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BDBM50029249 CHEMBL542483::{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-3-yl}-piperidin-1-yl-methanone; hydrochloride

SMILES: CC(C)Oc1ccccc1N1CCN(Cc2cc(cs2)C(=O)N2CCCCC2)CC1

InChI Key: InChIKey=IDMGFFRFALKXDG-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50029249   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50029249
PNG
(CHEMBL542483 | {5-[4-(2-Isopropoxy-phenyl)-piperaz...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(cs2)C(=O)N2CCCCC2)CC1
Show InChI InChI=1S/C24H33N3O2S/c1-19(2)29-23-9-5-4-8-22(23)26-14-12-25(13-15-26)17-21-16-20(18-30-21)24(28)27-10-6-3-7-11-27/h4-5,8-9,16,18-19H,3,6-7,10-15,17H2,1-2H3
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against 5-hydroxytryptamine 1A receptor using [3H]WB-4101


J Med Chem 38: 4198-210 (1995)


Article DOI: 10.1021/jm00021a009
BindingDB Entry DOI: 10.7270/Q2GX4C61
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50029249
PNG
(CHEMBL542483 | {5-[4-(2-Isopropoxy-phenyl)-piperaz...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(cs2)C(=O)N2CCCCC2)CC1
Show InChI InChI=1S/C24H33N3O2S/c1-19(2)29-23-9-5-4-8-22(23)26-14-12-25(13-15-26)17-21-16-20(18-30-21)24(28)27-10-6-3-7-11-27/h4-5,8-9,16,18-19H,3,6-7,10-15,17H2,1-2H3
Reactome pathway
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
24n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Dopamine receptor D2 using [3H]spiperone


J Med Chem 38: 4198-210 (1995)


Article DOI: 10.1021/jm00021a009
BindingDB Entry DOI: 10.7270/Q2GX4C61
More data for this
Ligand-Target Pair