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BDBM50231445 CHEMBL251834::N-(6-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-2,3-dihydro-1H-inden-1-yl)isoxazole-5-carboxamide

SMILES: O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccno1

InChI Key: InChIKey=LHFRREYTABIJEO-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50231445   
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))
BDBM50231445
PNG
(CHEMBL251834 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccno1
Show InChI InChI=1S/C26H27N5O2S/c32-26(23-9-11-27-33-23)28-22-8-7-19-6-5-18(17-21(19)22)10-12-30-13-15-31(16-14-30)25-20-3-1-2-4-24(20)34-29-25/h1-6,9,11,17,22H,7-8,10,12-16H2,(H,28,32)
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PubMed
0.0800n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

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))
BDBM50231445
PNG
(CHEMBL251834 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccno1
Show InChI InChI=1S/C26H27N5O2S/c32-26(23-9-11-27-33-23)28-22-8-7-19-6-5-18(17-21(19)22)10-12-30-13-15-31(16-14-30)25-20-3-1-2-4-24(20)34-29-25/h1-6,9,11,17,22H,7-8,10,12-16H2,(H,28,32)
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PubMed
1.88n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50231445
PNG
(CHEMBL251834 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccno1
Show InChI InChI=1S/C26H27N5O2S/c32-26(23-9-11-27-33-23)28-22-8-7-19-6-5-18(17-21(19)22)10-12-30-13-15-31(16-14-30)25-20-3-1-2-4-24(20)34-29-25/h1-6,9,11,17,22H,7-8,10,12-16H2,(H,28,32)
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3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2L receptor expressed in CHO 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))
BDBM50231445
PNG
(CHEMBL251834 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccno1
Show InChI InChI=1S/C26H27N5O2S/c32-26(23-9-11-27-33-23)28-22-8-7-19-6-5-18(17-21(19)22)10-12-30-13-15-31(16-14-30)25-20-3-1-2-4-24(20)34-29-25/h1-6,9,11,17,22H,7-8,10,12-16H2,(H,28,32)
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6.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50231445
PNG
(CHEMBL251834 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccno1
Show InChI InChI=1S/C26H27N5O2S/c32-26(23-9-11-27-33-23)28-22-8-7-19-6-5-18(17-21(19)22)10-12-30-13-15-31(16-14-30)25-20-3-1-2-4-24(20)34-29-25/h1-6,9,11,17,22H,7-8,10,12-16H2,(H,28,32)
PDB
MMDB

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150n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

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