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Compile Data Set for Download or QSAR

Found 2763 hits with Last Name = 'hall' and Initial = 'd'   
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
Histamine H3 receptor


(Macaca mulatta (Rhesus macaque))
BDBM108297
PNG
(US8604046, 77)
Show SMILES C[C@H]1CCCN1C1CCN(CC1)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C29H44N4O3/c1-22-6-5-16-32(22)25-11-17-30(18-12-25)23-7-9-24(10-8-23)33-21-15-29(26(33)34)13-19-31(20-14-29)27(35)36-28(2,3)4/h7-10,22,25H,5-6,11-21H2,1-4H3/t22-/m0/s1
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0.00800n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...


US Patent US8604046 (2013)


BindingDB Entry DOI: 10.7270/Q2W957TB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Macaca mulatta (Rhesus macaque))
BDBM108281
PNG
(US8604046, 61)
Show SMILES CC(C)(C)OC(=O)N1CCC2(CCCN(C2=O)c2ccc(cc2F)N2CC[C@@H](C2)N2CCCC2)CC1
Show InChI InChI=1S/C28H41FN4O3/c1-27(2,3)36-26(35)31-17-11-28(12-18-31)10-6-15-33(25(28)34)24-8-7-21(19-23(24)29)32-16-9-22(20-32)30-13-4-5-14-30/h7-8,19,22H,4-6,9-18,20H2,1-3H3/t22-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...


US Patent US8604046 (2013)


BindingDB Entry DOI: 10.7270/Q2W957TB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Macaca mulatta (Rhesus macaque))
BDBM108315
PNG
(US8604046, 95)
Show SMILES C[C@H]1CCCN1C1CCN(CC1)c1ccc(N2CCC3(CCN(CC4CC4)CC3)C2=O)c(F)c1
Show InChI InChI=1S/C28H41FN4O/c1-21-3-2-13-32(21)23-8-14-31(15-9-23)24-6-7-26(25(29)19-24)33-18-12-28(27(33)34)10-16-30(17-11-28)20-22-4-5-22/h6-7,19,21-23H,2-5,8-18,20H2,1H3/t21-/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...


US Patent US8604046 (2013)


BindingDB Entry DOI: 10.7270/Q2W957TB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Macaca mulatta (Rhesus macaque))
BDBM108294
PNG
(US8604046, 74)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(cc1)N1CCCC2(CCN(CC2)C2CCOCC2)C1=O
Show InChI InChI=1S/C29H44N4O2/c1-23-4-2-15-32(23)27-9-17-31(22-27)24-5-7-26(8-6-24)33-16-3-12-29(28(33)34)13-18-30(19-14-29)25-10-20-35-21-11-25/h5-8,23,25,27H,2-4,9-22H2,1H3/t23-,27-/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...


US Patent US8604046 (2013)


BindingDB Entry DOI: 10.7270/Q2W957TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50099273
PNG
(6-Fluoro-3-(4-fluoro-piperidin-3-yl)-2-phenyl-1H-i...)
Show SMILES F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1ccccc1
Show InChI InChI=1S/C19H18F2N2/c20-13-6-7-14-17(10-13)23-19(12-4-2-1-3-5-12)18(14)15-11-22-9-8-16(15)21/h1-7,10,15-16,22-23H,8-9,11H2/t15?,16-/m1/s1
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0.0600n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-ketanserin binding to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 44: 1603-14 (2001)


Article DOI: 10.1021/jm0004998
BindingDB Entry DOI: 10.7270/Q27M076K
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Macaca mulatta (Rhesus macaque))
BDBM108295
PNG
(US8604046, 75)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(N2CCCC3(CCN(Cc4ccccc4)CC3)C2=O)c(F)c1
Show InChI InChI=1S/C31H41FN4O/c1-24-7-5-16-35(24)27-12-18-34(23-27)26-10-11-29(28(32)21-26)36-17-6-13-31(30(36)37)14-19-33(20-15-31)22-25-8-3-2-4-9-25/h2-4,8-11,21,24,27H,5-7,12-20,22-23H2,1H3/t24-,27-/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...


US Patent US8604046 (2013)


BindingDB Entry DOI: 10.7270/Q2W957TB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Macaca mulatta (Rhesus macaque))
BDBM108284
PNG
(US8604046, 64)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(N2CCCC3(CCNCC3)C2=O)c(F)c1
Show InChI InChI=1S/C24H35FN4O/c1-18-4-2-13-28(18)20-7-15-27(17-20)19-5-6-22(21(25)16-19)29-14-3-8-24(23(29)30)9-11-26-12-10-24/h5-6,16,18,20,26H,2-4,7-15,17H2,1H3/t18-,20-/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...


US Patent US8604046 (2013)


BindingDB Entry DOI: 10.7270/Q2W957TB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Macaca mulatta (Rhesus macaque))
BDBM108282
PNG
(US8604046, 62)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(N2CCCC3(CCNCC3)C2=O)c(C)c1
Show InChI InChI=1S/C25H38N4O/c1-19-17-21(27-16-8-22(18-27)28-14-3-5-20(28)2)6-7-23(19)29-15-4-9-25(24(29)30)10-12-26-13-11-25/h6-7,17,20,22,26H,3-5,8-16,18H2,1-2H3/t20-,22-/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...


US Patent US8604046 (2013)


BindingDB Entry DOI: 10.7270/Q2W957TB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Macaca mulatta (Rhesus macaque))
BDBM108310
PNG
(US8604046, 90)
Show SMILES C[C@H]1CCCN1C1CCN(CC1)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)c2ccc(F)cc2)C1=O
Show InChI InChI=1S/C31H39FN4O2/c1-23-3-2-17-35(23)28-12-18-33(19-13-28)26-8-10-27(11-9-26)36-22-16-31(30(36)38)14-20-34(21-15-31)29(37)24-4-6-25(32)7-5-24/h4-11,23,28H,2-3,12-22H2,1H3/t23-/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...


US Patent US8604046 (2013)


BindingDB Entry DOI: 10.7270/Q2W957TB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Macaca mulatta (Rhesus macaque))
BDBM108328
PNG
(US8604046, 108)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(N2CCC3(CCNCC3)C2=O)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H33F3N4O/c1-17-3-2-12-30(17)19-6-13-29(16-19)18-4-5-21(20(15-18)24(25,26)27)31-14-9-23(22(31)32)7-10-28-11-8-23/h4-5,15,17,19,28H,2-3,6-14,16H2,1H3/t17-,19-/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...


US Patent US8604046 (2013)


BindingDB Entry DOI: 10.7270/Q2W957TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50099275
PNG
(6-Fluoro-3-(4-fluoro-piperidin-3-yl)-1H-indole-2-c...)
Show SMILES F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H19F2N3O/c21-12-6-7-14-17(10-12)25-19(18(14)15-11-23-9-8-16(15)22)20(26)24-13-4-2-1-3-5-13/h1-7,10,15-16,23,25H,8-9,11H2,(H,24,26)/t15?,16-/m1/s1
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0.0900n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-ketanserin binding to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 44: 1603-14 (2001)


Article DOI: 10.1021/jm0004998
BindingDB Entry DOI: 10.7270/Q27M076K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50099255
PNG
(6-Fluoro-2-(4-fluoro-phenyl)-3-piperidin-3-yl-1H-i...)
Show SMILES Fc1ccc(cc1)-c1[nH]c2cc(F)ccc2c1C1CCCNC1
Show InChI InChI=1S/C19H18F2N2/c20-14-5-3-12(4-6-14)19-18(13-2-1-9-22-11-13)16-8-7-15(21)10-17(16)23-19/h3-8,10,13,22-23H,1-2,9,11H2
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0.0900n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-ketanserin binding to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 44: 1603-14 (2001)


Article DOI: 10.1021/jm0004998
BindingDB Entry DOI: 10.7270/Q27M076K
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Macaca mulatta (Rhesus macaque))
BDBM108283
PNG
(US8604046, 63)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(cc1)N1CCCC2(CCNCC2)C1=O
Show InChI InChI=1S/C24H36N4O/c1-19-4-2-15-27(19)22-9-17-26(18-22)20-5-7-21(8-6-20)28-16-3-10-24(23(28)29)11-13-25-14-12-24/h5-8,19,22,25H,2-4,9-18H2,1H3/t19-,22-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...


US Patent US8604046 (2013)


BindingDB Entry DOI: 10.7270/Q2W957TB
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179848
PNG
(2'-fluoro-5'-(7-methyl-8-oxo-7,8-dihydroimidazo[1,...)
Show SMILES Cn1ccn2c(cnc2c1=O)-c1ccc(F)c(c1)-c1ccccc1C#N
Show InChI InChI=1S/C20H13FN4O/c1-24-8-9-25-18(12-23-19(25)20(24)26)13-6-7-17(21)16(10-13)15-5-3-2-4-14(15)11-22/h2-10,12H,1H3
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0.100n/an/an/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from human recombinant GABA-Aalpha5 receptor plus beta3gamma2


Bioorg Med Chem Lett 16: 1582-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.027
BindingDB Entry DOI: 10.7270/Q25B022B
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50185339
PNG
(3-(2,6-difluorophenyl)-5-[4-fluoro-3-(3-fluoropyri...)
Show SMILES Fc1ccc(cc1-c1ncccc1F)-c1cnnc(c1)-c1c(F)cccc1F
Show InChI InChI=1S/C21H11F4N3/c22-15-7-6-12(9-14(15)21-18(25)5-2-8-26-21)13-10-19(28-27-11-13)20-16(23)3-1-4-17(20)24/h1-11H
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0.100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha1 receptor plus beta3gamma2


J Med Chem 49: 2600-10 (2006)


Article DOI: 10.1021/jm051144x
BindingDB Entry DOI: 10.7270/Q29Z94HV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Macaca mulatta (Rhesus macaque))
BDBM108316
PNG
(US8604046, 96)
Show SMILES C[C@H]1CCCN1C1CCN(CC1)c1ccc(N2CCC3(CCN(CC4CCCC4)CC3)C2=O)c(F)c1
Show InChI InChI=1S/C30H45FN4O/c1-23-5-4-15-34(23)25-10-16-33(17-11-25)26-8-9-28(27(31)21-26)35-20-14-30(29(35)36)12-18-32(19-13-30)22-24-6-2-3-7-24/h8-9,21,23-25H,2-7,10-20,22H2,1H3/t23-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...


US Patent US8604046 (2013)


BindingDB Entry DOI: 10.7270/Q2W957TB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Macaca mulatta (Rhesus macaque))
BDBM108296
PNG
(US8604046, 76)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(N2CCCC3(CCN(Cc4ccco4)CC3)C2=O)c(F)c1
Show InChI InChI=1S/C29H39FN4O2/c1-22-5-2-13-33(22)24-9-15-32(20-24)23-7-8-27(26(30)19-23)34-14-4-10-29(28(34)35)11-16-31(17-12-29)21-25-6-3-18-36-25/h3,6-8,18-19,22,24H,2,4-5,9-17,20-21H2,1H3/t22-,24-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...


US Patent US8604046 (2013)


BindingDB Entry DOI: 10.7270/Q2W957TB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50317007
PNG
(2-amino-4-(furan-2-yl)-5H-indeno[1,2-d]pyrimidin-5...)
Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccco1
Show InChI InChI=1S/C15H9N3O2/c16-15-17-12-8-4-1-2-5-9(8)14(19)11(12)13(18-15)10-6-3-7-20-10/h1-7H,(H2,16,17,18)
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0.100n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50161342
PNG
(2-Amino-4-phenyl-indeno[1,2-d]pyrimidin-5-one | 2-...)
Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C17H11N3O/c18-17-19-14(10-6-2-1-3-7-10)13-15(20-17)11-8-4-5-9-12(11)16(13)21/h1-9H,(H2,18,19,20)
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0.100n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50180003
PNG
(4,2-difluoro-5-[7-(1-hydroxy-1-methylethyl)imidazo...)
Show SMILES CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccc(F)cc1C#N
Show InChI InChI=1S/C22H16F2N4O/c1-22(2,29)20-7-8-28-19(12-26-21(28)27-20)13-3-6-18(24)17(10-13)16-5-4-15(23)9-14(16)11-25/h3-10,12,29H,1-2H3
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0.100n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro-151788 from human recombinant GABAA alpha5 in combination with beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 35-8 (2006)


Article DOI: 10.1021/jm051065l
BindingDB Entry DOI: 10.7270/Q21R6RBC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Macaca mulatta (Rhesus macaque))
BDBM108305
PNG
(US8604046, 85)
Show SMILES C[C@H]1CCCN1C1CCN(CC1)c1ccc(N2CCC3(CCNCC3)C2=O)c(F)c1
Show InChI InChI=1S/C24H35FN4O/c1-18-3-2-13-28(18)19-6-14-27(15-7-19)20-4-5-22(21(25)17-20)29-16-10-24(23(29)30)8-11-26-12-9-24/h4-5,17-19,26H,2-3,6-16H2,1H3/t18-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...


US Patent US8604046 (2013)


BindingDB Entry DOI: 10.7270/Q2W957TB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Macaca mulatta (Rhesus macaque))
BDBM108303
PNG
(US8604046, 83)
Show SMILES C[C@H]1CCCN1C1CCN(CC1)c1ccc(cc1)N1CCC2(CCNCC2)C1=O
Show InChI InChI=1S/C24H36N4O/c1-19-3-2-15-27(19)22-8-16-26(17-9-22)20-4-6-21(7-5-20)28-18-12-24(23(28)29)10-13-25-14-11-24/h4-7,19,22,25H,2-3,8-18H2,1H3/t19-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...


US Patent US8604046 (2013)


BindingDB Entry DOI: 10.7270/Q2W957TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50099259
PNG
(6-Fluoro-3-(4-fluoro-piperidin-3-yl)-2-thiophen-3-...)
Show SMILES F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1ccsc1
Show InChI InChI=1S/C17H16F2N2S/c18-11-1-2-12-15(7-11)21-17(10-4-6-22-9-10)16(12)13-8-20-5-3-14(13)19/h1-2,4,6-7,9,13-14,20-21H,3,5,8H2/t13?,14-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-ketanserin binding to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 44: 1603-14 (2001)


Article DOI: 10.1021/jm0004998
BindingDB Entry DOI: 10.7270/Q27M076K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50099269
PNG
(6-Fluoro-2-(4-fluoro-phenyl)-3-(4-fluoro-piperidin...)
Show SMILES F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C19H17F3N2/c20-12-3-1-11(2-4-12)19-18(15-10-23-8-7-16(15)22)14-6-5-13(21)9-17(14)24-19/h1-6,9,15-16,23-24H,7-8,10H2/t15?,16-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-ketanserin binding to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 44: 1603-14 (2001)


Article DOI: 10.1021/jm0004998
BindingDB Entry DOI: 10.7270/Q27M076K
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179995
PNG
(3'-(7-methyl-imidazo[1,2-a]pyrimidin-3-yl)-bipheny...)
Show SMILES Cc1ccn2c(cnc2n1)-c1cccc(c1)-c1ccccc1C#N
Show InChI InChI=1S/C20H14N4/c1-14-9-10-24-19(13-22-20(24)23-14)16-7-4-6-15(11-16)18-8-3-2-5-17(18)12-21/h2-11,13H,1H3
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0.120n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro-151788 from human recombinant GABAA alpha5 in combination with beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 35-8 (2006)


Article DOI: 10.1021/jm051065l
BindingDB Entry DOI: 10.7270/Q21R6RBC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179924
PNG
(4-(2-fluoro-5-(7-(2-hydroxypropan-2-yl)imidazo[1,2...)
Show SMILES CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccncc1C#N
Show InChI InChI=1S/C21H16FN5O/c1-21(2,28)19-6-8-27-18(12-25-20(27)26-19)13-3-4-17(22)16(9-13)15-5-7-24-11-14(15)10-23/h3-9,11-12,28H,1-2H3
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0.140n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha5 receptor plus beta3gamma2 expressed in L(tk-) cells


Bioorg Med Chem Lett 16: 1477-80 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.044
BindingDB Entry DOI: 10.7270/Q2NC60SW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Macaca mulatta (Rhesus macaque))
BDBM108304
PNG
(US8604046, 84)
Show SMILES C[C@H]1CCCN1C1CCN(CC1)c1ccc(N2CCC3(CCNCC3)C2=O)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H35F3N4O/c1-18-3-2-13-31(18)19-6-14-30(15-7-19)20-4-5-22(21(17-20)25(26,27)28)32-16-10-24(23(32)33)8-11-29-12-9-24/h4-5,17-19,29H,2-3,6-16H2,1H3/t18-/m0/s1
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0.150n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...


US Patent US8604046 (2013)


BindingDB Entry DOI: 10.7270/Q2W957TB
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179853
PNG
(5'-(7-ethyl-8-oxo-7,8-dihydroimidazo[1,2-a]pyrazin...)
Show SMILES CCn1ccn2c(cnc2c1=O)-c1ccc(F)c(c1)-c1ccc(F)cc1C#N
Show InChI InChI=1S/C21H14F2N4O/c1-2-26-7-8-27-19(12-25-20(27)21(26)28)13-3-6-18(23)17(10-13)16-5-4-15(22)9-14(16)11-24/h3-10,12H,2H2,1H3
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0.150n/an/an/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from human recombinant GABA-Aalpha5 receptor plus beta3gamma2


Bioorg Med Chem Lett 16: 1582-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.027
BindingDB Entry DOI: 10.7270/Q25B022B
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50182468
PNG
(4,6,2'-Trifluoro-5'-[3-(1-hydroxy-1-methyl-ethyl)-...)
Show SMILES CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1c(F)cc(F)cc1C#N
Show InChI InChI=1S/C21H14F3N5O/c1-21(2,30)18-10-27-29-17(9-26-20(29)28-18)11-3-4-15(23)14(6-11)19-12(8-25)5-13(22)7-16(19)24/h3-7,9-10,30H,1-2H3
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0.150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from recombinant human GABAA alpha1 receptor plus beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 1235-8 (2006)


Article DOI: 10.1021/jm051200u
BindingDB Entry DOI: 10.7270/Q2H41R04
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Macaca mulatta (Rhesus macaque))
BDBM108317
PNG
(US8604046, 97)
Show SMILES C[C@H]1CCCCN1[C@H]1CCN(C1)c1ccc(N2CCC3(CCN(CC4CCCCC4)CC3)C2=O)c(c1)C(F)(F)F
Show InChI InChI=1S/C32H47F3N4O/c1-24-7-5-6-16-38(24)27-12-17-37(23-27)26-10-11-29(28(21-26)32(33,34)35)39-20-15-31(30(39)40)13-18-36(19-14-31)22-25-8-3-2-4-9-25/h10-11,21,24-25,27H,2-9,12-20,22-23H2,1H3/t24-,27-/m0/s1
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0.150n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...


US Patent US8604046 (2013)


BindingDB Entry DOI: 10.7270/Q2W957TB
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179850
PNG
(2',6-difluoro-5'-(7-methyl-8-oxo-7,8-dihydroimidaz...)
Show SMILES Cn1ccn2c(cnc2c1=O)-c1ccc(F)c(c1)-c1c(F)cccc1C#N
Show InChI InChI=1S/C20H12F2N4O/c1-25-7-8-26-17(11-24-19(26)20(25)27)12-5-6-15(21)14(9-12)18-13(10-23)3-2-4-16(18)22/h2-9,11H,1H3
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0.160n/an/an/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from human recombinant GABA-Aalpha1 receptor plus beta3gamma2


Bioorg Med Chem Lett 16: 1582-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.027
BindingDB Entry DOI: 10.7270/Q25B022B
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179850
PNG
(2',6-difluoro-5'-(7-methyl-8-oxo-7,8-dihydroimidaz...)
Show SMILES Cn1ccn2c(cnc2c1=O)-c1ccc(F)c(c1)-c1c(F)cccc1C#N
Show InChI InChI=1S/C20H12F2N4O/c1-25-7-8-26-17(11-24-19(26)20(25)27)12-5-6-15(21)14(9-12)18-13(10-23)3-2-4-16(18)22/h2-9,11H,1H3
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0.190n/an/an/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from human recombinant GABA-Aalpha5 receptor plus beta3gamma2


Bioorg Med Chem Lett 16: 1582-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.027
BindingDB Entry DOI: 10.7270/Q25B022B
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179929
PNG
(2'-Fluoro-5'-[8-fluoro-7-(1-hydroxy-1-methyl-ethyl...)
Show SMILES CC(C)(O)c1ccn2c(cnc2c1F)-c1ccc(F)c(c1)-c1ccccc1C#N
Show InChI InChI=1S/C23H17F2N3O/c1-23(2,29)18-9-10-28-20(13-27-22(28)21(18)25)14-7-8-19(24)17(11-14)16-6-4-3-5-15(16)12-26/h3-11,13,29H,1-2H3
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0.200n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human GABA-Aalpha1 receptor plus beta3gamma2 expressed in mouse L(tk-) cells


Bioorg Med Chem Lett 16: 1518-22 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.037
BindingDB Entry DOI: 10.7270/Q2HM582K
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Macaca mulatta (Rhesus macaque))
BDBM108292
PNG
(US8604046, 72)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(N2CCCC3(CCN(CC4CCCCC4)CC3)C2=O)c(C)c1
Show InChI InChI=1S/C32H50N4O/c1-25-22-28(34-19-13-29(24-34)35-17-6-8-26(35)2)11-12-30(25)36-18-7-14-32(31(36)37)15-20-33(21-16-32)23-27-9-4-3-5-10-27/h11-12,22,26-27,29H,3-10,13-21,23-24H2,1-2H3/t26-,29-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...


US Patent US8604046 (2013)


BindingDB Entry DOI: 10.7270/Q2W957TB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Macaca mulatta (Rhesus macaque))
BDBM108293
PNG
(US8604046, 73)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(cc1)N1CCCC2(CCN(CC3CC3)CC2)C1=O
Show InChI InChI=1S/C28H42N4O/c1-22-4-2-15-31(22)26-11-17-30(21-26)24-7-9-25(10-8-24)32-16-3-12-28(27(32)33)13-18-29(19-14-28)20-23-5-6-23/h7-10,22-23,26H,2-6,11-21H2,1H3/t22-,26-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...


US Patent US8604046 (2013)


BindingDB Entry DOI: 10.7270/Q2W957TB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50317008
PNG
(2-amino-4-(5-chlorofuran-2-yl)-5H-indeno[1,2-d]pyr...)
Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccc(Cl)o1
Show InChI InChI=1S/C15H8ClN3O2/c16-10-6-5-9(21-10)13-11-12(18-15(17)19-13)7-3-1-2-4-8(7)14(11)20/h1-6H,(H2,17,18,19)
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0.200n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176771
PNG
(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)
Show SMILES CCn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1F
Show InChI InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3
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0.200n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro-151788 from human recombinant GABAA alpha5 in combination with beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 35-8 (2006)


Article DOI: 10.1021/jm051065l
BindingDB Entry DOI: 10.7270/Q21R6RBC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50180004
PNG
(2-fluoro-5-(7-trifluoromethylimidazo[1,2-a]pyrimid...)
Show SMILES Fc1ccc(cc1-c1ccccc1C#N)-c1cnc2nc(ccn12)C(F)(F)F
Show InChI InChI=1S/C20H10F4N4/c21-16-6-5-12(9-15(16)14-4-2-1-3-13(14)10-25)17-11-26-19-27-18(20(22,23)24)7-8-28(17)19/h1-9,11H
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0.200n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro-151788 from human recombinant GABAA alpha5 in combination with beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 35-8 (2006)


Article DOI: 10.1021/jm051065l
BindingDB Entry DOI: 10.7270/Q21R6RBC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Macaca mulatta (Rhesus macaque))
BDBM108311
PNG
(US8604046, 91)
Show SMILES C[C@H]1CCCN1C1CCN(CC1)c1ccc(N2CCC3(CCN(CC3)C(=O)C3CCCCC3)C2=O)c(F)c1
Show InChI InChI=1S/C31H45FN4O2/c1-23-6-5-16-35(23)25-11-17-33(18-12-25)26-9-10-28(27(32)22-26)36-21-15-31(30(36)38)13-19-34(20-14-31)29(37)24-7-3-2-4-8-24/h9-10,22-25H,2-8,11-21H2,1H3/t23-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...


US Patent US8604046 (2013)


BindingDB Entry DOI: 10.7270/Q2W957TB
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50180007
PNG
(3'-(7-trifluoromethyl-imidazo[1,2-a]pyrimidin-3-yl...)
Show SMILES FC(F)(F)c1ccn2c(cnc2n1)-c1cccc(c1)-c1ccccc1C#N
Show InChI InChI=1S/C20H11F3N4/c21-20(22,23)18-8-9-27-17(12-25-19(27)26-18)14-6-3-5-13(10-14)16-7-2-1-4-15(16)11-24/h1-10,12H
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0.210n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro-151788 from human recombinant GABAA alpha5 in combination with beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 35-8 (2006)


Article DOI: 10.1021/jm051065l
BindingDB Entry DOI: 10.7270/Q21R6RBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50099258
PNG
(6-Fluoro-3-(4-fluoro-piperidin-3-yl)-2-naphthalen-...)
Show SMILES F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H20F2N2/c24-17-7-8-18-21(12-17)27-23(22(18)19-13-26-10-9-20(19)25)16-6-5-14-3-1-2-4-15(14)11-16/h1-8,11-12,19-20,26-27H,9-10,13H2/t19?,20-/m1/s1
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0.230n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-ketanserin binding to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 44: 1603-14 (2001)


Article DOI: 10.1021/jm0004998
BindingDB Entry DOI: 10.7270/Q27M076K
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Macaca mulatta (Rhesus macaque))
BDBM108309
PNG
(US8604046, 89)
Show SMILES C[C@H]1CCCN1C1CCN(CC1)c1ccc(cc1)N1CCC2(CCN(CC2)S(=O)(=O)c2ccccc2)C1=O
Show InChI InChI=1S/C30H40N4O3S/c1-24-6-5-18-33(24)27-13-19-31(20-14-27)25-9-11-26(12-10-25)34-23-17-30(29(34)35)15-21-32(22-16-30)38(36,37)28-7-3-2-4-8-28/h2-4,7-12,24,27H,5-6,13-23H2,1H3/t24-/m0/s1
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0.240n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...


US Patent US8604046 (2013)


BindingDB Entry DOI: 10.7270/Q2W957TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50099268
PNG
(2-Cyclohexyl-6-fluoro-3-(4-fluoro-piperidin-3-yl)-...)
Show SMILES F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)C1CCCCC1
Show InChI InChI=1S/C19H24F2N2/c20-13-6-7-14-17(10-13)23-19(12-4-2-1-3-5-12)18(14)15-11-22-9-8-16(15)21/h6-7,10,12,15-16,22-23H,1-5,8-9,11H2/t15?,16-/m1/s1
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0.25n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-ketanserin binding to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 44: 1603-14 (2001)


Article DOI: 10.1021/jm0004998
BindingDB Entry DOI: 10.7270/Q27M076K
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50182464
PNG
(2',4-difluoro-5'-[3-(trifluoromethyl)imidazo[1,2-b...)
Show SMILES Fc1ccc(c(c1)C#N)-c1cc(ccc1F)-c1cnc2nc(cnn12)C(F)(F)F
Show InChI InChI=1S/C19H8F5N5/c20-12-2-3-13(11(5-12)7-25)14-6-10(1-4-15(14)21)16-8-26-18-28-17(19(22,23)24)9-27-29(16)18/h1-6,8-9H
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0.25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from recombinant human GABAA alpha1 receptor plus beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 1235-8 (2006)


Article DOI: 10.1021/jm051200u
BindingDB Entry DOI: 10.7270/Q2H41R04
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176771
PNG
(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)
Show SMILES CCn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1F
Show InChI InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3
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0.260n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro15-1788 from human recombinant GABAA alpha1 in combination with beta-3-gamma-2 expressed in L(tk-) cells


J Med Chem 49: 35-8 (2006)


Article DOI: 10.1021/jm051065l
BindingDB Entry DOI: 10.7270/Q21R6RBC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50180002
PNG
(5,2-difluoro-5-(7-trifluoromethylimidazo[1,2-a]pyr...)
Show SMILES Fc1ccc(C#N)c(c1)-c1cc(ccc1F)-c1cnc2nc(ccn12)C(F)(F)F
Show InChI InChI=1S/C20H9F5N4/c21-13-3-1-12(9-26)14(8-13)15-7-11(2-4-16(15)22)17-10-27-19-28-18(20(23,24)25)5-6-29(17)19/h1-8,10H
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0.260n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro-151788 from human recombinant GABAA alpha5 in combination with beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 35-8 (2006)


Article DOI: 10.1021/jm051065l
BindingDB Entry DOI: 10.7270/Q21R6RBC
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179924
PNG
(4-(2-fluoro-5-(7-(2-hydroxypropan-2-yl)imidazo[1,2...)
Show SMILES CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccncc1C#N
Show InChI InChI=1S/C21H16FN5O/c1-21(2,28)19-6-8-27-18(12-25-20(27)26-19)13-3-4-17(22)16(9-13)15-5-7-24-11-14(15)10-23/h3-9,11-12,28H,1-2H3
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0.280n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha3 receptor plus beta3gamma2 expressed in L(tk-) cells


Bioorg Med Chem Lett 16: 1477-80 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.044
BindingDB Entry DOI: 10.7270/Q2NC60SW
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179853
PNG
(5'-(7-ethyl-8-oxo-7,8-dihydroimidazo[1,2-a]pyrazin...)
Show SMILES CCn1ccn2c(cnc2c1=O)-c1ccc(F)c(c1)-c1ccc(F)cc1C#N
Show InChI InChI=1S/C21H14F2N4O/c1-2-26-7-8-27-19(12-25-20(27)21(26)28)13-3-6-18(23)17(10-13)16-5-4-15(22)9-14(16)11-24/h3-10,12H,2H2,1H3
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0.280n/an/an/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from human recombinant GABA-Aalpha1 receptor plus beta3gamma2


Bioorg Med Chem Lett 16: 1582-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.027
BindingDB Entry DOI: 10.7270/Q25B022B
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50185339
PNG
(3-(2,6-difluorophenyl)-5-[4-fluoro-3-(3-fluoropyri...)
Show SMILES Fc1ccc(cc1-c1ncccc1F)-c1cnnc(c1)-c1c(F)cccc1F
Show InChI InChI=1S/C21H11F4N3/c22-15-7-6-12(9-14(15)21-18(25)5-2-8-26-21)13-10-19(28-27-11-13)20-16(23)3-1-4-17(20)24/h1-11H
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0.300n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha5 receptor plus beta3gamma2


J Med Chem 49: 2600-10 (2006)


Article DOI: 10.1021/jm051144x
BindingDB Entry DOI: 10.7270/Q29Z94HV
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176771
PNG
(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)
Show SMILES CCn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1F
Show InChI InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3
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0.300n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro15-1788 from human recombinant GABAA alpha2 in combination with beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 35-8 (2006)


Article DOI: 10.1021/jm051065l
BindingDB Entry DOI: 10.7270/Q21R6RBC
More data for this
Ligand-Target Pair
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