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BDBM319624 7-(2-(4-(2,3-dihydrobenzo[b]thiophen-4-yl)piperazin-1-yl)ethyl)quinolin-2(1H)-one::US10174011, Example 25

SMILES: O=c1ccc2ccc(CCN3CCN(CC3)c3cccc4SCCc34)cc2[nH]1

InChI Key: InChIKey=KXADBRPCRIFTTK-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 319624   
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 (5-HT1A)


(Homo sapiens (human))
BDBM319624
PNG
(7-(2-(4-(2,3-dihydrobenzo[b]thiophen-4-yl)piperazi...)
Show SMILES O=c1ccc2ccc(CCN3CCN(CC3)c3cccc4SCCc34)cc2[nH]1
Show InChI InChI=1S/C23H25N3OS/c27-23-7-6-18-5-4-17(16-20(18)24-23)8-10-25-11-13-26(14-12-25)21-2-1-3-22-19(21)9-15-28-22/h1-7,16H,8-15H2,(H,24,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.824n/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM319624
PNG
(7-(2-(4-(2,3-dihydrobenzo[b]thiophen-4-yl)piperazi...)
Show SMILES O=c1ccc2ccc(CCN3CCN(CC3)c3cccc4SCCc34)cc2[nH]1
Show InChI InChI=1S/C23H25N3OS/c27-23-7-6-18-5-4-17(16-20(18)24-23)8-10-25-11-13-26(14-12-25)21-2-1-3-22-19(21)9-15-28-22/h1-7,16H,8-15H2,(H,24,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 77.9n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT2A receptor antagonism activity test (The antagonism activity of test compounds on 5-HT2A receptor expressing human recombinant 5-HT2A recept...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM319624
PNG
(7-(2-(4-(2,3-dihydrobenzo[b]thiophen-4-yl)piperazi...)
Show SMILES O=c1ccc2ccc(CCN3CCN(CC3)c3cccc4SCCc34)cc2[nH]1
Show InChI InChI=1S/C23H25N3OS/c27-23-7-6-18-5-4-17(16-20(18)24-23)8-10-25-11-13-26(14-12-25)21-2-1-3-22-19(21)9-15-28-22/h1-7,16H,8-15H2,(H,24,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 85.1n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293...


US Patent US10174011 (2019)

More data for this
Ligand-Target Pair