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BDBM50029322 Butyl-{4-[4-(2-isopropoxy-phenyl)-piperazin-1-ylmethyl]-benzyl}-amine with malleic acid

SMILES: CCCCNCc1ccc(CN2CCN(CC2)c2ccccc2OC(C)C)cc1

InChI Key: InChIKey=KHNQSFSBOKQODI-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50029322   
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))
BDBM50029322
PNG
(Butyl-{4-[4-(2-isopropoxy-phenyl)-piperazin-1-ylme...)
Show SMILES CCCCNCc1ccc(CN2CCN(CC2)c2ccccc2OC(C)C)cc1
Show InChI InChI=1S/C25H37N3O/c1-4-5-14-26-19-22-10-12-23(13-11-22)20-27-15-17-28(18-16-27)24-8-6-7-9-25(24)29-21(2)3/h6-13,21,26H,4-5,14-20H2,1-3H3
KEGG

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
31n/an/an/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity against the 5-hydroxytryptamine receptor 1A using [3H]WB-4101.


J Med Chem 38: 4211-22 (1995)


Article DOI: 10.1021/jm00021a010
BindingDB Entry DOI: 10.7270/Q2C53MH2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50029322
PNG
(Butyl-{4-[4-(2-isopropoxy-phenyl)-piperazin-1-ylme...)
Show SMILES CCCCNCc1ccc(CN2CCN(CC2)c2ccccc2OC(C)C)cc1
Show InChI InChI=1S/C25H37N3O/c1-4-5-14-26-19-22-10-12-23(13-11-22)20-27-15-17-28(18-16-27)24-8-6-7-9-25(24)29-21(2)3/h6-13,21,26H,4-5,14-20H2,1-3H3
Reactome pathway
KEGG

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
32n/an/an/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity against the dopamine receptor D2 using [3H]spiperinone.


J Med Chem 38: 4211-22 (1995)


Article DOI: 10.1021/jm00021a010
BindingDB Entry DOI: 10.7270/Q2C53MH2
More data for this
Ligand-Target Pair