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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 = 'BDBM312188'   
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))
BDBM312188
PNG
(6-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy)...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4OCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C22H25Cl2N3O3/c23-17-4-3-5-19(22(17)24)27-11-9-26(10-12-27)8-1-2-13-29-16-6-7-20-18(14-16)25-21(28)15-30-20/h3-7,14H,1-2,8-13,15H2,(H,25,28)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem
US Patent
1.5n/a 2.25n/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))
BDBM312188
PNG
(6-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy)...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4OCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C22H25Cl2N3O3/c23-17-4-3-5-19(22(17)24)27-11-9-26(10-12-27)8-1-2-13-29-16-6-7-20-18(14-16)25-21(28)15-30-20/h3-7,14H,1-2,8-13,15H2,(H,25,28)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
US Patent
1.5n/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))
BDBM312188
PNG
(6-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy)...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4OCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C22H25Cl2N3O3/c23-17-4-3-5-19(22(17)24)27-11-9-26(10-12-27)8-1-2-13-29-16-6-7-20-18(14-16)25-21(28)15-30-20/h3-7,14H,1-2,8-13,15H2,(H,25,28)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
1.5n/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))
BDBM312188
PNG
(6-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy)...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4OCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C22H25Cl2N3O3/c23-17-4-3-5-19(22(17)24)27-11-9-26(10-12-27)8-1-2-13-29-16-6-7-20-18(14-16)25-21(28)15-30-20/h3-7,14H,1-2,8-13,15H2,(H,25,28)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
US Patent
n/an/a 2.25n/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