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Compile Data Set for Download or QSAR

Found 57 hits with Last Name = 'kalkman' and Initial = 'ho'   
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
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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16.2n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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21.4n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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63.1n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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112n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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162n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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162n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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1.48E+3n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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2.95E+3n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
Glutamate receptor 2


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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3.20E+3n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to GluR2


J Med Chem 53: 5367-82 (2010)


Article DOI: 10.1021/jm901688m
BindingDB Entry DOI: 10.7270/Q2FX79NV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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3.31E+3n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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4.20E+3n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to GluR5


J Med Chem 53: 5367-82 (2010)


Article DOI: 10.1021/jm901688m
BindingDB Entry DOI: 10.7270/Q2FX79NV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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4.90E+3n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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8.32E+3n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
Glutamate receptor 1


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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9.20E+3n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to GluR1


J Med Chem 53: 5367-82 (2010)


Article DOI: 10.1021/jm901688m
BindingDB Entry DOI: 10.7270/Q2FX79NV
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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9.33E+3n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 904-14 (2001)


Article DOI: 10.1016/S0893-133X(01)00285-8
BindingDB Entry DOI: 10.7270/Q21V5CHQ
More data for this
Ligand-Target Pair
Glutamate receptor 3


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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PubMed
3.20E+4n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to GluR3


J Med Chem 53: 5367-82 (2010)


Article DOI: 10.1021/jm901688m
BindingDB Entry DOI: 10.7270/Q2FX79NV
More data for this
Ligand-Target Pair
Glutamate receptor 4


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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5.05E+4n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to GluR4


J Med Chem 53: 5367-82 (2010)


Article DOI: 10.1021/jm901688m
BindingDB Entry DOI: 10.7270/Q2FX79NV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to GluR6


J Med Chem 53: 5367-82 (2010)


Article DOI: 10.1021/jm901688m
BindingDB Entry DOI: 10.7270/Q2FX79NV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3


(Homo sapiens (Human))
BDBM86751
PNG
(CHEMBL14935 | LY 293558 | LY-293558)
Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to GluR7


J Med Chem 53: 5367-82 (2010)


Article DOI: 10.1021/jm901688m
BindingDB Entry DOI: 10.7270/Q2FX79NV
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Homo sapiens (Human))
BDBM50133599
PNG
((7-Imidazol-1-yl-6-nitro-2,3-dioxo-3,4-dihydro-2H-...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccnc1
Show InChI InChI=1S/C13H9N5O6/c19-11(20)5-17-8-4-9(16-2-1-14-6-16)10(18(23)24)3-7(8)15-12(21)13(17)22/h1-4,6H,5H2,(H,15,21)(H,19,20)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human OAT1


J Med Chem 53: 5367-82 (2010)


Article DOI: 10.1021/jm901688m
BindingDB Entry DOI: 10.7270/Q2FX79NV
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens (Human))
BDBM50133599
PNG
((7-Imidazol-1-yl-6-nitro-2,3-dioxo-3,4-dihydro-2H-...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccnc1
Show InChI InChI=1S/C13H9N5O6/c19-11(20)5-17-8-4-9(16-2-1-14-6-16)10(18(23)24)3-7(8)15-12(21)13(17)22/h1-4,6H,5H2,(H,15,21)(H,19,20)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human OAT3


J Med Chem 53: 5367-82 (2010)


Article DOI: 10.1021/jm901688m
BindingDB Entry DOI: 10.7270/Q2FX79NV
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(BOVINE)
BDBM85099
PNG
(CAS_141474-54-6 | SDZ SER 082 FUMARATE | SDZ SER-0...)
Show SMILES CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 |r|
Show InChI InChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,12,14H,5-10H2,1H3/t12-,14-/m1/s1
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n/an/an/a<1.00E+4n/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 of calf striatal tissue using [3H]SCH-23390


J Med Chem 38: 28-33 (1995)


Article DOI: 10.1021/jm00001a007
BindingDB Entry DOI: 10.7270/Q2C2505V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM85099
PNG
(CAS_141474-54-6 | SDZ SER 082 FUMARATE | SDZ SER-0...)
Show SMILES CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 |r|
Show InChI InChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,12,14H,5-10H2,1H3/t12-,14-/m1/s1
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n/an/an/a<1.00E+4n/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 of calf striatal tissue using [3H]spiperone


J Med Chem 38: 28-33 (1995)


Article DOI: 10.1021/jm00001a007
BindingDB Entry DOI: 10.7270/Q2C2505V
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM85099
PNG
(CAS_141474-54-6 | SDZ SER 082 FUMARATE | SDZ SER-0...)
Show SMILES CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 |r|
Show InChI InChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,12,14H,5-10H2,1H3/t12-,14-/m1/s1
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n/an/an/a 1.00E+3n/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor of calf brain cortex using [3H]prazosin


J Med Chem 38: 28-33 (1995)


Article DOI: 10.1021/jm00001a007
BindingDB Entry DOI: 10.7270/Q2C2505V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM85099
PNG
(CAS_141474-54-6 | SDZ SER 082 FUMARATE | SDZ SER-0...)
Show SMILES CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 |r|
Show InChI InChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,12,14H,5-10H2,1H3/t12-,14-/m1/s1
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n/an/an/a 794n/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in pig frontal cortex membranes using [8H]-OH-DPAT


J Med Chem 38: 28-33 (1995)


Article DOI: 10.1021/jm00001a007
BindingDB Entry DOI: 10.7270/Q2C2505V
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(BOVINE)
BDBM85099
PNG
(CAS_141474-54-6 | SDZ SER 082 FUMARATE | SDZ SER-0...)
Show SMILES CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 |r|
Show InChI InChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,12,14H,5-10H2,1H3/t12-,14-/m1/s1
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n/an/an/a 999n/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2 adrenergic receptor of calf brain cortex using [3H]clonidine


J Med Chem 38: 28-33 (1995)


Article DOI: 10.1021/jm00001a007
BindingDB Entry DOI: 10.7270/Q2C2505V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Mus musculus (house mouse))
BDBM85099
PNG
(CAS_141474-54-6 | SDZ SER 082 FUMARATE | SDZ SER-0...)
Show SMILES CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 |r|
Show InChI InChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,12,14H,5-10H2,1H3/t12-,14-/m1/s1
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n/an/an/a 2.00E+3n/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor in rat cortex preparations using [3H]ketanserin


J Med Chem 38: 28-33 (1995)


Article DOI: 10.1021/jm00001a007
BindingDB Entry DOI: 10.7270/Q2C2505V
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(BOVINE)
BDBM85099
PNG
(CAS_141474-54-6 | SDZ SER 082 FUMARATE | SDZ SER-0...)
Show SMILES CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 |r|
Show InChI InChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,12,14H,5-10H2,1H3/t12-,14-/m1/s1
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n/an/an/a 1.00E+3n/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2 adrenergic receptor of calf brain cortex using [3H]clonidine


J Med Chem 38: 28-33 (1995)


Article DOI: 10.1021/jm00001a007
BindingDB Entry DOI: 10.7270/Q2C2505V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Mus musculus (house mouse))
BDBM85099
PNG
(CAS_141474-54-6 | SDZ SER 082 FUMARATE | SDZ SER-0...)
Show SMILES CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 |r|
Show InChI InChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,12,14H,5-10H2,1H3/t12-,14-/m1/s1
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n/an/an/a 2.00E+4n/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor in rat cortex preparations using [3H]ketanserin


J Med Chem 38: 28-33 (1995)


Article DOI: 10.1021/jm00001a007
BindingDB Entry DOI: 10.7270/Q2C2505V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM85099
PNG
(CAS_141474-54-6 | SDZ SER 082 FUMARATE | SDZ SER-0...)
Show SMILES CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 |r|
Show InChI InChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,12,14H,5-10H2,1H3/t12-,14-/m1/s1
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n/an/an/a 3.98E+3n/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1B receptor in rat frontal cortex membranes using [125]ICYP


J Med Chem 38: 28-33 (1995)


Article DOI: 10.1021/jm00001a007
BindingDB Entry DOI: 10.7270/Q2C2505V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM85099
PNG
(CAS_141474-54-6 | SDZ SER 082 FUMARATE | SDZ SER-0...)
Show SMILES CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 |r|
Show InChI InChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,12,14H,5-10H2,1H3/t12-,14-/m1/s1
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n/an/an/a 199n/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2C receptor of porcine choroid plexus using [3H]mesulergine


J Med Chem 38: 28-33 (1995)


Article DOI: 10.1021/jm00001a007
BindingDB Entry DOI: 10.7270/Q2C2505V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM85099
PNG
(CAS_141474-54-6 | SDZ SER 082 FUMARATE | SDZ SER-0...)
Show SMILES CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 |r|
Show InChI InChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,12,14H,5-10H2,1H3/t12-,14-/m1/s1
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n/an/an/a 200n/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2C receptor of porcine choroid plexus using [3H]mesulergine


J Med Chem 38: 28-33 (1995)


Article DOI: 10.1021/jm00001a007
BindingDB Entry DOI: 10.7270/Q2C2505V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM85099
PNG
(CAS_141474-54-6 | SDZ SER 082 FUMARATE | SDZ SER-0...)
Show SMILES CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 |r|
Show InChI InChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,12,14H,5-10H2,1H3/t12-,14-/m1/s1
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n/an/an/a<1.00E+4n/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 of calf striatal tissue using [3H]spiperone


J Med Chem 38: 28-33 (1995)


Article DOI: 10.1021/jm00001a007
BindingDB Entry DOI: 10.7270/Q2C2505V
More data for this
Ligand-Target Pair
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