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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 = 'BDBM50135240'   
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


(Homo sapiens (Human))
BDBM50135240
PNG
((S)-1-[4-(4-Methoxy-benzo[b]thiophen-2-yl)-2,2-dim...)
Show SMILES COc1cccc2sc(cc12)C1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)C(C)(C)C1
Show InChI InChI=1S/C28H34N2O3S/c1-18-13-21-23(29-18)7-5-9-25(21)33-17-20(31)16-30-12-11-19(15-28(30,2)3)27-14-22-24(32-4)8-6-10-26(22)34-27/h5-10,13-14,19-20,29,31H,11-12,15-17H2,1-4H3/t19?,20-/m0/s1
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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Similars

PubMed
9.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in human using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 3939-42 (2003)


BindingDB Entry DOI: 10.7270/Q24T6HSX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50135240
PNG
((S)-1-[4-(4-Methoxy-benzo[b]thiophen-2-yl)-2,2-dim...)
Show SMILES COc1cccc2sc(cc12)C1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)C(C)(C)C1
Show InChI InChI=1S/C28H34N2O3S/c1-18-13-21-23(29-18)7-5-9-25(21)33-17-20(31)16-30-12-11-19(15-28(30,2)3)27-14-22-24(32-4)8-6-10-26(22)34-27/h5-10,13-14,19-20,29,31H,11-12,15-17H2,1-4H3/t19?,20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
9.42n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in human using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 3939-42 (2003)


BindingDB Entry DOI: 10.7270/Q24T6HSX
More data for this
Ligand-Target Pair