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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'ghoneim' and Initial = 'om'   
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
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50027065
PNG
((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)
Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O |r,c:4|
Show InChI InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Qatar University

Curated by ChEMBL


Assay Description
Displacement of [3H]carboxytryptamine from recombinant human 5-HT1B receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 21: 6714-23 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.046
BindingDB Entry DOI: 10.7270/Q23B60JF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50027065
PNG
((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)
Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O |r,c:4|
Show InChI InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Qatar University

Curated by ChEMBL


Assay Description
Displacement of [3H]GR125743 from recombinant human 5-HT1D receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 21: 6714-23 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.046
BindingDB Entry DOI: 10.7270/Q23B60JF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50356277
PNG
(CHEMBL1910792)
Show SMILES COc1ccc(NC(=O)c2ccc3N(CC(=O)N(C)c3c2)c2ccc(Cl)c(Cl)c2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C28H29Cl2N5O3/c1-32-10-12-34(13-11-32)25-15-19(5-9-26(25)38-3)31-28(37)18-4-8-23-24(14-18)33(2)27(36)17-35(23)20-6-7-21(29)22(30)16-20/h4-9,14-16H,10-13,17H2,1-3H3,(H,31,37)
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44n/an/an/an/an/an/an/an/a



Qatar University

Curated by ChEMBL


Assay Description
Displacement of [3H]GR125743 from recombinant human 5-HT1D receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 21: 6714-23 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.046
BindingDB Entry DOI: 10.7270/Q23B60JF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50356277
PNG
(CHEMBL1910792)
Show SMILES COc1ccc(NC(=O)c2ccc3N(CC(=O)N(C)c3c2)c2ccc(Cl)c(Cl)c2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C28H29Cl2N5O3/c1-32-10-12-34(13-11-32)25-15-19(5-9-26(25)38-3)31-28(37)18-4-8-23-24(14-18)33(2)27(36)17-35(23)20-6-7-21(29)22(30)16-20/h4-9,14-16H,10-13,17H2,1-3H3,(H,31,37)
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120n/an/an/an/an/an/an/an/a



Qatar University

Curated by ChEMBL


Assay Description
Displacement of [3H]carboxytryptamine from recombinant human 5-HT1B receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 21: 6714-23 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.046
BindingDB Entry DOI: 10.7270/Q23B60JF
More data for this
Ligand-Target Pair