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BDBM21381 6-{4-[2-(propan-2-yl)phenyl]piperazin-1-yl}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide::Piperazinehexanamide derivative, 19

SMILES: CC(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1

InChI Key: InChIKey=CPWLTNLRAGBWKJ-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 21381   
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))
BDBM21381
PNG
(6-{4-[2-(propan-2-yl)phenyl]piperazin-1-yl}-N-(1,2...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C29H41N3O/c1-23(2)25-13-7-8-16-28(25)32-21-19-31(20-22-32)18-9-3-4-17-29(33)30-27-15-10-12-24-11-5-6-14-26(24)27/h5-8,11,13-14,16,23,27H,3-4,9-10,12,15,17-22H2,1-2H3,(H,30,33)
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UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10 -12.7n/an/an/an/an/a7.437



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21381
PNG
(6-{4-[2-(propan-2-yl)phenyl]piperazin-1-yl}-N-(1,2...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C29H41N3O/c1-23(2)25-13-7-8-16-28(25)32-21-19-31(20-22-32)18-9-3-4-17-29(33)30-27-15-10-12-24-11-5-6-14-26(24)27/h5-8,11,13-14,16,23,27H,3-4,9-10,12,15,17-22H2,1-2H3,(H,30,33)
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GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21381
PNG
(6-{4-[2-(propan-2-yl)phenyl]piperazin-1-yl}-N-(1,2...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C29H41N3O/c1-23(2)25-13-7-8-16-28(25)32-21-19-31(20-22-32)18-9-3-4-17-29(33)30-27-15-10-12-24-11-5-6-14-26(24)27/h5-8,11,13-14,16,23,27H,3-4,9-10,12,15,17-22H2,1-2H3,(H,30,33)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
167n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21381
PNG
(6-{4-[2-(propan-2-yl)phenyl]piperazin-1-yl}-N-(1,2...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C29H41N3O/c1-23(2)25-13-7-8-16-28(25)32-21-19-31(20-22-32)18-9-3-4-17-29(33)30-27-15-10-12-24-11-5-6-14-26(24)27/h5-8,11,13-14,16,23,27H,3-4,9-10,12,15,17-22H2,1-2H3,(H,30,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.82E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair