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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM312156'   
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


(Homo sapiens (Human))
BDBM312156
PNG
(6-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butoxy)-2H...)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C23H29N3O4/c1-28-22-7-3-2-6-20(22)26-13-11-25(12-14-26)10-4-5-15-29-18-8-9-21-19(16-18)24-23(27)17-30-21/h2-3,6-9,16H,4-5,10-15,17H2,1H3,(H,24,27)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.650n/a 0.970n/an/an/an/an/an/a



REVIVA PHARMACEUTICALS, INC.

US Patent


Assay Description
Receptor Source: Human recombinant expressed in HEK-293 cells Radioligand: [3H]-8-OH-DPAT (221 Ci/mmol) Control Compound: 8-OH-DPAT Incubati...


US Patent US9604944 (2017)


BindingDB Entry DOI: 10.7270/Q2ZW1NZ2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM312156
PNG
(6-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butoxy)-2H...)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C23H29N3O4/c1-28-22-7-3-2-6-20(22)26-13-11-25(12-14-26)10-4-5-15-29-18-8-9-21-19(16-18)24-23(27)17-30-21/h2-3,6-9,16H,4-5,10-15,17H2,1H3,(H,24,27)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.650n/an/an/an/an/an/an/an/a



Reviva Pharmaceuticals, Inc.

US Patent


Assay Description
Serotonin, 5HT1A: Materials and Methods:Receptor Source: Human recombinant 5-HT1A expressed mammalian cellsRadioligand: [3H]-8-OH-DPAT (221 Ci/mmol)C...


US Patent US10441590 (2019)


BindingDB Entry DOI: 10.7270/Q2959KXP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM312156
PNG
(6-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butoxy)-2H...)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C23H29N3O4/c1-28-22-7-3-2-6-20(22)26-13-11-25(12-14-26)10-4-5-15-29-18-8-9-21-19(16-18)24-23(27)17-30-21/h2-3,6-9,16H,4-5,10-15,17H2,1H3,(H,24,27)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.650n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
Serotonin, 5HT1A:Receptor Source: Human recombinant expressed in HEK-293 cellsRadioligand: [3H]-8-OH-DPAT (221 Ci/mmol)Control Compound: 8-OH-DPATInc...


J Med Chem 52: 2226-32 (2009)


BindingDB Entry DOI: 10.7270/Q2QZ2D9J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM312156
PNG
(6-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butoxy)-2H...)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C23H29N3O4/c1-28-22-7-3-2-6-20(22)26-13-11-25(12-14-26)10-4-5-15-29-18-8-9-21-19(16-18)24-23(27)17-30-21/h2-3,6-9,16H,4-5,10-15,17H2,1H3,(H,24,27)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.970n/an/an/an/an/an/a



Kochi Medical School



Assay Description
Serotonin, 5HT1A:Receptor Source: Human recombinant expressed in HEK-293 cellsRadioligand: [3H]-8-OH-DPAT (221 Ci/mmol)Control Compound: 8-OH-DPATInc...


J Med Chem 52: 2226-32 (2009)


BindingDB Entry DOI: 10.7270/Q2QZ2D9J
More data for this
Ligand-Target Pair