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Compile Data Set for Download or QSAR

Found 7 hits from Angelini Ricerche S.p.A.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50073443
PNG
(2-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-butyl}-2...)
Show SMILES CC(CCn1nc2ccccn2c1=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C20H24ClN5O/c1-16(8-10-26-20(27)25-9-3-2-7-19(25)22-26)23-11-13-24(14-12-23)18-6-4-5-17(21)15-18/h2-7,9,15-16H,8,10-14H2,1H3
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n/an/a 17n/an/an/an/an/an/a



Angelini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-ketanserin binding to 5-hydroxytryptamine 2A receptor


J Med Chem 42: 336-45 (1999)


Article DOI: 10.1021/jm970700n
BindingDB Entry DOI: 10.7270/Q2Q52NSS
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50073444
PNG
(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}[1,2...)
Show SMILES Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1
Show InChI InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2
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n/an/a 17n/an/an/an/an/an/a



Angelini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-ketanserin binding to 5-hydroxytryptamine 2A receptor


J Med Chem 42: 336-45 (1999)


Article DOI: 10.1021/jm970700n
BindingDB Entry DOI: 10.7270/Q2Q52NSS
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50073445
PNG
(2-{3-[(S)-4-(3-Chloro-phenyl)-2-methyl-piperazin-1...)
Show SMILES C[C@H]1CN(CCN1CCCn1nc2ccccn2c1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H24ClN5O/c1-16-15-24(18-7-4-6-17(21)14-18)13-12-23(16)9-5-11-26-20(27)25-10-3-2-8-19(25)22-26/h2-4,6-8,10,14,16H,5,9,11-13,15H2,1H3/t16-/m0/s1
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n/an/a 25.4n/an/an/an/an/an/a



Angelini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was tested for it's binding affinity towards 5-hydroxytryptamine 2A receptor


J Med Chem 42: 336-45 (1999)


Article DOI: 10.1021/jm970700n
BindingDB Entry DOI: 10.7270/Q2Q52NSS
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50073439
PNG
(2-{3-[4-(3-Chloro-phenyl)-2-methyl-piperazin-1-yl]...)
Show SMILES CC1CN(CCN1CCCn1nc2ccccn2c1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H24ClN5O/c1-16-15-24(18-7-4-6-17(21)14-18)13-12-23(16)9-5-11-26-20(27)25-10-3-2-8-19(25)22-26/h2-4,6-8,10,14,16H,5,9,11-13,15H2,1H3
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n/an/a 31n/an/an/an/an/an/a



Angelini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-ketanserin binding to 5-hydroxytryptamine 2A receptor


J Med Chem 42: 336-45 (1999)


Article DOI: 10.1021/jm970700n
BindingDB Entry DOI: 10.7270/Q2Q52NSS
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50073442
PNG
(2-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-2-methyl...)
Show SMILES CC(CN1CCN(CC1)c1cccc(Cl)c1)Cn1nc2ccccn2c1=O
Show InChI InChI=1S/C20H24ClN5O/c1-16(15-26-20(27)25-8-3-2-7-19(25)22-26)14-23-9-11-24(12-10-23)18-6-4-5-17(21)13-18/h2-8,13,16H,9-12,14-15H2,1H3
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n/an/a 94n/an/an/an/an/an/a



Angelini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-ketanserin binding to 5-hydroxytryptamine 2A receptor


J Med Chem 42: 336-45 (1999)


Article DOI: 10.1021/jm970700n
BindingDB Entry DOI: 10.7270/Q2Q52NSS
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50073441
PNG
(2-{3-[4-(3-Chloro-phenyl)-2-ethyl-piperazin-1-yl]-...)
Show SMILES CCC1CN(CCN1CCCn1nc2ccccn2c1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H26ClN5O/c1-2-18-16-25(19-8-5-7-17(22)15-19)14-13-24(18)10-6-12-27-21(28)26-11-4-3-9-20(26)23-27/h3-5,7-9,11,15,18H,2,6,10,12-14,16H2,1H3
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n/an/a 169n/an/an/an/an/an/a



Angelini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-ketanserin binding to 5-hydroxytryptamine 2A receptor


J Med Chem 42: 336-45 (1999)


Article DOI: 10.1021/jm970700n
BindingDB Entry DOI: 10.7270/Q2Q52NSS
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50073440
PNG
(2-{3-[(R)-4-(3-Chloro-phenyl)-2-methyl-piperazin-1...)
Show SMILES C[C@@H]1CN(CCN1CCCn1nc2ccccn2c1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H24ClN5O/c1-16-15-24(18-7-4-6-17(21)14-18)13-12-23(16)9-5-11-26-20(27)25-10-3-2-8-19(25)22-26/h2-4,6-8,10,14,16H,5,9,11-13,15H2,1H3/t16-/m1/s1
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n/an/a 234n/an/an/an/an/an/a



Angelini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was tested for it's binding affinity towards 5-hydroxytryptamine 2A receptor


J Med Chem 42: 336-45 (1999)


Article DOI: 10.1021/jm970700n
BindingDB Entry DOI: 10.7270/Q2Q52NSS
More data for this
Ligand-Target Pair