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BDBM50128366 2-{1-[(S)-2-Hydroxy-3-(1H-indol-4-yloxy)-propyl]-piperidin-4-yl}-benzo[b]thiophen-6-ol::CHEMBL55874

SMILES: O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccc(O)cc2s1

InChI Key: InChIKey=JKMUIVHVOCDFFS-IBGZPJMESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50128366   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50128366
PNG
(2-{1-[(S)-2-Hydroxy-3-(1H-indol-4-yloxy)-propyl]-p...)
Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccc(O)cc2s1
Show InChI InChI=1S/C24H26N2O3S/c27-18-5-4-17-12-23(30-24(17)13-18)16-7-10-26(11-8-16)14-19(28)15-29-22-3-1-2-21-20(22)6-9-25-21/h1-6,9,12-13,16,19,25,27-28H,7-8,10-11,14-15H2/t19-/m0/s1
PDB

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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
PubMed
 3.10n/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