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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM433525'   
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))
BDBM433525
PNG
(US10562853, Compound 46)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C22H22ClF5N2O2/c23-18-12-15(4-5-19(18)24)20(31)30-9-6-21(25,7-10-30)14-29-8-11-32-17-3-1-2-16(13-17)22(26,27)28/h1-5,12-13,29H,6-11,14H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.275n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by Microbeta2 scintillation...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00814
BindingDB Entry DOI: 10.7270/Q24T6NZT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433525
PNG
(US10562853, Compound 46)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C22H22ClF5N2O2/c23-18-12-15(4-5-19(18)24)20(31)30-9-6-21(25,7-10-30)14-29-8-11-32-17-3-1-2-16(13-17)22(26,27)28/h1-5,12-13,29H,6-11,14H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.300n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...


US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433525
PNG
(US10562853, Compound 46)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C22H22ClF5N2O2/c23-18-12-15(4-5-19(18)24)20(31)30-9-6-21(25,7-10-30)14-29-8-11-32-17-3-1-2-16(13-17)22(26,27)28/h1-5,12-13,29H,6-11,14H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 724n/an/an/an/a


TBA

Assay Description
Biased agonist activity at Gal4-VP16 transcription factor linked human 5-HT1A receptor expressed in human U2OS cells assessed as induction of beta-ar...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00814
BindingDB Entry DOI: 10.7270/Q24T6NZT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433525
PNG
(US10562853, Compound 46)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C22H22ClF5N2O2/c23-18-12-15(4-5-19(18)24)20(31)30-9-6-21(25,7-10-30)14-29-8-11-32-17-3-1-2-16(13-17)22(26,27)28/h1-5,12-13,29H,6-11,14H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 275n/an/an/an/a


TBA

Assay Description
Biased agonist activity at human 5-HT1A receptor stably expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation after...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00814
BindingDB Entry DOI: 10.7270/Q24T6NZT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433525
PNG
(US10562853, Compound 46)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C22H22ClF5N2O2/c23-18-12-15(4-5-19(18)24)20(31)30-9-6-21(25,7-10-30)14-29-8-11-32-17-3-1-2-16(13-17)22(26,27)28/h1-5,12-13,29H,6-11,14H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 724n/an/an/an/a


TBA

Assay Description
Biased agonist activity at human 5-HT1A receptor stably expressed in CHO-K1 cells co-expressing Galpha16/GPCR assessed as increase in calcium mobiliz...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00814
BindingDB Entry DOI: 10.7270/Q24T6NZT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433525
PNG
(US10562853, Compound 46)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C22H22ClF5N2O2/c23-18-12-15(4-5-19(18)24)20(31)30-9-6-21(25,7-10-30)14-29-8-11-32-17-3-1-2-16(13-17)22(26,27)28/h1-5,12-13,29H,6-11,14H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 56n/an/an/an/a


TBA

Assay Description
Biased agonist activity at human 5-HT1A receptor stably expressed in CHO-K1 cells assessed as increase in ERK1/2 phosphorylation after 15 mins by Alp...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00814
BindingDB Entry DOI: 10.7270/Q24T6NZT
More data for this
Ligand-Target Pair