILES Cl.Oc1ccc(Cc2ncc[nH]2)cc1O
Show InChI InChI=1S/C11H11N3O/c12-13-11(15)9-3-5-10(6-4-9)14-7-1-2-8-14/h1-8H,12H2,(H,13,15)
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n/an/a 3.47E+5n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of ADP by the compound in response of SEC


J Med Chem 33: 1138-44 (1990)


BindingDB Entry DOI: 10.7270/Q2ZC853J
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50036916
PNG
(4-(Methoxy-naphthalen-1-yl-methyl)-1H-imidazole; h...)
Show SMILES COC(c1cnc[nH]1)c1cccc2ccccc12
Show InChI InChI=1S/C15H14N2O/c1-18-15(14-9-16-10-17-14)13-8-4-6-11-5-2-3-7-12(11)13/h2-10,15H,1H3,(H,16,17)
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n/an/a 3.80E+5n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Tested for its ability to antagonize epinephrine induced primary wave aggregation in human platelets at alpha-2A-adrenergic receptor sites.


J Med Chem 37: 2328-33 (1994)


BindingDB Entry DOI: 10.7270/Q26110ZR
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50036915
PNG
((1H-Imidazol-4-yl)-naphthalen-1-yl-methanone; oxal...)
Show SMILES O=C(c1cnc[nH]1)c1cccc2ccccc12
Show InChI InChI=1S/C14H10N2O/c17-14(13-8-15-9-16-13)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,15,16)
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n/an/a 5.80E+5n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Tested for its ability to antagonize epinephrine induced primary wave aggregation in human platelets at alpha-2A-adrenergic receptor sites.


J Med Chem 37: 2328-33 (1994)


BindingDB Entry DOI: 10.7270/Q26110ZR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1E/1F/2A/2B/2C/3A/3B/3C/3D/3E/4/5A/6/7


(Homo sapiens (Human))
BDBM50022536
PNG
(CHEMBL15228)
Show SMILES Cl.Oc1ccc(Cc2ncc[nH]2)cc1O
Show InChI InChI=1S/C11H11N3O/c12-13-11(15)9-3-5-10(6-4-9)14-7-1-2-8-14/h1-8H,12H2,(H,13,15)
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n/an/a 6.61E+5n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of Arachidonic acid by the compound in response of SEC


J Med Chem 33: 1138-44 (1990)


BindingDB Entry DOI: 10.7270/Q2ZC853J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1E/1F/2A/2B/2C/3A/3B/3C/3D/3E/4/5A/6/7


(Homo sapiens (Human))
BDBM50022536
PNG
(CHEMBL15228)
Show SMILES Cl.Oc1ccc(Cc2ncc[nH]2)cc1O
Show InChI InChI=1S/C11H11N3O/c12-13-11(15)9-3-5-10(6-4-9)14-7-1-2-8-14/h1-8H,12H2,(H,13,15)
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n/an/a 8.13E+5n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of U-46,619 + phentolamine by the compound in response of SEC


J Med Chem 33: 1138-44 (1990)


BindingDB Entry DOI: 10.7270/Q2ZC853J
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM82504
PNG
(TMQ, 5-TrifluoroMe)
Show SMILES COc1cc(CC2NCCc3c2cc(O)c(O)c3C(F)(F)F)cc(OC)c1OC
Show InChI InChI=1S/C20H22F3NO5/c1-27-15-7-10(8-16(28-2)19(15)29-3)6-13-12-9-14(25)18(26)17(20(21,22)23)11(12)4-5-24-13/h7-9,13,24-26H,4-6H2,1-3H3
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n/an/a 8.32E+5n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory activity against U-46,619-induced responses in human platelet aggregation (Thromboxane A2 alpha receptor)


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1E/1F/2A/2B/2C/3A/3B/3C/3D/3E/4/5A/6/7


(Homo sapiens (Human))
BDBM50022536
PNG
(CHEMBL15228)
Show SMILES Cl.Oc1ccc(Cc2ncc[nH]2)cc1O
Show InChI InChI=1S/C11H11N3O/c12-13-11(15)9-3-5-10(6-4-9)14-7-1-2-8-14/h1-8H,12H2,(H,13,15)
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n/an/a 1.55E+6n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of U-46,619 by the compound in response of SEC


J Med Chem 33: 1138-44 (1990)


BindingDB Entry DOI: 10.7270/Q2ZC853J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1E/1F/2A/2B/2C/3A/3B/3C/3D/3E/4/5A/6/7


(Homo sapiens (Human))
BDBM50022596
PNG
(CHEMBL14837)
Show SMILES Cl.OC(c1ncc[nH]1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C34H53N5O6/c1-22(2)16-29(40)30(41)26(17-23-12-8-6-9-13-23)37-32(43)28(19-25-20-35-21-36-25)38-31(42)27(18-24-14-10-7-11-15-24)39-33(44)45-34(3,4)5/h7,10-11,14-15,20-23,26-30,40-41H,6,8-9,12-13,16-19H2,1-5H3,(H,35,36)(H,37,43)(H,38,42)(H,39,44)/t26-,27?,28?,29?,30+/m0/s1
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n/an/a 2.29E+12n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Stimulatory activity against serotonin secretion (SEC).


J Med Chem 33: 1138-44 (1990)


BindingDB Entry DOI: 10.7270/Q2ZC853J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1E/1F/2A/2B/2C/3A/3B/3C/3D/3E/4/5A/6/7


(Homo sapiens (Human))
BDBM50022537
PNG
(CHEMBL14508)
Show SMILES Cl.Oc1cc(F)c(CC2=NCCN2)cc1O |t:7|
Show InChI InChI=1S/C11H11N3O/c12-13-11(15)9-4-3-5-10(8-9)14-6-1-2-7-14/h1-8H,12H2,(H,13,15)
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n/an/a 3.63E+13n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Stimulatory activity against serotonin secretion (SEC).


J Med Chem 33: 1138-44 (1990)


BindingDB Entry DOI: 10.7270/Q2ZC853J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1E/1F/2A/2B/2C/3A/3B/3C/3D/3E/4/5A/6/7


(Homo sapiens (Human))
BDBM50022538
PNG
(CHEMBL14651)
Show SMILES Cl.Oc1cc(CC2=NCCN2)cc(F)c1O |t:5|
Show InChI InChI=1S/C11H11N3O/c12-13-11(15)9-5-1-2-6-10(9)14-7-3-4-8-14/h1-8H,12H2,(H,13,15)
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n/an/a 5.50E+13n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Stimulatory activity against serotonin secretion (SEC).


J Med Chem 33: 1138-44 (1990)


BindingDB Entry DOI: 10.7270/Q2ZC853J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1E/1F/2A/2B/2C/3A/3B/3C/3D/3E/4/5A/6/7


(Homo sapiens (Human))
BDBM50022539
PNG
(CHEMBL14982)
Show SMILES Cl.Oc1ccc(CC2=NCCN2)c(F)c1O |t:6|
Show InChI InChI=1S/C12H13N3O/c13-14-12(16)9-10-4-3-5-11(8-10)15-6-1-2-7-15/h1-8H,9,13H2,(H,14,16)
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n/an/a 6.46E+13n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Stimulatory activity against serotonin secretion (SEC).


J Med Chem 33: 1138-44 (1990)


BindingDB Entry DOI: 10.7270/Q2ZC853J
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM82497
PNG
(TMQ, R-(-)-8-Fluoro)
Show SMILES COc1cc(C[C@H]2NCCc3cc(O)c(O)c(F)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H22FNO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3/t12-/m1/s1
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n/an/an/an/a 3.55E+3n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta-2 adrenergic receptor in guinea pig trachea


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
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n/an/an/an/a 174n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta-1 adrenergic receptor in guinea pig atria after treatment with the compound


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM82488
PNG
(TMQ, 5-Iodo)
Show SMILES COc1cc(CC2NCCc3c(I)c(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H22INO5/c1-24-15-7-10(8-16(25-2)19(15)26-3)6-13-12-9-14(22)18(23)17(20)11(12)4-5-21-13/h7-9,13,21-23H,4-6H2,1-3H3
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n/an/an/an/a>3.16E+4n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta-1 adrenergic receptor in guinea pig atria after treatment with the compound


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM82488
PNG
(TMQ, 5-Iodo)
Show SMILES COc1cc(CC2NCCc3c(I)c(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H22INO5/c1-24-15-7-10(8-16(25-2)19(15)26-3)6-13-12-9-14(22)18(23)17(20)11(12)4-5-21-13/h7-9,13,21-23H,4-6H2,1-3H3
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n/an/an/an/a 2.24E+3n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta-2 adrenergic receptor in guinea pig trachea after treatment with the compound


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM82497
PNG
(TMQ, R-(-)-8-Fluoro)
Show SMILES COc1cc(C[C@H]2NCCc3cc(O)c(O)c(F)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H22FNO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3/t12-/m1/s1
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n/an/an/an/a 6.03E+3n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta-1 adrenergic receptor in guinea pig atria


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM82498
PNG
(TMQ, 5,8-Difluoro)
Show SMILES COc1cc(CC2NCCc3c(F)c(O)c(O)c(F)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H21F2NO5/c1-25-12-7-9(8-13(26-2)19(12)27-3)6-11-14-10(4-5-22-11)15(20)17(23)18(24)16(14)21/h7-8,11,22-24H,4-6H2,1-3H3
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n/an/an/an/a 240n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta-2 adrenergic receptor in guinea pig trachea after treatment with the compound


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
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n/an/an/an/a 26n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta-2 adrenergic receptor in guinea pig trachea after treatment with the compound


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM82502
PNG
(TMQ, 8-Iodo)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)c(I)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H22INO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3
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n/an/an/an/a 1.18E+3n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta-2 adrenergic receptor in guinea pig trachea after treatment with the compound


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM82498
PNG
(TMQ, 5,8-Difluoro)
Show SMILES COc1cc(CC2NCCc3c(F)c(O)c(O)c(F)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H21F2NO5/c1-25-12-7-9(8-13(26-2)19(12)27-3)6-11-14-10(4-5-22-11)15(20)17(23)18(24)16(14)21/h7-8,11,22-24H,4-6H2,1-3H3
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n/an/an/an/a 501n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta-1 adrenergic receptor in guinea pig atria after treatment with the compound


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM82482
PNG
(TMQ, S-(+)-8-Fluoro)
Show SMILES COc1cc(C[C@@H]2NCCc3cc(O)c(O)c(F)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H22FNO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3/t12-/m0/s1
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n/an/an/an/a 295n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta-2 adrenergic receptor in guinea pig trachea


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM82504
PNG
(TMQ, 5-TrifluoroMe)
Show SMILES COc1cc(CC2NCCc3c2cc(O)c(O)c3C(F)(F)F)cc(OC)c1OC
Show InChI InChI=1S/C20H22F3NO5/c1-27-15-7-10(8-16(28-2)19(15)29-3)6-13-12-9-14(25)18(26)17(20(21,22)23)11(12)4-5-24-13/h7-9,13,24-26H,4-6H2,1-3H3
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n/an/an/an/a 2.82E+3n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta-1 adrenergic receptor in guinea pig atria after treatment with the compound


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM82502
PNG
(TMQ, 8-Iodo)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)c(I)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H22INO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 2.95E+3n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta-1 adrenergic receptor in guinea pig atria after treatment with the compound


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM82482
PNG
(TMQ, S-(+)-8-Fluoro)
Show SMILES COc1cc(C[C@@H]2NCCc3cc(O)c(O)c(F)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H22FNO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3/t12-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 240n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta-1 adrenergic receptor in guinea pig atria


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM82504
PNG
(TMQ, 5-TrifluoroMe)
Show SMILES COc1cc(CC2NCCc3c2cc(O)c(O)c3C(F)(F)F)cc(OC)c1OC
Show InChI InChI=1S/C20H22F3NO5/c1-27-15-7-10(8-16(28-2)19(15)29-3)6-13-12-9-14(25)18(26)17(20(21,22)23)11(12)4-5-24-13/h7-9,13,24-26H,4-6H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 129n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta-2 adrenergic receptor in guinea pig trachea after treatment with the compound


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair