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Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'abdelfattah' and Initial = 'ma'   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50439461
PNG
(CHEMBL2420773)
Show SMILES CCOc1ccccc1N1CCN(Cc2cccs2)CC1
Show InChI InChI=1S/C17H22N2OS/c1-2-20-17-8-4-3-7-16(17)19-11-9-18(10-12-19)14-15-6-5-13-21-15/h3-8,13H,2,9-12,14H2,1H3
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162n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor


Bioorg Med Chem Lett 23: 5077-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.033
BindingDB Entry DOI: 10.7270/Q2RN399W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50439449
PNG
(CHEMBL2420892)
Show SMILES CCOc1ccccc1N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H24N2O/c1-2-22-19-11-7-6-10-18(19)21-14-12-20(13-15-21)16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3
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217n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor


Bioorg Med Chem Lett 23: 5077-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.033
BindingDB Entry DOI: 10.7270/Q2RN399W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50439451
PNG
(CHEMBL2420890)
Show SMILES CCOc1ccccc1N1CCN(Cc2csc3ccccc23)CC1
Show InChI InChI=1S/C21H24N2OS/c1-2-24-20-9-5-4-8-19(20)23-13-11-22(12-14-23)15-17-16-25-21-10-6-3-7-18(17)21/h3-10,16H,2,11-15H2,1H3
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219n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor


Bioorg Med Chem Lett 23: 5077-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.033
BindingDB Entry DOI: 10.7270/Q2RN399W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50439448
PNG
(CHEMBL2420893)
Show SMILES Clc1cccc(N2CCN(Cc3ccccc3)CC2)c1Cl
Show InChI InChI=1S/C17H18Cl2N2/c18-15-7-4-8-16(17(15)19)21-11-9-20(10-12-21)13-14-5-2-1-3-6-14/h1-8H,9-13H2
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242n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor


Bioorg Med Chem Lett 23: 5077-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.033
BindingDB Entry DOI: 10.7270/Q2RN399W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50439455
PNG
(CHEMBL2420779)
Show SMILES CCOc1ccccc1N1CCN(Cc2cccnc2)CC1
Show InChI InChI=1S/C18H23N3O/c1-2-22-18-8-4-3-7-17(18)21-12-10-20(11-13-21)15-16-6-5-9-19-14-16/h3-9,14H,2,10-13,15H2,1H3
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255n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor


Bioorg Med Chem Lett 23: 5077-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.033
BindingDB Entry DOI: 10.7270/Q2RN399W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50439453
PNG
(CHEMBL2420781)
Show SMILES CCOc1ccccc1N1CCN(Cc2cccc3ccccc23)CC1
Show InChI InChI=1S/C23H26N2O/c1-2-26-23-13-6-5-12-22(23)25-16-14-24(15-17-25)18-20-10-7-9-19-8-3-4-11-21(19)20/h3-13H,2,14-18H2,1H3
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264n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor


Bioorg Med Chem Lett 23: 5077-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.033
BindingDB Entry DOI: 10.7270/Q2RN399W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50439454
PNG
(CHEMBL2420780)
Show SMILES Clc1cccc(N2CCN(Cc3cccnc3)CC2)c1Cl
Show InChI InChI=1S/C16H17Cl2N3/c17-14-4-1-5-15(16(14)18)21-9-7-20(8-10-21)12-13-3-2-6-19-11-13/h1-6,11H,7-10,12H2
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327n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor


Bioorg Med Chem Lett 23: 5077-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.033
BindingDB Entry DOI: 10.7270/Q2RN399W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50439452
PNG
(CHEMBL2420782)
Show SMILES Clc1cccc(N2CCN(Cc3cccc4ccccc34)CC2)c1Cl
Show InChI InChI=1S/C21H20Cl2N2/c22-19-9-4-10-20(21(19)23)25-13-11-24(12-14-25)15-17-7-3-6-16-5-1-2-8-18(16)17/h1-10H,11-15H2
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351n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor


Bioorg Med Chem Lett 23: 5077-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.033
BindingDB Entry DOI: 10.7270/Q2RN399W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50439450
PNG
(CHEMBL2420891)
Show SMILES Clc1cccc(N2CCN(Cc3csc4ccccc34)CC2)c1Cl
Show InChI InChI=1S/C19H18Cl2N2S/c20-16-5-3-6-17(19(16)21)23-10-8-22(9-11-23)12-14-13-24-18-7-2-1-4-15(14)18/h1-7,13H,8-12H2
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383n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor


Bioorg Med Chem Lett 23: 5077-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.033
BindingDB Entry DOI: 10.7270/Q2RN399W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50439447
PNG
(CHEMBL2420894)
Show SMILES CCOc1ccccc1N1CCN(Cc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C21H25N3O/c1-2-25-21-10-6-5-9-20(21)24-13-11-23(12-14-24)16-17-15-22-19-8-4-3-7-18(17)19/h3-10,15,22H,2,11-14,16H2,1H3
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473n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor


Bioorg Med Chem Lett 23: 5077-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.033
BindingDB Entry DOI: 10.7270/Q2RN399W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50439446
PNG
(CHEMBL2420895)
Show SMILES Clc1cccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)c1Cl
Show InChI InChI=1S/C19H19Cl2N3/c20-16-5-3-7-18(19(16)21)24-10-8-23(9-11-24)13-14-12-22-17-6-2-1-4-15(14)17/h1-7,12,22H,8-11,13H2
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502n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor


Bioorg Med Chem Lett 23: 5077-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.033
BindingDB Entry DOI: 10.7270/Q2RN399W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50439462
PNG
(CHEMBL2420772)
Show SMILES Clc1cccc(N2CCN(Cc3cccs3)CC2)c1Cl
Show InChI InChI=1S/C15H16Cl2N2S/c16-13-4-1-5-14(15(13)17)19-8-6-18(7-9-19)11-12-3-2-10-20-12/h1-5,10H,6-9,11H2
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1.55E+3n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor


Bioorg Med Chem Lett 23: 5077-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.033
BindingDB Entry DOI: 10.7270/Q2RN399W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50439457
PNG
(CHEMBL2420777)
Show SMILES Clc1ccc(cc1Cl)N1CCN(Cc2cccs2)CC1
Show InChI InChI=1S/C15H16Cl2N2S/c16-14-4-3-12(10-15(14)17)19-7-5-18(6-8-19)11-13-2-1-9-20-13/h1-4,9-10H,5-8,11H2
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1.59E+3n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor


Bioorg Med Chem Lett 23: 5077-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.033
BindingDB Entry DOI: 10.7270/Q2RN399W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50439456
PNG
(CHEMBL2420778)
Show SMILES Oc1ccc(cc1)N1CCN(Cc2cccs2)CC1
Show InChI InChI=1S/C15H18N2OS/c18-14-5-3-13(4-6-14)17-9-7-16(8-10-17)12-15-2-1-11-19-15/h1-6,11,18H,7-10,12H2
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2.17E+3n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor


Bioorg Med Chem Lett 23: 5077-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.033
BindingDB Entry DOI: 10.7270/Q2RN399W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50439443
PNG
(CHEMBL2420771)
Show SMILES Clc1ccccc1N1CCN(Cc2cccs2)CC1
Show InChI InChI=1S/C15H17ClN2S/c16-14-5-1-2-6-15(14)18-9-7-17(8-10-18)12-13-4-3-11-19-13/h1-6,11H,7-10,12H2
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2.18E+3n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor


Bioorg Med Chem Lett 23: 5077-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.033
BindingDB Entry DOI: 10.7270/Q2RN399W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50102712
PNG
(2-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-pyraz...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cc3ccccn3n2)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-4-6-17(7-5-15)22-11-9-21(10-12-22)14-16-13-18-3-1-2-8-23(18)20-16/h1-8,13H,9-12,14H2
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3.20E+3n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor


Bioorg Med Chem Lett 23: 5077-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.033
BindingDB Entry DOI: 10.7270/Q2RN399W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50439445
PNG
(CHEMBL2420769)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cccs1
Show InChI InChI=1S/C15H18N2S/c1-2-5-14(6-3-1)17-10-8-16(9-11-17)13-15-7-4-12-18-15/h1-7,12H,8-11,13H2
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>1.00E+4n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor


Bioorg Med Chem Lett 23: 5077-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.033
BindingDB Entry DOI: 10.7270/Q2RN399W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50439458
PNG
(CHEMBL2420776)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cccs2)CC1
Show InChI InChI=1S/C15H17ClN2S/c16-13-3-5-14(6-4-13)18-9-7-17(8-10-18)12-15-2-1-11-19-15/h1-6,11H,7-10,12H2
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>1.00E+4n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor


Bioorg Med Chem Lett 23: 5077-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.033
BindingDB Entry DOI: 10.7270/Q2RN399W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50439459
PNG
(CHEMBL2420775)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2cccs2)CC1
Show InChI InChI=1S/C15H17FN2S/c16-13-3-5-14(6-4-13)18-9-7-17(8-10-18)12-15-2-1-11-19-15/h1-6,11H,7-10,12H2
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>1.00E+4n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor


Bioorg Med Chem Lett 23: 5077-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.033
BindingDB Entry DOI: 10.7270/Q2RN399W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50439460
PNG
(CHEMBL2420774)
Show SMILES Oc1ccccc1N1CCN(Cc2cccs2)CC1
Show InChI InChI=1S/C15H18N2OS/c18-15-6-2-1-5-14(15)17-9-7-16(8-10-17)12-13-4-3-11-19-13/h1-6,11,18H,7-10,12H2
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>1.00E+4n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor


Bioorg Med Chem Lett 23: 5077-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.033
BindingDB Entry DOI: 10.7270/Q2RN399W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50439444
PNG
(CHEMBL2420770)
Show SMILES Fc1ccccc1N1CCN(Cc2cccs2)CC1
Show InChI InChI=1S/C15H17FN2S/c16-14-5-1-2-6-15(14)18-9-7-17(8-10-18)12-13-4-3-11-19-13/h1-6,11H,7-10,12H2
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>1.00E+4n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor


Bioorg Med Chem Lett 23: 5077-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.033
BindingDB Entry DOI: 10.7270/Q2RN399W
More data for this
Ligand-Target Pair