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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50051960'   
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))
BDBM50051960
PNG
(CHEMBL554110 | [(1S,2R)-2-(5-Fluoro-2-methoxy-phen...)
Show SMILES CCCN(CCC)[C@H]1C[C@@H]1c1cc(F)ccc1OC
Show InChI InChI=1S/C16H24FNO/c1-4-8-18(9-5-2)15-11-13(15)14-10-12(17)6-7-16(14)19-3/h6-7,10,13,15H,4-5,8-9,11H2,1-3H3/t13-,15+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
60n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]-8-OH-DPAT as radioligand; range=39-87


J Med Chem 39: 1485-93 (1996)


Article DOI: 10.1021/jm9507136
BindingDB Entry DOI: 10.7270/Q2RR1ZWN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50051960
PNG
(CHEMBL554110 | [(1S,2R)-2-(5-Fluoro-2-methoxy-phen...)
Show SMILES CCCN(CCC)[C@H]1C[C@@H]1c1cc(F)ccc1OC
Show InChI InChI=1S/C16H24FNO/c1-4-8-18(9-5-2)15-11-13(15)14-10-12(17)6-7-16(14)19-3/h6-7,10,13,15H,4-5,8-9,11H2,1-3H3/t13-,15+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
140n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=89-280


J Med Chem 39: 1485-93 (1996)


Article DOI: 10.1021/jm9507136
BindingDB Entry DOI: 10.7270/Q2RR1ZWN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50051960
PNG
(CHEMBL554110 | [(1S,2R)-2-(5-Fluoro-2-methoxy-phen...)
Show SMILES CCCN(CCC)[C@H]1C[C@@H]1c1cc(F)ccc1OC
Show InChI InChI=1S/C16H24FNO/c1-4-8-18(9-5-2)15-11-13(15)14-10-12(17)6-7-16(14)19-3/h6-7,10,13,15H,4-5,8-9,11H2,1-3H3/t13-,15+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
199n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=174-224


J Med Chem 39: 1485-93 (1996)


Article DOI: 10.1021/jm9507136
BindingDB Entry DOI: 10.7270/Q2RR1ZWN
More data for this
Ligand-Target Pair