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Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'rose' and Initial = 'ja'   
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
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50388101
PNG
(CHEMBL2059380)
Show SMILES CCNC(=O)c1cc2c(c(cnc2[nH]1)-c1cc(cnc1OC)-c1n[nH]c(=O)o1)-n1ccc(n1)C(F)(F)F
Show InChI InChI=1S/C22H17F3N8O4/c1-3-26-18(34)14-7-12-16(33-5-4-15(32-33)22(23,24)25)13(9-27-17(12)29-14)11-6-10(8-28-20(11)36-2)19-30-31-21(35)37-19/h4-9H,3H2,1-2H3,(H,26,34)(H,27,29)(H,31,35)
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B expressed in Escherichia coli BL21(DE3) cells assessed ATP hydrolysis activity after 18 to 24 hrs by...


Bioorg Med Chem Lett 22: 5150-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.128
BindingDB Entry DOI: 10.7270/Q2D79CG0
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50388100
PNG
(CHEMBL2059379)
Show SMILES CCNC(=O)c1cc2c(c(cnc2[nH]1)-c1cnc(OC)c(c1)-c1n[nH]c(=O)o1)-n1ccc(n1)C(F)(F)F
Show InChI InChI=1S/C22H17F3N8O4/c1-3-26-18(34)14-7-11-16(33-5-4-15(32-33)22(23,24)25)13(9-27-17(11)29-14)10-6-12(19(36-2)28-8-10)20-30-31-21(35)37-20/h4-9H,3H2,1-2H3,(H,26,34)(H,27,29)(H,31,35)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B expressed in Escherichia coli BL21(DE3) cells assessed ATP hydrolysis activity after 18 to 24 hrs by...


Bioorg Med Chem Lett 22: 5150-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.128
BindingDB Entry DOI: 10.7270/Q2D79CG0
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50388092
PNG
(CHEMBL2059196)
Show SMILES CCNC(=O)c1cc2c(c(cnc2[nH]1)-c1cncc(c1)C(O)=O)-n1ccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H15F3N6O3/c1-2-25-18(30)14-6-12-16(29-4-3-15(28-29)20(21,22)23)13(9-26-17(12)27-14)10-5-11(19(31)32)8-24-7-10/h3-9H,2H2,1H3,(H,25,30)(H,26,27)(H,31,32)
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B expressed in Escherichia coli BL21(DE3) cells assessed ATP hydrolysis activity after 18 to 24 hrs by...


Bioorg Med Chem Lett 22: 5150-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.128
BindingDB Entry DOI: 10.7270/Q2D79CG0
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50388097
PNG
(CHEMBL2059375)
Show SMILES CCNC(=O)c1cc2c(c(cnc2[nH]1)-c1cncc(c1)C(N)=O)-n1ccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H16F3N7O2/c1-2-26-19(32)14-6-12-16(30-4-3-15(29-30)20(21,22)23)13(9-27-18(12)28-14)10-5-11(17(24)31)8-25-7-10/h3-9H,2H2,1H3,(H2,24,31)(H,26,32)(H,27,28)
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B expressed in Escherichia coli BL21(DE3) cells assessed ATP hydrolysis activity after 18 to 24 hrs by...


Bioorg Med Chem Lett 22: 5150-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.128
BindingDB Entry DOI: 10.7270/Q2D79CG0
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50388098
PNG
(CHEMBL2059376)
Show SMILES CCNC(=O)c1cc2c(c(cnc2[nH]1)-c1cncc(c1)C(=O)NC)-n1ccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H18F3N7O2/c1-3-27-20(33)15-7-13-17(31-5-4-16(30-31)21(22,23)24)14(10-28-18(13)29-15)11-6-12(9-26-8-11)19(32)25-2/h4-10H,3H2,1-2H3,(H,25,32)(H,27,33)(H,28,29)
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n/an/a 11n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B expressed in Escherichia coli BL21(DE3) cells assessed ATP hydrolysis activity after 18 to 24 hrs by...


Bioorg Med Chem Lett 22: 5150-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.128
BindingDB Entry DOI: 10.7270/Q2D79CG0
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50388099
PNG
(CHEMBL2059377)
Show SMILES CCNC(=O)c1cc2c(c(cnc2[nH]1)-c1cncc(c1)C#N)-n1ccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H14F3N7O/c1-2-26-19(31)15-6-13-17(30-4-3-16(29-30)20(21,22)23)14(10-27-18(13)28-15)12-5-11(7-24)8-25-9-12/h3-6,8-10H,2H2,1H3,(H,26,31)(H,27,28)
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n/an/a 23n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B expressed in Escherichia coli BL21(DE3) cells assessed ATP hydrolysis activity after 18 to 24 hrs by...


Bioorg Med Chem Lett 22: 5150-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.128
BindingDB Entry DOI: 10.7270/Q2D79CG0
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50388095
PNG
(CHEMBL2059373)
Show SMILES OC(=O)c1cncc(c1)-c1cnc2[nH]c(cc2c1-n1ccc(n1)C(F)(F)F)C(=O)NC1CC1
Show InChI InChI=1S/C21H15F3N6O3/c22-21(23,24)16-3-4-30(29-16)17-13-6-15(19(31)27-12-1-2-12)28-18(13)26-9-14(17)10-5-11(20(32)33)8-25-7-10/h3-9,12H,1-2H2,(H,26,28)(H,27,31)(H,32,33)
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n/an/a 39n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B expressed in Escherichia coli BL21(DE3) cells assessed ATP hydrolysis activity after 18 to 24 hrs by...


Bioorg Med Chem Lett 22: 5150-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.128
BindingDB Entry DOI: 10.7270/Q2D79CG0
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50388093
PNG
(CHEMBL2059197)
Show SMILES CCCNC(=O)c1cc2c(c(cnc2[nH]1)-c1cncc(c1)C(O)=O)-n1ccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N6O3/c1-2-4-26-19(31)15-7-13-17(30-5-3-16(29-30)21(22,23)24)14(10-27-18(13)28-15)11-6-12(20(32)33)9-25-8-11/h3,5-10H,2,4H2,1H3,(H,26,31)(H,27,28)(H,32,33)
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n/an/a 58n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B expressed in Escherichia coli BL21(DE3) cells assessed ATP hydrolysis activity after 18 to 24 hrs by...


Bioorg Med Chem Lett 22: 5150-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.128
BindingDB Entry DOI: 10.7270/Q2D79CG0
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50388096
PNG
(CHEMBL2059374)
Show SMILES CCNC(=O)c1cc2c(c(cnc2[nH]1)-c1cncc(c1)C(O)=O)-n1nc(cc1C)C(F)(F)F |(24.55,-4.68,;25.31,-6.02,;26.85,-6.02,;27.62,-7.35,;26.85,-8.69,;29.16,-7.35,;30.07,-8.61,;31.54,-8.13,;32.88,-8.9,;34.21,-8.13,;34.21,-6.58,;32.87,-5.82,;31.54,-6.58,;30.07,-6.1,;35.54,-8.9,;35.54,-10.44,;36.88,-11.21,;38.21,-10.44,;38.2,-8.89,;36.87,-8.13,;39.54,-8.11,;40.87,-8.87,;39.53,-6.57,;32.88,-10.44,;34.13,-11.34,;33.65,-12.81,;32.11,-12.81,;31.63,-11.34,;30.17,-10.86,;34.55,-14.05,;33.93,-15.46,;36.09,-13.89,;35.31,-15.38,)|
Show InChI InChI=1S/C21H17F3N6O3/c1-3-26-19(31)15-6-13-17(30-10(2)4-16(29-30)21(22,23)24)14(9-27-18(13)28-15)11-5-12(20(32)33)8-25-7-11/h4-9H,3H2,1-2H3,(H,26,31)(H,27,28)(H,32,33)
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n/an/a 133n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B expressed in Escherichia coli BL21(DE3) cells assessed ATP hydrolysis activity after 18 to 24 hrs by...


Bioorg Med Chem Lett 22: 5150-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.128
BindingDB Entry DOI: 10.7270/Q2D79CG0
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50388094
PNG
(CHEMBL2059198)
Show SMILES CC(C)NC(=O)c1cc2c(c(cnc2[nH]1)-c1cncc(c1)C(O)=O)-n1ccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N6O3/c1-10(2)27-19(31)15-6-13-17(30-4-3-16(29-30)21(22,23)24)14(9-26-18(13)28-15)11-5-12(20(32)33)8-25-7-11/h3-10H,1-2H3,(H,26,28)(H,27,31)(H,32,33)
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n/an/a 147n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B expressed in Escherichia coli BL21(DE3) cells assessed ATP hydrolysis activity after 18 to 24 hrs by...


Bioorg Med Chem Lett 22: 5150-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.128
BindingDB Entry DOI: 10.7270/Q2D79CG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50404642
PNG
(CHEMBL175328)
Show SMILES COc1ccc(O)c(CC(C)N(C)C)c1
Show InChI InChI=1S/C12H19NO2/c1-9(13(2)3)7-10-8-11(15-4)5-6-12(10)14/h5-6,8-9,14H,7H2,1-4H3
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n/an/an/a 316n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic against 5-hydroxytryptamine 2B receptor


J Med Chem 23: 990-4 (1980)


BindingDB Entry DOI: 10.7270/Q2668FCW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM29135
PNG
(CHEMBL11608 | cid_5610 | p-Tyramine | tyramine)
Show SMILES NCCc1ccc(O)cc1
Show InChI InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
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n/an/an/a 7.94E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity of corresponding methoxy compound against serotonin 5-HT receptor


J Med Chem 23: 990-4 (1980)


BindingDB Entry DOI: 10.7270/Q2668FCW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50404640
PNG
(CHEMBL175204)
Show SMILES COc1ccc(O)c(CCN)c1
Show InChI InChI=1S/C9H13NO2/c1-12-8-2-3-9(11)7(6-8)4-5-10/h2-3,6,11H,4-5,10H2,1H3
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n/an/an/a 79.4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against 5-hydroxytryptamine 2B receptor obtained from rat stomach fundus preparation


J Med Chem 23: 990-4 (1980)


BindingDB Entry DOI: 10.7270/Q2668FCW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50404641
PNG
(CHEMBL174563)
Show SMILES COc1ccc(O)c(CCN(C)C)c1
Show InChI InChI=1S/C11H17NO2/c1-12(2)7-6-9-8-10(14-3)4-5-11(9)13/h4-5,8,13H,6-7H2,1-3H3
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TBA

Curated by ChEMBL


Assay Description
Antagonistic against 5-hydroxytryptamine 2B receptor


J Med Chem 23: 990-4 (1980)


BindingDB Entry DOI: 10.7270/Q2668FCW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50404645
PNG
(CHEMBL175205)
Show SMILES COc1ccc(O)c(CC(C)N)c1
Show InChI InChI=1S/C10H15NO2/c1-7(11)5-8-6-9(13-2)3-4-10(8)12/h3-4,6-7,12H,5,11H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against 5-hydroxytryptamine 2B receptor obtained from rat stomach fundus preparation


J Med Chem 23: 990-4 (1980)


BindingDB Entry DOI: 10.7270/Q2668FCW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50404648
PNG
(3-O-Methyl-Alpha-Methyldopamine | CHEMBL1347)
Show SMILES COc1cc(CC(C)N)ccc1O
Show InChI InChI=1S/C10H15NO2/c1-7(11)5-8-3-4-9(12)10(6-8)13-2/h3-4,6-7,12H,5,11H2,1-2H3
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n/an/an/a 3.55E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic against 5-hydroxytryptamine 2B receptor


J Med Chem 23: 990-4 (1980)


BindingDB Entry DOI: 10.7270/Q2668FCW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50404646
PNG
(CHEMBL177800)
Show SMILES COc1cc(C)c(O)cc1CC(C)N
Show InChI InChI=1S/C11H17NO2/c1-7-4-11(14-3)9(5-8(2)12)6-10(7)13/h4,6,8,13H,5,12H2,1-3H3
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n/an/an/a 12.3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against 5-hydroxytryptamine 2B receptor obtained from rat stomach fundus preparation


J Med Chem 23: 990-4 (1980)


BindingDB Entry DOI: 10.7270/Q2668FCW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50404647
PNG
(CHEMBL174723)
Show SMILES COc1ccc(CC(C)N)cc1O
Show InChI InChI=1S/C10H15NO2/c1-7(11)5-8-3-4-10(13-2)9(12)6-8/h3-4,6-7,12H,5,11H2,1-2H3
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n/an/an/a 3.55E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic against 5-hydroxytryptamine 2B receptor


J Med Chem 23: 990-4 (1980)


BindingDB Entry DOI: 10.7270/Q2668FCW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50404643
PNG
(CHEMBL175272)
Show SMILES COc1ccc(CC(C)N)c(O)c1
Show InChI InChI=1S/C10H15NO2/c1-7(11)5-8-3-4-9(13-2)6-10(8)12/h3-4,6-7,12H,5,11H2,1-2H3
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n/an/an/a 2.51E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic against 5-hydroxytryptamine 2B receptor


J Med Chem 23: 990-4 (1980)


BindingDB Entry DOI: 10.7270/Q2668FCW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50404639
PNG
(CHEMBL174449)
Show SMILES COc1ccc(OCc2ccccc2)c(CCN(C)C)c1
Show InChI InChI=1S/C18H23NO2/c1-19(2)12-11-16-13-17(20-3)9-10-18(16)21-14-15-7-5-4-6-8-15/h4-10,13H,11-12,14H2,1-3H3
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TBA

Curated by ChEMBL


Assay Description
Antagonistic against 5-hydroxytryptamine 2B receptor


J Med Chem 23: 990-4 (1980)


BindingDB Entry DOI: 10.7270/Q2668FCW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50404641
PNG
(CHEMBL174563)
Show SMILES COc1ccc(O)c(CCN(C)C)c1
Show InChI InChI=1S/C11H17NO2/c1-12(2)7-6-9-8-10(14-3)4-5-11(9)13/h4-5,8,13H,6-7H2,1-3H3
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n/an/an/a 145n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against 5-hydroxytryptamine 2B receptor obtained from rat stomach fundus preparation


J Med Chem 23: 990-4 (1980)


BindingDB Entry DOI: 10.7270/Q2668FCW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50404644
PNG
(CHEMBL174380)
Show SMILES COc1cc(CC(C)N)c(O)cc1C
Show InChI InChI=1S/C11H17NO2/c1-7-4-10(13)9(5-8(2)12)6-11(7)14-3/h4,6,8,13H,5,12H2,1-3H3
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n/an/an/a 76n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic against 5-hydroxytryptamine 2B receptor


J Med Chem 23: 990-4 (1980)


BindingDB Entry DOI: 10.7270/Q2668FCW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50404647
PNG
(CHEMBL174723)
Show SMILES COc1ccc(CC(C)N)cc1O
Show InChI InChI=1S/C10H15NO2/c1-7(11)5-8-3-4-10(13-2)9(12)6-8/h3-4,6-7,12H,5,11H2,1-2H3
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n/an/an/a 135n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against 5-hydroxytryptamine 2B receptor obtained from rat stomach fundus preparation


J Med Chem 23: 990-4 (1980)


BindingDB Entry DOI: 10.7270/Q2668FCW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50404639
PNG
(CHEMBL174449)
Show SMILES COc1ccc(OCc2ccccc2)c(CCN(C)C)c1
Show InChI InChI=1S/C18H23NO2/c1-19(2)12-11-16-13-17(20-3)9-10-18(16)21-14-15-7-5-4-6-8-15/h4-10,13H,11-12,14H2,1-3H3
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n/an/an/a 3.63E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against 5-hydroxytryptamine 2B receptor obtained from rat stomach fundus preparation


J Med Chem 23: 990-4 (1980)


BindingDB Entry DOI: 10.7270/Q2668FCW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50404640
PNG
(CHEMBL175204)
Show SMILES COc1ccc(O)c(CCN)c1
Show InChI InChI=1S/C9H13NO2/c1-12-8-2-3-9(11)7(6-8)4-5-10/h2-3,6,11H,4-5,10H2,1H3
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n/an/an/a 141n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic against 5-hydroxytryptamine 2B receptor


J Med Chem 23: 990-4 (1980)


BindingDB Entry DOI: 10.7270/Q2668FCW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50404642
PNG
(CHEMBL175328)
Show SMILES COc1ccc(O)c(CC(C)N(C)C)c1
Show InChI InChI=1S/C12H19NO2/c1-9(13(2)3)7-10-8-11(15-4)5-6-12(10)14/h5-6,8-9,14H,7H2,1-4H3
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n/an/an/a 166n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against 5-hydroxytryptamine 2B receptor obtained from rat stomach fundus preparation


J Med Chem 23: 990-4 (1980)


BindingDB Entry DOI: 10.7270/Q2668FCW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50404645
PNG
(CHEMBL175205)
Show SMILES COc1ccc(O)c(CC(C)N)c1
Show InChI InChI=1S/C10H15NO2/c1-7(11)5-8-6-9(13-2)3-4-10(8)12/h3-4,6-7,12H,5,11H2,1-2H3
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n/an/an/a 148n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic against 5-hydroxytryptamine 2B receptor


J Med Chem 23: 990-4 (1980)


BindingDB Entry DOI: 10.7270/Q2668FCW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50404644
PNG
(CHEMBL174380)
Show SMILES COc1cc(CC(C)N)c(O)cc1C
Show InChI InChI=1S/C11H17NO2/c1-7-4-10(13)9(5-8(2)12)6-11(7)14-3/h4,6,8,13H,5,12H2,1-3H3
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n/an/an/a 36.3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against 5-hydroxytryptamine 2B receptor obtained from rat stomach fundus preparation


J Med Chem 23: 990-4 (1980)


BindingDB Entry DOI: 10.7270/Q2668FCW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50404648
PNG
(3-O-Methyl-Alpha-Methyldopamine | CHEMBL1347)
Show SMILES COc1cc(CC(C)N)ccc1O
Show InChI InChI=1S/C10H15NO2/c1-7(11)5-8-3-4-9(12)10(6-8)13-2/h3-4,6-7,12H,5,11H2,1-2H3
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n/an/an/a 6.46E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against 5-hydroxytryptamine 2B receptor obtained from rat stomach fundus preparation


J Med Chem 23: 990-4 (1980)


BindingDB Entry DOI: 10.7270/Q2668FCW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50404646
PNG
(CHEMBL177800)
Show SMILES COc1cc(C)c(O)cc1CC(C)N
Show InChI InChI=1S/C11H17NO2/c1-7-4-11(14-3)9(5-8(2)12)6-10(7)13/h4,6,8,13H,5,12H2,1-3H3
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n/an/an/a 76n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic against 5-hydroxytryptamine 2B receptor


J Med Chem 23: 990-4 (1980)


BindingDB Entry DOI: 10.7270/Q2668FCW
More data for this
Ligand-Target Pair