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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 = 'BDBM50109056'   
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))
BDBM50109056
PNG
(5-{2-[4-(1H-Pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydr...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2ncccc12 |c:5|
Show InChI InChI=1S/C23H22N4O/c1-6-21-19(5-3-10-24-21)22(7-1)28-15-14-27-12-8-17(9-13-27)20-16-26-23-18(20)4-2-11-25-23/h1-8,10-11,16H,9,12-15H2,(H,25,26)
UniProtKB/SwissProt

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72n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 12: 307-10 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2G2M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50109056
PNG
(5-{2-[4-(1H-Pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydr...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2ncccc12 |c:5|
Show InChI InChI=1S/C23H22N4O/c1-6-21-19(5-3-10-24-21)22(7-1)28-15-14-27-12-8-17(9-13-27)20-16-26-23-18(20)4-2-11-25-23/h1-8,10-11,16H,9,12-15H2,(H,25,26)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 90n/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Human 5-hydroxytryptamine 1A receptor by the displacement of [3H]-8-OH-DPAT


Bioorg Med Chem Lett 12: 307-10 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2G2M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50109056
PNG
(5-{2-[4-(1H-Pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydr...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2ncccc12 |c:5|
Show InChI InChI=1S/C23H22N4O/c1-6-21-19(5-3-10-24-21)22(7-1)28-15-14-27-12-8-17(9-13-27)20-16-26-23-18(20)4-2-11-25-23/h1-8,10-11,16H,9,12-15H2,(H,25,26)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 181n/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of 5-hydroxytryptamine 1A receptor determined in vitro


Bioorg Med Chem Lett 12: 307-10 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2G2M
More data for this
Ligand-Target Pair