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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 = 'BDBM433524'   
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))
BDBM433524
PNG
(US10562853, Compound 45)
Show SMILES CN(C)c1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Show InChI InChI=1S/C23H28ClF2N3O2/c1-28(2)18-4-3-5-19(15-18)31-13-10-27-16-23(26)8-11-29(12-9-23)22(30)17-6-7-21(25)20(24)14-17/h3-7,14-15,27H,8-13,16H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.200n/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))
BDBM433524
PNG
(US10562853, Compound 45)
Show SMILES CN(C)c1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Show InChI InChI=1S/C23H28ClF2N3O2/c1-28(2)18-4-3-5-19(15-18)31-13-10-27-16-23(26)8-11-29(12-9-23)22(30)17-6-7-21(25)20(24)14-17/h3-7,14-15,27H,8-13,16H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.302n/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))
BDBM433524
PNG
(US10562853, Compound 45)
Show SMILES CN(C)c1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Show InChI InChI=1S/C23H28ClF2N3O2/c1-28(2)18-4-3-5-19(15-18)31-13-10-27-16-23(26)8-11-29(12-9-23)22(30)17-6-7-21(25)20(24)14-17/h3-7,14-15,27H,8-13,16H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 60n/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))
BDBM433524
PNG
(US10562853, Compound 45)
Show SMILES CN(C)c1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Show InChI InChI=1S/C23H28ClF2N3O2/c1-28(2)18-4-3-5-19(15-18)31-13-10-27-16-23(26)8-11-29(12-9-23)22(30)17-6-7-21(25)20(24)14-17/h3-7,14-15,27H,8-13,16H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 17n/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))
BDBM433524
PNG
(US10562853, Compound 45)
Show SMILES CN(C)c1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Show InChI InChI=1S/C23H28ClF2N3O2/c1-28(2)18-4-3-5-19(15-18)31-13-10-27-16-23(26)8-11-29(12-9-23)22(30)17-6-7-21(25)20(24)14-17/h3-7,14-15,27H,8-13,16H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 138n/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))
BDBM433524
PNG
(US10562853, Compound 45)
Show SMILES CN(C)c1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Show InChI InChI=1S/C23H28ClF2N3O2/c1-28(2)18-4-3-5-19(15-18)31-13-10-27-16-23(26)8-11-29(12-9-23)22(30)17-6-7-21(25)20(24)14-17/h3-7,14-15,27H,8-13,16H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6n/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