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BDBM50123697 6-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-1-(2-hydroxy-phenyl)-hexan-1-one::CHEMBL160817

SMILES: Oc1ccccc1C(=O)CCCCCN1CCN(CC1)c1noc2ccccc12

InChI Key: InChIKey=BWXABDUNWUIBLQ-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50123697   
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))
BDBM50123697
PNG
(6-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-1-(2-hy...)
Show SMILES Oc1ccccc1C(=O)CCCCCN1CCN(CC1)c1noc2ccccc12
Show InChI InChI=1S/C23H27N3O3/c27-20(18-8-3-5-11-21(18)28)10-2-1-7-13-25-14-16-26(17-15-25)23-19-9-4-6-12-22(19)29-24-23/h3-6,8-9,11-12,28H,1-2,7,10,13-17H2
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PubMed
2.93n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity to the rat 5-hydroxytryptamine 7 receptor


J Med Chem 46: 646-9 (2003)


Article DOI: 10.1021/jm020994z
BindingDB Entry DOI: 10.7270/Q23T9GKN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50123697
PNG
(6-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-1-(2-hy...)
Show SMILES Oc1ccccc1C(=O)CCCCCN1CCN(CC1)c1noc2ccccc12
Show InChI InChI=1S/C23H27N3O3/c27-20(18-8-3-5-11-21(18)28)10-2-1-7-13-25-14-16-26(17-15-25)23-19-9-4-6-12-22(19)29-24-23/h3-6,8-9,11-12,28H,1-2,7,10,13-17H2
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7.97n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity of compound was tested for 5-hydroxytryptamine 2A receptor


J Med Chem 46: 646-9 (2003)


Article DOI: 10.1021/jm020994z
BindingDB Entry DOI: 10.7270/Q23T9GKN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50123697
PNG
(6-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-1-(2-hy...)
Show SMILES Oc1ccccc1C(=O)CCCCCN1CCN(CC1)c1noc2ccccc12
Show InChI InChI=1S/C23H27N3O3/c27-20(18-8-3-5-11-21(18)28)10-2-1-7-13-25-14-16-26(17-15-25)23-19-9-4-6-12-22(19)29-24-23/h3-6,8-9,11-12,28H,1-2,7,10,13-17H2
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61n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity of compound was tested for Sigma receptor type 1


J Med Chem 46: 646-9 (2003)


Article DOI: 10.1021/jm020994z
BindingDB Entry DOI: 10.7270/Q23T9GKN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50123697
PNG
(6-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-1-(2-hy...)
Show SMILES Oc1ccccc1C(=O)CCCCCN1CCN(CC1)c1noc2ccccc12
Show InChI InChI=1S/C23H27N3O3/c27-20(18-8-3-5-11-21(18)28)10-2-1-7-13-25-14-16-26(17-15-25)23-19-9-4-6-12-22(19)29-24-23/h3-6,8-9,11-12,28H,1-2,7,10,13-17H2
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182n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity of compound was tested for Sigma receptor type 2


J Med Chem 46: 646-9 (2003)


Article DOI: 10.1021/jm020994z
BindingDB Entry DOI: 10.7270/Q23T9GKN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50123697
PNG
(6-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-1-(2-hy...)
Show SMILES Oc1ccccc1C(=O)CCCCCN1CCN(CC1)c1noc2ccccc12
Show InChI InChI=1S/C23H27N3O3/c27-20(18-8-3-5-11-21(18)28)10-2-1-7-13-25-14-16-26(17-15-25)23-19-9-4-6-12-22(19)29-24-23/h3-6,8-9,11-12,28H,1-2,7,10,13-17H2
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PC sid
UniChem

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Article
PubMed
189n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity to the rat 5-hydroxytryptamine 1A receptor


J Med Chem 46: 646-9 (2003)


Article DOI: 10.1021/jm020994z
BindingDB Entry DOI: 10.7270/Q23T9GKN
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50123697
PNG
(6-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-1-(2-hy...)
Show SMILES Oc1ccccc1C(=O)CCCCCN1CCN(CC1)c1noc2ccccc12
Show InChI InChI=1S/C23H27N3O3/c27-20(18-8-3-5-11-21(18)28)10-2-1-7-13-25-14-16-26(17-15-25)23-19-9-4-6-12-22(19)29-24-23/h3-6,8-9,11-12,28H,1-2,7,10,13-17H2
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PubMed
246n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity of compound was tested for Dopamine receptor D2L


J Med Chem 46: 646-9 (2003)


Article DOI: 10.1021/jm020994z
BindingDB Entry DOI: 10.7270/Q23T9GKN
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50123697
PNG
(6-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-1-(2-hy...)
Show SMILES Oc1ccccc1C(=O)CCCCCN1CCN(CC1)c1noc2ccccc12
Show InChI InChI=1S/C23H27N3O3/c27-20(18-8-3-5-11-21(18)28)10-2-1-7-13-25-14-16-26(17-15-25)23-19-9-4-6-12-22(19)29-24-23/h3-6,8-9,11-12,28H,1-2,7,10,13-17H2
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PubMed
318n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity of compound was tested for Dopamine receptor D4


J Med Chem 46: 646-9 (2003)


Article DOI: 10.1021/jm020994z
BindingDB Entry DOI: 10.7270/Q23T9GKN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50123697
PNG
(6-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-1-(2-hy...)
Show SMILES Oc1ccccc1C(=O)CCCCCN1CCN(CC1)c1noc2ccccc12
Show InChI InChI=1S/C23H27N3O3/c27-20(18-8-3-5-11-21(18)28)10-2-1-7-13-25-14-16-26(17-15-25)23-19-9-4-6-12-22(19)29-24-23/h3-6,8-9,11-12,28H,1-2,7,10,13-17H2
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Article
PubMed
361n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity of compound was tested for Dopamine receptor D3


J Med Chem 46: 646-9 (2003)


Article DOI: 10.1021/jm020994z
BindingDB Entry DOI: 10.7270/Q23T9GKN
More data for this
Ligand-Target Pair