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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 5A' and Ligand = 'BDBM50371996'   
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 5A


(RAT)
BDBM50371996
PNG
(CHEMBL541993)
Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8|
Show InChI InChI=1S/C11H12ClF2N3/c1-6-10-7(12)3-2-4-8(10)17-11(16-6)15-5-9(13)14/h2-4,6,9H,5H2,1H3,(H2,15,16,17)/t6-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.90n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to rat 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50371996
PNG
(CHEMBL541993)
Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8|
Show InChI InChI=1S/C11H12ClF2N3/c1-6-10-7(12)3-2-4-8(10)17-11(16-6)15-5-9(13)14/h2-4,6,9H,5H2,1H3,(H2,15,16,17)/t6-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.80n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair