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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A (5-HT1A)' and Ligand = 'BDBM50138480'   
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 (5-HT1A)


(Homo sapiens (Human))
BDBM50138480
PNG
((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...)
Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccc3)Oc12 |THB:10:11:17.19.16:13.14|
Show InChI InChI=1S/C23H27NO4/c1-26-20-8-5-9-21-22(20)28-19(15-27-21)14-24-17-10-11-18(24)13-23(25,12-17)16-6-3-2-4-7-16/h2-9,17-19,25H,10-15H2,1H3/t17-,18+,19-,23+/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
1.5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50138480
PNG
((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...)
Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccc3)Oc12 |THB:10:11:17.19.16:13.14|
Show InChI InChI=1S/C23H27NO4/c1-26-20-8-5-9-21-22(20)28-19(15-27-21)14-24-17-10-11-18(24)13-23(25,12-17)16-6-3-2-4-7-16/h2-9,17-19,25H,10-15H2,1H3/t17-,18+,19-,23+/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 21n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against serotonin transport by HC5-5-HT transporter


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50138480
PNG
((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...)
Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccc3)Oc12 |THB:10:11:17.19.16:13.14|
Show InChI InChI=1S/C23H27NO4/c1-26-20-8-5-9-21-22(20)28-19(15-27-21)14-24-17-10-11-18(24)13-23(25,12-17)16-6-3-2-4-7-16/h2-9,17-19,25H,10-15H2,1H3/t17-,18+,19-,23+/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 25n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against serotonin transport by HC5-5-HT transporter


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair