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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serotonin (5-HT) receptor' and Ligand = 'BDBM50041469'   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50041469
PNG
((R,S) 7-[(3-Iodo-allyl)-propyl-amino]-5,6,7,8-tetr...)
Show SMILES CCCN(C\C=C\I)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H22INO/c1-2-10-18(11-4-9-17)14-8-7-13-5-3-6-16(19)15(13)12-14/h3-6,9,14,19H,2,7-8,10-12H2,1H3/b9-4+
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.380n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]8-OH-PIPAT ligand to 5-hydroxytryptamine 1A receptor of rat hippocampal homogenates


J Med Chem 37: 1406-7 (1994)


BindingDB Entry DOI: 10.7270/Q29Z95JQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50041469
PNG
((R,S) 7-[(3-Iodo-allyl)-propyl-amino]-5,6,7,8-tetr...)
Show SMILES CCCN(C\C=C\I)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H22INO/c1-2-10-18(11-4-9-17)14-8-7-13-5-3-6-16(19)15(13)12-14/h3-6,9,14,19H,2,7-8,10-12H2,1H3/b9-4+
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.920n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in membrane homogenates of hippocampal tissue of rat br...


J Med Chem 36: 3161-5 (1993)


BindingDB Entry DOI: 10.7270/Q2JQ11N4
More data for this
Ligand-Target Pair