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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50011265'   
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 1A


(Rattus norvegicus (rat))
BDBM50011265
PNG
((+)-7-Dipropylamino-6-methyl-5,6,7,8-tetrahydro-na...)
Show SMILES CCCN(CCC)[C@H]1Cc2c(O)cccc2C[C@@H]1C
Show InChI InChI=1S/C17H27NO/c1-4-9-18(10-5-2)16-12-15-14(11-13(16)3)7-6-8-17(15)19/h6-8,13,16,19H,4-5,9-12H2,1-3H3/t13-,16-/m0/s1
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49.6n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.


J Med Chem 34: 497-510 (1991)


BindingDB Entry DOI: 10.7270/Q2PK0GRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50011265
PNG
((+)-7-Dipropylamino-6-methyl-5,6,7,8-tetrahydro-na...)
Show SMILES CCCN(CCC)[C@H]1Cc2c(O)cccc2C[C@@H]1C
Show InChI InChI=1S/C17H27NO/c1-4-9-18(10-5-2)16-12-15-14(11-13(16)3)7-6-8-17(15)19/h6-8,13,16,19H,4-5,9-12H2,1-3H3/t13-,16-/m0/s1
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PubMed
50n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.


J Med Chem 34: 497-510 (1991)


BindingDB Entry DOI: 10.7270/Q2PK0GRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50011265
PNG
((+)-7-Dipropylamino-6-methyl-5,6,7,8-tetrahydro-na...)
Show SMILES CCCN(CCC)[C@H]1Cc2c(O)cccc2C[C@@H]1C
Show InChI InChI=1S/C17H27NO/c1-4-9-18(10-5-2)16-12-15-14(11-13(16)3)7-6-8-17(15)19/h6-8,13,16,19H,4-5,9-12H2,1-3H3/t13-,16-/m0/s1
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PubMed
n/an/a 60.5n/an/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Inhibitory activity tested in vitro at 5-hydroxytryptamine 1A receptor binding site in rat


J Med Chem 31: 1130-40 (1988)


BindingDB Entry DOI: 10.7270/Q23J3DJB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50011265
PNG
((+)-7-Dipropylamino-6-methyl-5,6,7,8-tetrahydro-na...)
Show SMILES CCCN(CCC)[C@H]1Cc2c(O)cccc2C[C@@H]1C
Show InChI InChI=1S/C17H27NO/c1-4-9-18(10-5-2)16-12-15-14(11-13(16)3)7-6-8-17(15)19/h6-8,13,16,19H,4-5,9-12H2,1-3H3/t13-,16-/m0/s1
PDB

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PubMed
n/an/a 61n/an/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Inhibitory activity tested in vitro at 5-hydroxytryptamine 1A receptor binding site in rat


J Med Chem 31: 1130-40 (1988)


BindingDB Entry DOI: 10.7270/Q23J3DJB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50011265
PNG
((+)-7-Dipropylamino-6-methyl-5,6,7,8-tetrahydro-na...)
Show SMILES CCCN(CCC)[C@H]1Cc2c(O)cccc2C[C@@H]1C
Show InChI InChI=1S/C17H27NO/c1-4-9-18(10-5-2)16-12-15-14(11-13(16)3)7-6-8-17(15)19/h6-8,13,16,19H,4-5,9-12H2,1-3H3/t13-,16-/m0/s1
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PubMed
n/an/a 129n/an/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
In vitro Inhibitory activity tested at 5-hydroxytryptamine 1A receptor binding site in rat


J Med Chem 31: 1130-40 (1988)


BindingDB Entry DOI: 10.7270/Q23J3DJB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50011265
PNG
((+)-7-Dipropylamino-6-methyl-5,6,7,8-tetrahydro-na...)
Show SMILES CCCN(CCC)[C@H]1Cc2c(O)cccc2C[C@@H]1C
Show InChI InChI=1S/C17H27NO/c1-4-9-18(10-5-2)16-12-15-14(11-13(16)3)7-6-8-17(15)19/h6-8,13,16,19H,4-5,9-12H2,1-3H3/t13-,16-/m0/s1
PDB

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PubMed
n/an/a 129n/an/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Inhibitory activity tested in vitro at 5-hydroxytryptamine 1A receptor binding site in rat


J Med Chem 31: 1130-40 (1988)


BindingDB Entry DOI: 10.7270/Q23J3DJB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50011265
PNG
((+)-7-Dipropylamino-6-methyl-5,6,7,8-tetrahydro-na...)
Show SMILES CCCN(CCC)[C@H]1Cc2c(O)cccc2C[C@@H]1C
Show InChI InChI=1S/C17H27NO/c1-4-9-18(10-5-2)16-12-15-14(11-13(16)3)7-6-8-17(15)19/h6-8,13,16,19H,4-5,9-12H2,1-3H3/t13-,16-/m0/s1
PDB

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UniProtKB/SwissProt

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UniChem

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PubMed
n/an/a 1.68E+3n/an/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Inhibitory activity tested in vitro at 5-hydroxytryptamine 1A receptor binding site in rat


J Med Chem 31: 1130-40 (1988)


BindingDB Entry DOI: 10.7270/Q23J3DJB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50011265
PNG
((+)-7-Dipropylamino-6-methyl-5,6,7,8-tetrahydro-na...)
Show SMILES CCCN(CCC)[C@H]1Cc2c(O)cccc2C[C@@H]1C
Show InChI InChI=1S/C17H27NO/c1-4-9-18(10-5-2)16-12-15-14(11-13(16)3)7-6-8-17(15)19/h6-8,13,16,19H,4-5,9-12H2,1-3H3/t13-,16-/m0/s1
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.68E+3n/an/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Inhibitory activity tested in vitro at 5-hydroxytryptamine 1A receptor binding site in rat


J Med Chem 31: 1130-40 (1988)


BindingDB Entry DOI: 10.7270/Q23J3DJB
More data for this
Ligand-Target Pair