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BDBM50128384 (S)-1-[4-(6-Fluoro-benzo[b]thiophen-2-yl)-piperidin-1-yl]-3-(2-methyl-1H-indol-4-yloxy)-propan-2-ol::CHEMBL297742

SMILES: Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4ccc(F)cc4s3)cccc2[nH]1

InChI Key: InChIKey=BAWIIQXSRNFJHB-FQEVSTJZSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50128384   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50128384
PNG
((S)-1-[4-(6-Fluoro-benzo[b]thiophen-2-yl)-piperidi...)
Show SMILES Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4ccc(F)cc4s3)cccc2[nH]1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-11-21-22(27-16)3-2-4-23(21)30-15-20(29)14-28-9-7-17(8-10-28)24-12-18-5-6-19(26)13-25(18)31-24/h2-6,11-13,17,20,27,29H,7-10,14-15H2,1H3/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
11n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin [5-HT] reuptake site labeled with [3H]-paroxetine as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50128384
PNG
((S)-1-[4-(6-Fluoro-benzo[b]thiophen-2-yl)-piperidi...)
Show SMILES Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4ccc(F)cc4s3)cccc2[nH]1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-11-21-22(27-16)3-2-4-23(21)30-15-20(29)14-28-9-7-17(8-10-28)24-12-18-5-6-19(26)13-25(18)31-24/h2-6,11-13,17,20,27,29H,7-10,14-15H2,1H3/t20-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
15n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 1903-5 (2003)


BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair