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Compile Data Set for Download or QSAR

Found 259 hits with Last Name = 'gorelli' and Initial = 'b'   
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 2A


(Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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0.150n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50031465
PNG
(CHEMBL3358104)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C24H27F3N4O/c25-24(26,27)19-7-5-8-20(17-19)31-14-12-30(13-15-31)11-4-3-10-28-23(32)22-16-18-6-1-2-9-21(18)29-22/h1-2,5-9,16-17,29H,3-4,10-15H2,(H,28,32)
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0.200n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50031464
PNG
(CHEMBL3358105)
Show SMILES Fc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C23H26FN3O2/c24-19-8-2-3-9-20(19)27-15-13-26(14-16-27)12-6-5-11-25-23(28)22-17-18-7-1-4-10-21(18)29-22/h1-4,7-10,17H,5-6,11-16H2,(H,25,28)
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0.300n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50031449
PNG
(CHEMBL3358493)
Show SMILES Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1C
Show InChI InChI=1S/C25H31N3O2/c1-19-8-7-10-22(20(19)2)28-16-14-27(15-17-28)13-6-5-12-26-25(29)24-18-21-9-3-4-11-23(21)30-24/h3-4,7-11,18H,5-6,12-17H2,1-2H3,(H,26,29)
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0.400n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50031373
PNG
(CHEMBL3358509)
Show SMILES O=C(NCCCCN1CCN(CC1)c1ccccc1)c1ccc2ncccc2c1
Show InChI InChI=1S/C24H28N4O/c29-24(21-10-11-23-20(19-21)7-6-13-25-23)26-12-4-5-14-27-15-17-28(18-16-27)22-8-2-1-3-9-22/h1-3,6-11,13,19H,4-5,12,14-18H2,(H,26,29)
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0.600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50031376
PNG
(CHEMBL3358512)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C25H29N3O/c29-25(22-10-2-1-3-11-22)26-15-6-7-16-27-17-19-28(20-18-27)24-14-8-12-21-9-4-5-13-23(21)24/h1-5,8-14H,6-7,15-20H2,(H,26,29)
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0.700n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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0.800n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50031376
PNG
(CHEMBL3358512)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C25H29N3O/c29-25(22-10-2-1-3-11-22)26-15-6-7-16-27-17-19-28(20-18-27)24-14-8-12-21-9-4-5-13-23(21)24/h1-5,8-14H,6-7,15-20H2,(H,26,29)
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0.900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50031439
PNG
(CHEMBL3358513)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cnc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C24H28N4O/c29-24(20-8-2-1-3-9-20)25-12-6-7-13-27-14-16-28(17-15-27)22-18-21-10-4-5-11-23(21)26-19-22/h1-5,8-11,18-19H,6-7,12-17H2,(H,25,29)
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1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50031468
PNG
(CHEMBL3358102)
Show SMILES COc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3n2C)CC1
Show InChI InChI=1S/C25H32N4O2/c1-27-23-11-4-3-8-20(23)18-24(27)25(30)26-12-5-6-13-28-14-16-29(17-15-28)21-9-7-10-22(19-21)31-2/h3-4,7-11,18-19H,5-6,12-17H2,1-2H3,(H,26,30)
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1.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50031465
PNG
(CHEMBL3358104)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C24H27F3N4O/c25-24(26,27)19-7-5-8-20(17-19)31-14-12-30(13-15-31)11-4-3-10-28-23(32)22-16-18-6-1-2-9-21(18)29-22/h1-2,5-9,16-17,29H,3-4,10-15H2,(H,28,32)
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1.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50031462
PNG
(CHEMBL3358107)
Show SMILES Cc1cccc(n1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C23H28N4O2/c1-18-7-6-10-22(25-18)27-15-13-26(14-16-27)12-5-4-11-24-23(28)21-17-19-8-2-3-9-20(19)29-21/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,24,28)
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2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50031357
PNG
(CHEMBL3358495)
Show SMILES Cc1cccc(n1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Show InChI InChI=1S/C24H29N5O/c1-19-7-6-10-23(27-19)29-15-13-28(14-16-29)12-5-4-11-25-24(30)22-17-20-8-2-3-9-21(20)18-26-22/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,30)
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2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50031360
PNG
(CHEMBL3358498)
Show SMILES Fc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Show InChI InChI=1S/C24H27FN4O/c25-21-8-5-9-22(17-21)29-14-12-28(13-15-29)11-4-3-10-26-24(30)23-16-19-6-1-2-7-20(19)18-27-23/h1-2,5-9,16-18H,3-4,10-15H2,(H,26,30)
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3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50031444
PNG
(CHEMBL3358516)
Show SMILES Cc1cccc(n1)N1CCN(CCCCNC(=O)c2ccccn2)CC1
Show InChI InChI=1S/C20H27N5O/c1-17-7-6-9-19(23-17)25-15-13-24(14-16-25)12-5-4-11-22-20(26)18-8-2-3-10-21-18/h2-3,6-10H,4-5,11-16H2,1H3,(H,22,26)
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3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50031376
PNG
(CHEMBL3358512)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C25H29N3O/c29-25(22-10-2-1-3-11-22)26-15-6-7-16-27-17-19-28(20-18-27)24-14-8-12-21-9-4-5-13-23(21)24/h1-5,8-14H,6-7,15-20H2,(H,26,29)
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3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50031374
PNG
(CHEMBL3358510)
Show SMILES Cc1cccc(n1)N1CCN(CCCCNC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C21H28N4O/c1-18-8-7-11-20(23-18)25-16-14-24(15-17-25)13-6-5-12-22-21(26)19-9-3-2-4-10-19/h2-4,7-11H,5-6,12-17H2,1H3,(H,22,26)
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3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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3.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50031449
PNG
(CHEMBL3358493)
Show SMILES Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1C
Show InChI InChI=1S/C25H31N3O2/c1-19-8-7-10-22(20(19)2)28-16-14-27(15-17-28)13-6-5-12-26-25(29)24-18-21-9-3-4-11-23(21)30-24/h3-4,7-11,18H,5-6,12-17H2,1-2H3,(H,26,29)
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3.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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3.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50031448
PNG
(CHEMBL3358494)
Show SMILES O=C(NCCCCN1CCN(CC1)c1ccccc1)c1cc2ccccc2o1
Show InChI InChI=1S/C23H27N3O2/c27-23(22-18-19-8-4-5-11-21(19)28-22)24-12-6-7-13-25-14-16-26(17-15-25)20-9-2-1-3-10-20/h1-5,8-11,18H,6-7,12-17H2,(H,24,27)
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4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50031465
PNG
(CHEMBL3358104)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C24H27F3N4O/c25-24(26,27)19-7-5-8-20(17-19)31-14-12-30(13-15-31)11-4-3-10-28-23(32)22-16-18-6-1-2-9-21(18)29-22/h1-2,5-9,16-17,29H,3-4,10-15H2,(H,28,32)
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4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50031449
PNG
(CHEMBL3358493)
Show SMILES Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1C
Show InChI InChI=1S/C25H31N3O2/c1-19-8-7-10-22(20(19)2)28-16-14-27(15-17-28)13-6-5-12-26-25(29)24-18-21-9-3-4-11-23(21)30-24/h3-4,7-11,18H,5-6,12-17H2,1-2H3,(H,26,29)
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4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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4.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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4.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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4.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50031354
PNG
(CHEMBL3358100)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Show InChI InChI=1S/C25H30N4O/c1-20-7-6-10-23(17-20)29-15-13-28(14-16-29)12-5-4-11-26-25(30)24-18-21-8-2-3-9-22(21)19-27-24/h2-3,6-10,17-19H,4-5,11-16H2,1H3,(H,26,30)
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5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50031372
PNG
(CHEMBL3358508)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)[C@@H]2CCc3ccccc3N2)CC1 |r|
Show InChI InChI=1/C25H34N4O/c1-20-7-6-9-22(19-20)29-17-15-28(16-18-29)14-5-4-13-26-25(30)24-12-11-21-8-2-3-10-23(21)27-24/h2-3,6-10,19,24,27H,4-5,11-18H2,1H3,(H,26,30)/t24-/s2
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5.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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5.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50031376
PNG
(CHEMBL3358512)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C25H29N3O/c29-25(22-10-2-1-3-11-22)26-15-6-7-16-27-17-19-28(20-18-27)24-14-8-12-21-9-4-5-13-23(21)24/h1-5,8-14H,6-7,15-20H2,(H,26,29)
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6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50031375
PNG
(CHEMBL3358511)
Show SMILES COc1cccc(n1)N1CCN(CCCCNC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C21H28N4O2/c1-27-20-11-7-10-19(23-20)25-16-14-24(15-17-25)13-6-5-12-22-21(26)18-8-3-2-4-9-18/h2-4,7-11H,5-6,12-17H2,1H3,(H,22,26)
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6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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6.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50031355
PNG
(CHEMBL3358099)
Show SMILES COc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Show InChI InChI=1S/C25H30N4O2/c1-31-23-10-6-9-22(18-23)29-15-13-28(14-16-29)12-5-4-11-26-25(30)24-17-20-7-2-3-8-21(20)19-27-24/h2-3,6-10,17-19H,4-5,11-16H2,1H3,(H,26,30)
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7.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50031354
PNG
(CHEMBL3358100)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Show InChI InChI=1S/C25H30N4O/c1-20-7-6-10-23(17-20)29-15-13-28(14-16-29)12-5-4-11-26-25(30)24-18-21-8-2-3-9-22(21)19-27-24/h2-3,6-10,17-19H,4-5,11-16H2,1H3,(H,26,30)
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8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50031445
PNG
(CHEMBL3358517)
Show SMILES COc1cccc(n1)N1CCN(CCCCNC(=O)c2ccccn2)CC1
Show InChI InChI=1S/C20H27N5O2/c1-27-19-9-6-8-18(23-19)25-15-13-24(14-16-25)12-5-4-11-22-20(26)17-7-2-3-10-21-17/h2-3,6-10H,4-5,11-16H2,1H3,(H,22,26)
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8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50031361
PNG
(CHEMBL3358499)
Show SMILES Fc1ccc(cc1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Show InChI InChI=1S/C24H27FN4O/c25-21-7-9-22(10-8-21)29-15-13-28(14-16-29)12-4-3-11-26-24(30)23-17-19-5-1-2-6-20(19)18-27-23/h1-2,5-10,17-18H,3-4,11-16H2,(H,26,30)
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8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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8.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50031461
PNG
(CHEMBL3358492)
Show SMILES COc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-21-9-6-8-20(18-21)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-17-19-7-2-3-10-22(19)30-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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8.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50031355
PNG
(CHEMBL3358099)
Show SMILES COc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Show InChI InChI=1S/C25H30N4O2/c1-31-23-10-6-9-22(18-23)29-15-13-28(14-16-29)12-5-4-11-26-25(30)24-17-20-7-2-3-8-21(20)19-27-24/h2-3,6-10,17-19H,4-5,11-16H2,1H3,(H,26,30)
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9.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50031369
PNG
(CHEMBL3358505)
Show SMILES O=C(NCCCCN1CCN(CC1)c1ccccc1)[C@H]1CCc2ccccc2N1 |r|
Show InChI InChI=1/C24H32N4O/c29-24(23-13-12-20-8-4-5-11-22(20)26-23)25-14-6-7-15-27-16-18-28(19-17-27)21-9-2-1-3-10-21/h1-5,8-11,23,26H,6-7,12-19H2,(H,25,29)/t23-/s2
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9.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50031468
PNG
(CHEMBL3358102)
Show SMILES COc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3n2C)CC1
Show InChI InChI=1S/C25H32N4O2/c1-27-23-11-4-3-8-20(23)18-24(27)25(30)26-12-5-6-13-28-14-16-29(17-15-28)21-9-7-10-22(19-21)31-2/h3-4,7-11,18-19H,5-6,12-17H2,1-2H3,(H,26,30)
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50031360
PNG
(CHEMBL3358498)
Show SMILES Fc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Show InChI InChI=1S/C24H27FN4O/c25-21-8-5-9-22(17-21)29-14-12-28(13-15-29)11-4-3-10-26-24(30)23-16-19-6-1-2-7-20(19)18-27-23/h1-2,5-9,16-18H,3-4,10-15H2,(H,26,30)
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50031360
PNG
(CHEMBL3358498)
Show SMILES Fc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Show InChI InChI=1S/C24H27FN4O/c25-21-8-5-9-22(17-21)29-14-12-28(13-15-29)11-4-3-10-26-24(30)23-16-19-6-1-2-7-20(19)18-27-23/h1-2,5-9,16-18H,3-4,10-15H2,(H,26,30)
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50031353
PNG
(CHEMBL3358101)
Show SMILES O=C(NCCCCN1CCN(CC1)c1ccccc1)c1cc2ccccc2cn1
Show InChI InChI=1S/C24H28N4O/c29-24(23-18-20-8-4-5-9-21(20)19-26-23)25-12-6-7-13-27-14-16-28(17-15-27)22-10-2-1-3-11-22/h1-5,8-11,18-19H,6-7,12-17H2,(H,25,29)
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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50031359
PNG
(CHEMBL3358497)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cnc2ccccc2c1)c1cc2ccccc2cn1
Show InChI InChI=1S/C27H29N5O/c33-27(26-18-21-7-1-2-9-23(21)19-29-26)28-11-5-6-12-31-13-15-32(16-14-31)24-17-22-8-3-4-10-25(22)30-20-24/h1-4,7-10,17-20H,5-6,11-16H2,(H,28,33)
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14n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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15n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50031464
PNG
(CHEMBL3358105)
Show SMILES Fc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C23H26FN3O2/c24-19-8-2-3-9-20(19)27-15-13-26(14-16-27)12-6-5-11-25-23(28)22-17-18-7-1-4-10-21(18)29-22/h1-4,7-10,17H,5-6,11-16H2,(H,25,28)
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15n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
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