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Compile Data Set for Download or QSAR

Found 25 hits from Astra Arcus AB   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50005118
PNG
((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Astra Arcus AB

Curated by PDSP Ki Database




Mol Pharmacol 43: 749-54 (1993)


BindingDB Entry DOI: 10.7270/Q2K072SP
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50005118
PNG
((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Astra Arcus AB

Curated by PDSP Ki Database




Mol Pharmacol 43: 749-54 (1993)


BindingDB Entry DOI: 10.7270/Q2K072SP
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50369356
PNG
(CHEMBL1744087)
Show SMILES C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@H]1CNCCO1
Show InChI InChI=1S/C19H26N2O4/c1-2-16-10-15(12-21-5-8-22-9-6-21)13-25-19(16)18(3-1)24-14-17-11-20-4-7-23-17/h1-3,10,17,20H,4-9,11-14H2/t17-/m1/s1
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47n/an/an/an/an/an/an/an/a



Astra Arcus AB

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1B receptor in membranes of Rat cerebral cortex


J Med Chem 41: 1934-42 (1998)


Article DOI: 10.1021/jm970806i
BindingDB Entry DOI: 10.7270/Q2V40VWR
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50369357
PNG
(CHEMBL1201939)
Show SMILES C(Oc1cccc2C=C(CN3CCOCC3)COc12)C1CNCCO1
Show InChI InChI=1S/C19H26N2O4/c1-2-16-10-15(12-21-5-8-22-9-6-21)13-25-19(16)18(3-1)24-14-17-11-20-4-7-23-17/h1-3,10,17,20H,4-9,11-14H2
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60n/an/an/an/an/an/an/an/a



Astra Arcus AB

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1B receptor in membranes of Rat cerebral cortex


J Med Chem 41: 1934-42 (1998)


Article DOI: 10.1021/jm970806i
BindingDB Entry DOI: 10.7270/Q2V40VWR
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50064466
PNG
(CHEMBL58961 | Morpholin-4-yl-[8-(morpholin-2-ylmet...)
Show SMILES O=C(N1CCOCC1)C1=Cc2cccc(OCC3CNCCO3)c2OC1
Show InChI InChI=1S/C19H24N2O5/c22-19(21-5-8-23-9-6-21)15-10-14-2-1-3-17(18(14)26-12-15)25-13-16-11-20-4-7-24-16/h1-3,10,16,20H,4-9,11-13H2
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240n/an/an/an/an/an/an/an/a



Astra Arcus AB

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1B receptor in membranes of Rat cerebral cortex


J Med Chem 41: 1934-42 (1998)


Article DOI: 10.1021/jm970806i
BindingDB Entry DOI: 10.7270/Q2V40VWR
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50064462
PNG
(8-(Morpholin-2-ylmethoxy)-2H-chromene-3-carbonitri...)
Show SMILES N#CC1=Cc2cccc(OCC3CNCCO3)c2OC1
Show InChI InChI=1S/C15H16N2O3/c16-7-11-6-12-2-1-3-14(15(12)20-9-11)19-10-13-8-17-4-5-18-13/h1-3,6,13,17H,4-5,8-10H2
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250n/an/an/an/an/an/an/an/a



Astra Arcus AB

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1B receptor in membranes of Rat cerebral cortex


J Med Chem 41: 1934-42 (1998)


Article DOI: 10.1021/jm970806i
BindingDB Entry DOI: 10.7270/Q2V40VWR
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50369355
PNG
(CHEMBL1202783)
Show SMILES C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@@H]1CNCCO1
Show InChI InChI=1S/C19H26N2O4/c1-2-16-10-15(12-21-5-8-22-9-6-21)13-25-19(16)18(3-1)24-14-17-11-20-4-7-23-17/h1-3,10,17,20H,4-9,11-14H2/t17-/m0/s1
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275n/an/an/an/an/an/an/an/a



Astra Arcus AB

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1B receptor in membranes of Rat cerebral cortex


J Med Chem 41: 1934-42 (1998)


Article DOI: 10.1021/jm970806i
BindingDB Entry DOI: 10.7270/Q2V40VWR
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50064464
PNG
(5-(Morpholin-2-ylmethoxy)-3,4-dihydro-naphthalene-...)
Show SMILES N#CC1=Cc2cccc(OCC3CNCCO3)c2CC1
Show InChI InChI=1S/C16H18N2O2/c17-9-12-4-5-15-13(8-12)2-1-3-16(15)20-11-14-10-18-6-7-19-14/h1-3,8,14,18H,4-7,10-11H2
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445n/an/an/an/an/an/an/an/a



Astra Arcus AB

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1B receptor in membranes of Rat cerebral cortex


J Med Chem 41: 1934-42 (1998)


Article DOI: 10.1021/jm970806i
BindingDB Entry DOI: 10.7270/Q2V40VWR
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50369356
PNG
(CHEMBL1744087)
Show SMILES C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@H]1CNCCO1
Show InChI InChI=1S/C19H26N2O4/c1-2-16-10-15(12-21-5-8-22-9-6-21)13-25-19(16)18(3-1)24-14-17-11-20-4-7-23-17/h1-3,10,17,20H,4-9,11-14H2/t17-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Astra Arcus AB

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor using [3H]QNB as the radioligand.


J Med Chem 41: 1934-42 (1998)


Article DOI: 10.1021/jm970806i
BindingDB Entry DOI: 10.7270/Q2V40VWR
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50064467
PNG
(8-(Piperidin-3-ylmethoxy)-2H-chromene-3-carbonitri...)
Show SMILES N#CC1=Cc2cccc(OCC3CCCNC3)c2OC1
Show InChI InChI=1S/C16H18N2O2/c17-8-13-7-14-4-1-5-15(16(14)20-11-13)19-10-12-3-2-6-18-9-12/h1,4-5,7,12,18H,2-3,6,9-11H2
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1.40E+3n/an/an/an/an/an/an/an/a



Astra Arcus AB

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1B receptor in membranes of Rat cerebral cortex


J Med Chem 41: 1934-42 (1998)


Article DOI: 10.1021/jm970806i
BindingDB Entry DOI: 10.7270/Q2V40VWR
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50369356
PNG
(CHEMBL1744087)
Show SMILES C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@H]1CNCCO1
Show InChI InChI=1S/C19H26N2O4/c1-2-16-10-15(12-21-5-8-22-9-6-21)13-25-19(16)18(3-1)24-14-17-11-20-4-7-23-17/h1-3,10,17,20H,4-9,11-14H2/t17-/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



Astra Arcus AB

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 6 receptor from CHO cell membranes using [3H]5-HT as the radioligand.


J Med Chem 41: 1934-42 (1998)


Article DOI: 10.1021/jm970806i
BindingDB Entry DOI: 10.7270/Q2V40VWR
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50064465
PNG
(8-(4-Methyl-morpholin-2-ylmethoxy)-2H-chromene-3-c...)
Show SMILES CN1CCOC(COc2cccc3C=C(COc23)C#N)C1
Show InChI InChI=1S/C16H18N2O3/c1-18-5-6-19-14(9-18)11-20-15-4-2-3-13-7-12(8-17)10-21-16(13)15/h2-4,7,14H,5-6,9-11H2,1H3
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3.60E+3n/an/an/an/an/an/an/an/a



Astra Arcus AB

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1B receptor in membranes of Rat cerebral cortex


J Med Chem 41: 1934-42 (1998)


Article DOI: 10.1021/jm970806i
BindingDB Entry DOI: 10.7270/Q2V40VWR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50369356
PNG
(CHEMBL1744087)
Show SMILES C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@H]1CNCCO1
Show InChI InChI=1S/C19H26N2O4/c1-2-16-10-15(12-21-5-8-22-9-6-21)13-25-19(16)18(3-1)24-14-17-11-20-4-7-23-17/h1-3,10,17,20H,4-9,11-14H2/t17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Astra Arcus AB

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 from cell LtkhD2A membranes using [3H]raclopride as the radioligand.


J Med Chem 41: 1934-42 (1998)


Article DOI: 10.1021/jm970806i
BindingDB Entry DOI: 10.7270/Q2V40VWR
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50369356
PNG
(CHEMBL1744087)
Show SMILES C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@H]1CNCCO1
Show InChI InChI=1S/C19H26N2O4/c1-2-16-10-15(12-21-5-8-22-9-6-21)13-25-19(16)18(3-1)24-14-17-11-20-4-7-23-17/h1-3,10,17,20H,4-9,11-14H2/t17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Astra Arcus AB

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2C receptor from rat cortex using [3H]mesulergine as the radioligand.


J Med Chem 41: 1934-42 (1998)


Article DOI: 10.1021/jm970806i
BindingDB Entry DOI: 10.7270/Q2V40VWR
More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50369356
PNG
(CHEMBL1744087)
Show SMILES C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@H]1CNCCO1
Show InChI InChI=1S/C19H26N2O4/c1-2-16-10-15(12-21-5-8-22-9-6-21)13-25-19(16)18(3-1)24-14-17-11-20-4-7-23-17/h1-3,10,17,20H,4-9,11-14H2/t17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Astra Arcus AB

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from rat whole brains using [3H]DTG as the radioligand.


J Med Chem 41: 1934-42 (1998)


Article DOI: 10.1021/jm970806i
BindingDB Entry DOI: 10.7270/Q2V40VWR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50369356
PNG
(CHEMBL1744087)
Show SMILES C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@H]1CNCCO1
Show InChI InChI=1S/C19H26N2O4/c1-2-16-10-15(12-21-5-8-22-9-6-21)13-25-19(16)18(3-1)24-14-17-11-20-4-7-23-17/h1-3,10,17,20H,4-9,11-14H2/t17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Astra Arcus AB

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 7 receptor using from CHO cell membranes [3H]5-HT as the radioligand.


J Med Chem 41: 1934-42 (1998)


Article DOI: 10.1021/jm970806i
BindingDB Entry DOI: 10.7270/Q2V40VWR
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50369355
PNG
(CHEMBL1202783)
Show SMILES C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@@H]1CNCCO1
Show InChI InChI=1S/C19H26N2O4/c1-2-16-10-15(12-21-5-8-22-9-6-21)13-25-19(16)18(3-1)24-14-17-11-20-4-7-23-17/h1-3,10,17,20H,4-9,11-14H2/t17-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Astra Arcus AB

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D1 in rat striatum using [3H]-SCH- 23390 as the radioligand.


J Med Chem 41: 1934-42 (1998)


Article DOI: 10.1021/jm970806i
BindingDB Entry DOI: 10.7270/Q2V40VWR
More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50369355
PNG
(CHEMBL1202783)
Show SMILES C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@@H]1CNCCO1
Show InChI InChI=1S/C19H26N2O4/c1-2-16-10-15(12-21-5-8-22-9-6-21)13-25-19(16)18(3-1)24-14-17-11-20-4-7-23-17/h1-3,10,17,20H,4-9,11-14H2/t17-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Astra Arcus AB

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from rat whole brains using [3H]DTG as the radioligand.


J Med Chem 41: 1934-42 (1998)


Article DOI: 10.1021/jm970806i
BindingDB Entry DOI: 10.7270/Q2V40VWR
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50369355
PNG
(CHEMBL1202783)
Show SMILES C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@@H]1CNCCO1
Show InChI InChI=1S/C19H26N2O4/c1-2-16-10-15(12-21-5-8-22-9-6-21)13-25-19(16)18(3-1)24-14-17-11-20-4-7-23-17/h1-3,10,17,20H,4-9,11-14H2/t17-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Astra Arcus AB

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2C receptor from rat cortex using [3H]mesulergine as the radioligand.


J Med Chem 41: 1934-42 (1998)


Article DOI: 10.1021/jm970806i
BindingDB Entry DOI: 10.7270/Q2V40VWR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50369355
PNG
(CHEMBL1202783)
Show SMILES C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@@H]1CNCCO1
Show InChI InChI=1S/C19H26N2O4/c1-2-16-10-15(12-21-5-8-22-9-6-21)13-25-19(16)18(3-1)24-14-17-11-20-4-7-23-17/h1-3,10,17,20H,4-9,11-14H2/t17-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Astra Arcus AB

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 from cell LtkhD2A membranes using [3H]raclopride as the radioligand.


J Med Chem 41: 1934-42 (1998)


Article DOI: 10.1021/jm970806i
BindingDB Entry DOI: 10.7270/Q2V40VWR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50369356
PNG
(CHEMBL1744087)
Show SMILES C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@H]1CNCCO1
Show InChI InChI=1S/C19H26N2O4/c1-2-16-10-15(12-21-5-8-22-9-6-21)13-25-19(16)18(3-1)24-14-17-11-20-4-7-23-17/h1-3,10,17,20H,4-9,11-14H2/t17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Astra Arcus AB

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from rat hippocampus using [3H]8-OH-DPAT as the radioligand.


J Med Chem 41: 1934-42 (1998)


Article DOI: 10.1021/jm970806i
BindingDB Entry DOI: 10.7270/Q2V40VWR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50369355
PNG
(CHEMBL1202783)
Show SMILES C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@@H]1CNCCO1
Show InChI InChI=1S/C19H26N2O4/c1-2-16-10-15(12-21-5-8-22-9-6-21)13-25-19(16)18(3-1)24-14-17-11-20-4-7-23-17/h1-3,10,17,20H,4-9,11-14H2/t17-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Astra Arcus AB

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from rat hippocampus using [3H]8-OH-DPAT as the radioligand.


J Med Chem 41: 1934-42 (1998)


Article DOI: 10.1021/jm970806i
BindingDB Entry DOI: 10.7270/Q2V40VWR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50369356
PNG
(CHEMBL1744087)
Show SMILES C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@H]1CNCCO1
Show InChI InChI=1S/C19H26N2O4/c1-2-16-10-15(12-21-5-8-22-9-6-21)13-25-19(16)18(3-1)24-14-17-11-20-4-7-23-17/h1-3,10,17,20H,4-9,11-14H2/t17-/m1/s1
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Astra Arcus AB

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor from rat cortex using [3H]ketanserin as the radioligand.


J Med Chem 41: 1934-42 (1998)


Article DOI: 10.1021/jm970806i
BindingDB Entry DOI: 10.7270/Q2V40VWR
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50369356
PNG
(CHEMBL1744087)
Show SMILES C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@H]1CNCCO1
Show InChI InChI=1S/C19H26N2O4/c1-2-16-10-15(12-21-5-8-22-9-6-21)13-25-19(16)18(3-1)24-14-17-11-20-4-7-23-17/h1-3,10,17,20H,4-9,11-14H2/t17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Astra Arcus AB

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D1 in rat striatum using [3H]-SCH- 23390 as the radioligand.


J Med Chem 41: 1934-42 (1998)


Article DOI: 10.1021/jm970806i
BindingDB Entry DOI: 10.7270/Q2V40VWR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50369355
PNG
(CHEMBL1202783)
Show SMILES C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@@H]1CNCCO1
Show InChI InChI=1S/C19H26N2O4/c1-2-16-10-15(12-21-5-8-22-9-6-21)13-25-19(16)18(3-1)24-14-17-11-20-4-7-23-17/h1-3,10,17,20H,4-9,11-14H2/t17-/m0/s1
Reactome pathway
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>1.00E+4n/an/an/an/an/an/an/an/a



Astra Arcus AB

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor from rat cortex using [3H]ketanserin as the radioligand.


J Med Chem 41: 1934-42 (1998)


Article DOI: 10.1021/jm970806i
BindingDB Entry DOI: 10.7270/Q2V40VWR
More data for this
Ligand-Target Pair