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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50308013'   
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))
BDBM50308013
PNG
(1-(4-Hydroxyphenyl)-4-{[1-(4-chlorophenyl)-1H-1,2,...)
Show SMILES Oc1ccc(cc1)N1CCN(Cc2cn(nn2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C19H20ClN5O/c20-15-1-3-18(4-2-15)25-14-16(21-22-25)13-23-9-11-24(12-10-23)17-5-7-19(26)8-6-17/h1-8,14,26H,9-13H2
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.98E+3n/an/an/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in Wistar rat hippocampus homogenate


Bioorg Med Chem 18: 1925-35 (2010)


Article DOI: 10.1016/j.bmc.2010.01.040
BindingDB Entry DOI: 10.7270/Q2S75H99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50308013
PNG
(1-(4-Hydroxyphenyl)-4-{[1-(4-chlorophenyl)-1H-1,2,...)
Show SMILES Oc1ccc(cc1)N1CCN(Cc2cn(nn2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C19H20ClN5O/c20-15-1-3-18(4-2-15)25-14-16(21-22-25)13-23-9-11-24(12-10-23)17-5-7-19(26)8-6-17/h1-8,14,26H,9-13H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.00E+3n/an/an/an/an/an/an/an/a



Universidade Federal de Goi£s

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampal membrane


Bioorg Med Chem Lett 20: 2888-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.034
BindingDB Entry DOI: 10.7270/Q2DB8213
More data for this
Ligand-Target Pair