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BDBM50231441 CHEMBL252031::N-(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-2,3-dihydro-1H-inden-1-yl)propionamide

SMILES: CCC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12

InChI Key: InChIKey=BNPYZAAZLNWAPS-UHFFFAOYNA-N

Data: 4 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 4 hits for monomerid = 50231441   
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 2A


(Homo sapiens (Human))
BDBM50231441
PNG
(CHEMBL252031 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES CCC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12
Show InChI InChI=1/C25H30N4OS/c1-2-24(30)26-22-10-8-19-17-18(7-9-20(19)22)11-12-28-13-15-29(16-14-28)25-21-5-3-4-6-23(21)31-27-25/h3-7,9,17,22H,2,8,10-16H2,1H3,(H,26,30)
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0.25n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50231441
PNG
(CHEMBL252031 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES CCC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12
Show InChI InChI=1/C25H30N4OS/c1-2-24(30)26-22-10-8-19-17-18(7-9-20(19)22)11-12-28-13-15-29(16-14-28)25-21-5-3-4-6-23(21)31-27-25/h3-7,9,17,22H,2,8,10-16H2,1H3,(H,26,30)
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PC sid
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Article
PubMed
0.450n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50231441
PNG
(CHEMBL252031 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES CCC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12
Show InChI InChI=1/C25H30N4OS/c1-2-24(30)26-22-10-8-19-17-18(7-9-20(19)22)11-12-28-13-15-29(16-14-28)25-21-5-3-4-6-23(21)31-27-25/h3-7,9,17,22H,2,8,10-16H2,1H3,(H,26,30)
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PubMed
2n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]8OHDPAT from human 5HT1A receptor


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50231441
PNG
(CHEMBL252031 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES CCC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12
Show InChI InChI=1/C25H30N4OS/c1-2-24(30)26-22-10-8-19-17-18(7-9-20(19)22)11-12-28-13-15-29(16-14-28)25-21-5-3-4-6-23(21)31-27-25/h3-7,9,17,22H,2,8,10-16H2,1H3,(H,26,30)
PDB
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Article
PubMed
184n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG channel expressed in HEK293 cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair