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Compile Data Set for Download or QSAR

Found 986 hits with Last Name = 'bonanomi' and Initial = 'g'   
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
Transporter


(Rattus norvegicus (rat))
BDBM50308250
PNG
((1R,5R,6R)-1-(3,4-dichlorophenyl)-6-(ethoxymethyl)...)
Show SMILES CCOC[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2NO/c1-2-18-7-11-10-6-17-8-14(10,11)9-3-4-12(15)13(16)5-9/h3-5,10-11,17H,2,6-8H2,1H3/t10-,11-,14+/m1/s1
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0.135n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]nisoxetine from rat hippocampus NET by filtration binding assay


J Med Chem 53: 2534-51 (2010)


Article DOI: 10.1021/jm901818u
BindingDB Entry DOI: 10.7270/Q2ST7PX2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002630
PNG
(CHEMBL377174)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(C)cc1 |c:21|
Show InChI InChI=1S/C25H30N2O3/c1-19-6-8-20(9-7-19)22-12-15-27(25(22)28)21-10-11-23(29-2)24(18-21)30-17-16-26-13-4-3-5-14-26/h6-12,18H,3-5,13-17H2,1-2H3
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0.320n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50312271
PNG
((1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxazol-5-y...)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r|
Show InChI InChI=1S/C22H24F3N5OS/c1-14-18(31-13-26-14)19-27-28-20(29(19)2)32-9-3-8-30-11-17-10-21(17,12-30)15-4-6-16(7-5-15)22(23,24)25/h4-7,13,17H,3,8-12H2,1-2H3/t17-,21+/m0/s1
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0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at dopamine D3 receptor by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 5491-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.073
BindingDB Entry DOI: 10.7270/Q2R78GFH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002642
PNG
(CHEMBL213987)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:21|
Show InChI InChI=1S/C24H26Cl2N2O3/c1-30-22-8-6-18(16-23(22)31-14-13-27-10-3-2-4-11-27)28-12-9-19(24(28)29)17-5-7-20(25)21(26)15-17/h5-9,15-16H,2-4,10-14H2,1H3
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0.790n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002616
PNG
(CHEMBL213839)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1cccc(F)c1 |c:21|
Show InChI InChI=1S/C24H27FN2O3/c1-29-22-9-8-20(17-23(22)30-15-14-26-11-3-2-4-12-26)27-13-10-21(24(27)28)18-6-5-7-19(25)16-18/h5-10,16-17H,2-4,11-15H2,1H3
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0.790n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50331549
PNG
(CHEMBL567286 | [11C]-3-(2-oxo-3-(2-(4-(trifluorome...)
Show SMILES FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(c2)C#N)CC1
Show InChI InChI=1S/C18H21F3N4O/c19-18(20,21)15-4-6-23(7-5-15)8-9-24-10-11-25(17(24)26)16-3-1-2-14(12-16)13-22/h1-3,12,15H,4-11H2
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor in rat native tissue by filtration binding assay


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411716
PNG
(CHEMBL429132)
Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)C(C)(C)C)n1C
Show InChI InChI=1S/C31H36N6OS/c1-20-10-11-23-24(8-6-9-25(23)32-20)28-34-35-30(36(28)5)39-17-7-14-37-15-12-21-18-26-27(19-22(21)13-16-37)38-29(33-26)31(2,3)4/h6,8-11,18-19H,7,12-17H2,1-5H3
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50331549
PNG
(CHEMBL567286 | [11C]-3-(2-oxo-3-(2-(4-(trifluorome...)
Show SMILES FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(c2)C#N)CC1
Show InChI InChI=1S/C18H21F3N4O/c19-18(20,21)15-4-6-23(7-5-15)8-9-24-10-11-25(17(24)26)16-3-1-2-14(12-16)13-22/h1-3,12,15H,4-11H2
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D3 receptor by filtration binding assay


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
SLC6A4


(MOUSE)
BDBM50308250
PNG
((1R,5R,6R)-1-(3,4-dichlorophenyl)-6-(ethoxymethyl)...)
Show SMILES CCOC[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2NO/c1-2-18-7-11-10-6-17-8-14(10,11)9-3-4-12(15)13(16)5-9/h3-5,10-11,17H,2,6-8H2,1H3/t10-,11-,14+/m1/s1
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0.851n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from mouse cortex SERT by filtration binding assay


J Med Chem 53: 2534-51 (2010)


Article DOI: 10.1021/jm901818u
BindingDB Entry DOI: 10.7270/Q2ST7PX2
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50331549
PNG
(CHEMBL567286 | [11C]-3-(2-oxo-3-(2-(4-(trifluorome...)
Show SMILES FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(c2)C#N)CC1
Show InChI InChI=1S/C18H21F3N4O/c19-18(20,21)15-4-6-23(7-5-15)8-9-24-10-11-25(17(24)26)16-3-1-2-14(12-16)13-22/h1-3,12,15H,4-11H2
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411713
PNG
(CHEMBL255620)
Show SMILES CN(C)c1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2o1
Show InChI InChI=1S/C29H33N7OS/c1-19-9-10-22-23(7-5-8-24(22)30-19)27-32-33-29(35(27)4)38-16-6-13-36-14-11-20-17-25-26(18-21(20)12-15-36)37-28(31-25)34(2)3/h5,7-10,17-18H,6,11-16H2,1-4H3
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414436
PNG
(CHEMBL560574)
Show SMILES FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(I)c2)CC1
Show InChI InChI=1S/C17H21F3IN3O/c18-17(19,20)13-4-6-22(7-5-13)8-9-23-10-11-24(16(23)25)15-3-1-2-14(21)12-15/h1-3,12-13H,4-11H2
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50416717
PNG
(CHEMBL1224699)
Show SMILES COc1cc(ccc1NS(=O)(=O)c1ccc(cc1)C(C)C)[C@@]12C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C21H26N2O3S/c1-14(2)15-4-7-18(8-5-15)27(24,25)23-19-9-6-16(10-20(19)26-3)21-11-17(21)12-22-13-21/h4-10,14,17,22-23H,11-13H2,1-3H3/t17-,21+/m1/s1
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1.26n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at dopamine D3 receptor by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 5491-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.073
BindingDB Entry DOI: 10.7270/Q2R78GFH
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414435
PNG
(CHEMBL569846)
Show SMILES Oc1cccc(c1)N1CCN(CCN2CCC(CC2)C(F)(F)F)C1=O
Show InChI InChI=1S/C17H22F3N3O2/c18-17(19,20)13-4-6-21(7-5-13)8-9-22-10-11-23(16(22)25)14-2-1-3-15(24)12-14/h1-3,12-13,24H,4-11H2
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1.26n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414406
PNG
(CHEMBL561512)
Show SMILES Clc1cc(Cl)cc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Show InChI InChI=1S/C19H19Cl2N3O/c20-16-9-17(21)11-18(10-16)24-8-7-23(19(24)25)6-5-22-12-14-3-1-2-4-15(14)13-22/h1-4,9-11H,5-8,12-13H2
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1.26n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002678
PNG
(CHEMBL210053)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Br)cc1 |c:21|
Show InChI InChI=1S/C24H27BrN2O3/c1-29-22-10-9-20(17-23(22)30-16-15-26-12-3-2-4-13-26)27-14-11-21(24(27)28)18-5-7-19(25)8-6-18/h5-11,17H,2-4,12-16H2,1H3
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414437
PNG
(CHEMBL562624)
Show SMILES FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C17H21ClF3N3O/c18-14-2-1-3-15(12-14)24-11-10-23(16(24)25)9-8-22-6-4-13(5-7-22)17(19,20)21/h1-3,12-13H,4-11H2
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1.58n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411678
PNG
(CHEMBL273199)
Show SMILES Cc1cc(-c2ccc3CCN(CCCSc4nnc(-c5cccc6cnc(C)cc56)n4C)CCc3c2)n(C)n1
Show InChI InChI=1S/C31H35N7S/c1-21-17-28-26(20-32-21)7-5-8-27(28)30-33-34-31(36(30)3)39-16-6-13-38-14-11-23-9-10-25(19-24(23)12-15-38)29-18-22(2)35-37(29)4/h5,7-10,17-20H,6,11-16H2,1-4H3
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1.58n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
Norepinephrine transporter


(MOUSE)
BDBM50322698
PNG
(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1
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1.58n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in mouse brain


J Med Chem 53: 4989-5001 (2010)


Article DOI: 10.1021/jm100481d
BindingDB Entry DOI: 10.7270/Q20V8DR3
More data for this
Ligand-Target Pair
SLC6A4


(MOUSE)
BDBM50322698
PNG
(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1
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1.58n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from SERT in mouse cortex after 2 hrs by liquid scintillation counting


J Med Chem 53: 4989-5001 (2010)


Article DOI: 10.1021/jm100481d
BindingDB Entry DOI: 10.7270/Q20V8DR3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414409
PNG
(CHEMBL565017)
Show SMILES FC(F)(F)Oc1cccc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Show InChI InChI=1S/C20H20F3N3O2/c21-20(22,23)28-18-7-3-6-17(12-18)26-11-10-25(19(26)27)9-8-24-13-15-4-1-2-5-16(15)14-24/h1-7,12H,8-11,13-14H2
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1.58n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414413
PNG
(CHEMBL556272)
Show SMILES Fc1cc(Cl)cc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Show InChI InChI=1S/C19H19ClFN3O/c20-16-9-17(21)11-18(10-16)24-8-7-23(19(24)25)6-5-22-12-14-3-1-2-4-15(14)13-22/h1-4,9-11H,5-8,12-13H2
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1.58n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002663
PNG
(CHEMBL386332)
Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(C)cc1 |c:22|
Show InChI InChI=1S/C26H32N2O3/c1-19-4-6-21(7-5-19)23-12-15-28(26(23)29)22-8-9-24(30-3)25(18-22)31-17-16-27-13-10-20(2)11-14-27/h4-9,12,18,20H,10-11,13-17H2,1-3H3
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1.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002664
PNG
(CHEMBL212270)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1cccc(Cl)c1 |c:21|
Show InChI InChI=1S/C24H27ClN2O3/c1-29-22-9-8-20(17-23(22)30-15-14-26-11-3-2-4-12-26)27-13-10-21(24(27)28)18-6-5-7-19(25)16-18/h5-10,16-17H,2-4,11-15H2,1H3
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414434
PNG
(CHEMBL551914)
Show SMILES CC1CCN(CCN2CCN(C2=O)c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C17H24ClN3O/c1-14-5-7-19(8-6-14)9-10-20-11-12-21(17(20)22)16-4-2-3-15(18)13-16/h2-4,13-14H,5-12H2,1H3
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411669
PNG
(CHEMBL271631)
Show SMILES CCc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2s1
Show InChI InChI=1S/C29H32N6S2/c1-4-27-31-25-17-20-11-14-35(15-12-21(20)18-26(25)37-27)13-6-16-36-29-33-32-28(34(29)3)23-7-5-8-24-22(23)10-9-19(2)30-24/h5,7-10,17-18H,4,6,11-16H2,1-3H3
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414412
PNG
(CHEMBL559856)
Show SMILES O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(c1)C#N
Show InChI InChI=1S/C20H20N4O/c21-13-16-4-3-7-19(12-16)24-11-10-23(20(24)25)9-8-22-14-17-5-1-2-6-18(17)15-22/h1-7,12H,8-11,14-15H2
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411672
PNG
(CHEMBL256477)
Show SMILES CCc1nn(C)c2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc12
Show InChI InChI=1S/C30H35N7S/c1-5-26-25-18-21-12-15-37(16-13-22(21)19-28(25)36(4)34-26)14-7-17-38-30-33-32-29(35(30)3)24-8-6-9-27-23(24)11-10-20(2)31-27/h6,8-11,18-19H,5,7,12-17H2,1-4H3
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50322698
PNG
(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat hippocampus after 2 hrs by liquid scintillation counting


J Med Chem 53: 4989-5001 (2010)


Article DOI: 10.1021/jm100481d
BindingDB Entry DOI: 10.7270/Q20V8DR3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414404
PNG
(CHEMBL559029)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Show InChI InChI=1S/C20H20F3N3O/c21-20(22,23)17-6-3-7-18(12-17)26-11-10-25(19(26)27)9-8-24-13-15-4-1-2-5-16(15)14-24/h1-7,12H,8-11,13-14H2
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414403
PNG
(CHEMBL560177)
Show SMILES Clc1cccc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Show InChI InChI=1S/C19H20ClN3O/c20-17-6-3-7-18(12-17)23-11-10-22(19(23)24)9-8-21-13-15-4-1-2-5-16(15)14-21/h1-7,12H,8-11,13-14H2
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50416716
PNG
(CHEMBL1224698)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CN(CC=C)C2 |r|
Show InChI InChI=1S/C23H28N2O2S/c1-4-13-25-15-20-14-23(20,16-25)19-7-9-21(10-8-19)24-28(26,27)22-11-5-18(6-12-22)17(2)3/h4-12,17,20,24H,1,13-16H2,2-3H3/t20-,23+/m1/s1
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at dopamine D3 receptor by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 5491-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.073
BindingDB Entry DOI: 10.7270/Q2R78GFH
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50416713
PNG
(CHEMBL1224638)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C20H24N2O2S/c1-14(2)15-3-9-19(10-4-15)25(23,24)22-18-7-5-16(6-8-18)20-11-17(20)12-21-13-20/h3-10,14,17,21-22H,11-13H2,1-2H3/t17-,20+/m1/s1
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at dopamine D3 receptor by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 5491-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.073
BindingDB Entry DOI: 10.7270/Q2R78GFH
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411702
PNG
(CHEMBL256015)
Show SMILES CC(C)c1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2o1
Show InChI InChI=1S/C30H34N6OS/c1-19(2)29-32-26-17-21-11-14-36(15-12-22(21)18-27(26)37-29)13-6-16-38-30-34-33-28(35(30)4)24-7-5-8-25-23(24)10-9-20(3)31-25/h5,7-10,17-19H,6,11-16H2,1-4H3
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3.16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414443
PNG
(CHEMBL549894)
Show SMILES CC(C)N1CCN(CCN2CCN(C2=O)c2cccc(OC(F)(F)F)c2)CC1
Show InChI InChI=1S/C19H27F3N4O2/c1-15(2)24-9-6-23(7-10-24)8-11-25-12-13-26(18(25)27)16-4-3-5-17(14-16)28-19(20,21)22/h3-5,14-15H,6-13H2,1-2H3
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3.16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411712
PNG
(CHEMBL271083)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)C(F)(F)C(F)(F)F)n1C
Show InChI InChI=1S/C23H23F5N6O2S/c1-13-18(35-12-29-13)19-31-32-21(33(19)2)37-9-3-6-34-7-4-14-10-16-17(11-15(14)5-8-34)36-20(30-16)22(24,25)23(26,27)28/h10-12H,3-9H2,1-2H3
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3.16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002668
PNG
(CHEMBL215864)
Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(F)cc1 |c:22|
Show InChI InChI=1S/C25H29FN2O3/c1-18-9-12-27(13-10-18)15-16-31-24-17-21(7-8-23(24)30-2)28-14-11-22(25(28)29)19-3-5-20(26)6-4-19/h3-8,11,17-18H,9-10,12-16H2,1-2H3
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3.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002689
PNG
(CHEMBL209573)
Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:22|
Show InChI InChI=1S/C25H28Cl2N2O3/c1-17-7-10-28(11-8-17)13-14-32-24-16-19(4-6-23(24)31-2)29-12-9-20(25(29)30)18-3-5-21(26)22(27)15-18/h3-6,9,15-17H,7-8,10-14H2,1-2H3
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3.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411668
PNG
(CHEMBL255567)
Show SMILES CCc1nc2cc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3cc2s1
Show InChI InChI=1S/C23H28N6OS2/c1-4-20-25-18-12-16-6-9-29(10-7-17(16)13-19(18)32-20)8-5-11-31-23-27-26-22(28(23)3)21-15(2)24-14-30-21/h12-14H,4-11H2,1-3H3
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3.98n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411703
PNG
(CHEMBL402826)
Show SMILES CCCc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2o1
Show InChI InChI=1S/C30H34N6OS/c1-4-7-28-32-26-18-21-12-15-36(16-13-22(21)19-27(26)37-28)14-6-17-38-30-34-33-29(35(30)3)24-8-5-9-25-23(24)11-10-20(2)31-25/h5,8-11,18-19H,4,6-7,12-17H2,1-3H3
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3.98n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414442
PNG
(CHEMBL571456)
Show SMILES CC(C)N1CCN(CCN2CCN(C2=O)c2cccc(c2)C#N)CC1
Show InChI InChI=1S/C19H27N5O/c1-16(2)22-9-6-21(7-10-22)8-11-23-12-13-24(19(23)25)18-5-3-4-17(14-18)15-20/h3-5,14,16H,6-13H2,1-2H3
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3.98n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry


Bioorg Med Chem Lett 19: 4011-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.028
BindingDB Entry DOI: 10.7270/Q2J67J55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50416713
PNG
(CHEMBL1224638)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C20H24N2O2S/c1-14(2)15-3-9-19(10-4-15)25(23,24)22-18-7-5-16(6-8-18)20-11-17(20)12-21-13-20/h3-10,14,17,21-22H,11-13H2,1-2H3/t17-,20+/m1/s1
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3.98n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at dopamine D3 receptor by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 5491-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.073
BindingDB Entry DOI: 10.7270/Q2R78GFH
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50370572
PNG
(CHEMBL85606 | SB-277011)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCc3cc(ccc3C2)C#N)CC1)c1ccnc2ccccc12 |r,wU:3.2,wD:6.6,(-5.17,2.38,;-5.16,.84,;-3.83,.08,;-2.49,.85,;-2.5,2.39,;-1.16,3.16,;.18,2.39,;1.51,3.16,;2.84,2.39,;4.18,3.16,;4.17,4.69,;5.51,5.46,;6.84,4.68,;8.18,5.44,;9.51,4.67,;9.5,3.12,;8.16,2.36,;6.83,3.14,;5.51,2.38,;10.85,5.43,;12.18,6.19,;.17,.85,;-1.15,.08,;-6.49,.07,;-7.83,.83,;-9.16,.06,;-9.16,-1.48,;-7.83,-2.25,;-7.83,-3.79,;-6.49,-4.56,;-5.15,-3.79,;-5.16,-2.25,;-6.49,-1.48,)|
Show InChI InChI=1S/C28H30N4O/c29-18-21-5-8-23-19-32(16-13-22(23)17-21)15-12-20-6-9-24(10-7-20)31-28(33)26-11-14-30-27-4-2-1-3-25(26)27/h1-5,8,11,14,17,20,24H,6-7,9-10,12-13,15-16,19H2,(H,31,33)/t20-,24-
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3.98n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411692
PNG
(CHEMBL401728)
Show SMILES Cc1cc(-c2nc3cc4CCN(CCCSc5nnc(-c6ocnc6C)n5C)CCc4cc3o2)n(C)n1
Show InChI InChI=1S/C26H30N8O2S/c1-16-12-21(33(4)31-16)25-28-20-13-18-6-9-34(10-7-19(18)14-22(20)36-25)8-5-11-37-26-30-29-24(32(26)3)23-17(2)27-15-35-23/h12-15H,5-11H2,1-4H3
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3.98n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002632
PNG
(CHEMBL376962)
Show SMILES COc1ccc(cc1OCCN1CCC(C)(C)CC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:23|
Show InChI InChI=1S/C26H30Cl2N2O3/c1-26(2)9-12-29(13-10-26)14-15-33-24-17-19(5-7-23(24)32-3)30-11-8-20(25(30)31)18-4-6-21(27)22(28)16-18/h4-8,16-17H,9-15H2,1-3H3
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002685
PNG
(CHEMBL211850)
Show SMILES COc1ccc(cc1OCCN1CCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:20|
Show InChI InChI=1S/C23H24Cl2N2O3/c1-29-21-7-5-17(15-22(21)30-13-12-26-9-2-3-10-26)27-11-8-18(23(27)28)16-4-6-19(24)20(25)14-16/h4-8,14-15H,2-3,9-13H2,1H3
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002625
PNG
(CHEMBL209432)
Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(Br)cc1 |c:22|
Show InChI InChI=1S/C25H29BrN2O3/c1-18-9-12-27(13-10-18)15-16-31-24-17-21(7-8-23(24)30-2)28-14-11-22(25(28)29)19-3-5-20(26)6-4-19/h3-8,11,17-18H,9-10,12-16H2,1-2H3
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002669
PNG
(CHEMBL212769)
Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CCC(C)(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H32Cl2N2O3/c1-18-8-11-29(12-9-18)14-15-33-24-17-20(5-7-23(24)32-3)30-13-10-26(2,25(30)31)19-4-6-21(27)22(28)16-19/h4-7,16-18H,8-15H2,1-3H3
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002646
PNG
(CHEMBL210007)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)C1=CCN(C1=O)c1ccc(Cl)c(Cl)c1 |t:19|
Show InChI InChI=1S/C24H26Cl2N2O3/c1-30-22-8-5-17(15-23(22)31-14-13-27-10-3-2-4-11-27)19-9-12-28(24(19)29)18-6-7-20(25)21(26)16-18/h5-9,15-16H,2-4,10-14H2,1H3
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50002676
PNG
(CHEMBL212886)
Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1cccc(Cl)c1 |c:22|
Show InChI InChI=1S/C25H29ClN2O3/c1-18-8-11-27(12-9-18)14-15-31-24-17-21(6-7-23(24)30-2)28-13-10-22(25(28)29)19-4-3-5-20(26)16-19/h3-7,10,16-18H,8-9,11-15H2,1-2H3
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
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