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BDBM85079 2-[4-[4-[(7-Chloro-2,3-dihydro-1,4-benzodioxin)-5-yl]-1-piperazinyl]butyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide::CHEMBL79261::DU-125530::DU125530

SMILES: Clc1cc2OCCOc2c(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1

InChI Key: InChIKey=LYXKFNHUJJDTIA-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 85079   
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
HTR1A


(pigeon)
BDBM85079
PNG
(2-[4-[4-[(7-Chloro-2,3-dihydro-1,4-benzodioxin)-5-...)
Show SMILES Clc1cc2OCCOc2c(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Show InChI InChI=1S/C23H26ClN3O5S/c24-17-15-19(22-20(16-17)31-13-14-32-22)26-11-9-25(10-12-26)7-3-4-8-27-23(28)18-5-1-2-6-21(18)33(27,29)30/h1-2,5-6,15-16H,3-4,7-14H2
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0.700n/an/an/an/an/an/an/an/a



CNS-Pharmacology

Curated by PDSP Ki Database




Eur J Pharmacol 325: 145-53 (1997)


Article DOI: 10.1016/s0014-2999(97)00131-3
BindingDB Entry DOI: 10.7270/Q2319TDM
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM85079
PNG
(2-[4-[4-[(7-Chloro-2,3-dihydro-1,4-benzodioxin)-5-...)
Show SMILES Clc1cc2OCCOc2c(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Show InChI InChI=1S/C23H26ClN3O5S/c24-17-15-19(22-20(16-17)31-13-14-32-22)26-11-9-25(10-12-26)7-3-4-8-27-23(28)18-5-1-2-6-21(18)33(27,29)30/h1-2,5-6,15-16H,3-4,7-14H2
KEGG

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0.708n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL




Bioorg Med Chem Lett 8: 2457-62 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6SQ1
More data for this
Ligand-Target Pair
DRD2


(pigeon)
BDBM85079
PNG
(2-[4-[4-[(7-Chloro-2,3-dihydro-1,4-benzodioxin)-5-...)
Show SMILES Clc1cc2OCCOc2c(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Show InChI InChI=1S/C23H26ClN3O5S/c24-17-15-19(22-20(16-17)31-13-14-32-22)26-11-9-25(10-12-26)7-3-4-8-27-23(28)18-5-1-2-6-21(18)33(27,29)30/h1-2,5-6,15-16H,3-4,7-14H2
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5.20n/an/an/an/an/an/an/an/a



CNS-Pharmacology

Curated by PDSP Ki Database




Eur J Pharmacol 325: 145-53 (1997)


Article DOI: 10.1016/s0014-2999(97)00131-3
BindingDB Entry DOI: 10.7270/Q2319TDM
More data for this
Ligand-Target Pair
adrenergic Alpha1


(pigeon)
BDBM85079
PNG
(2-[4-[4-[(7-Chloro-2,3-dihydro-1,4-benzodioxin)-5-...)
Show SMILES Clc1cc2OCCOc2c(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Show InChI InChI=1S/C23H26ClN3O5S/c24-17-15-19(22-20(16-17)31-13-14-32-22)26-11-9-25(10-12-26)7-3-4-8-27-23(28)18-5-1-2-6-21(18)33(27,29)30/h1-2,5-6,15-16H,3-4,7-14H2
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6.40n/an/an/an/an/an/an/an/a



CNS-Pharmacology

Curated by PDSP Ki Database




Eur J Pharmacol 325: 145-53 (1997)


Article DOI: 10.1016/s0014-2999(97)00131-3
BindingDB Entry DOI: 10.7270/Q2319TDM
More data for this
Ligand-Target Pair
DRD3


(pigeon)
BDBM85079
PNG
(2-[4-[4-[(7-Chloro-2,3-dihydro-1,4-benzodioxin)-5-...)
Show SMILES Clc1cc2OCCOc2c(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Show InChI InChI=1S/C23H26ClN3O5S/c24-17-15-19(22-20(16-17)31-13-14-32-22)26-11-9-25(10-12-26)7-3-4-8-27-23(28)18-5-1-2-6-21(18)33(27,29)30/h1-2,5-6,15-16H,3-4,7-14H2
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11n/an/an/an/an/an/an/an/a



CNS-Pharmacology

Curated by PDSP Ki Database




Eur J Pharmacol 325: 145-53 (1997)


Article DOI: 10.1016/s0014-2999(97)00131-3
BindingDB Entry DOI: 10.7270/Q2319TDM
More data for this
Ligand-Target Pair
HTR2A


(pigeon)
BDBM85079
PNG
(2-[4-[4-[(7-Chloro-2,3-dihydro-1,4-benzodioxin)-5-...)
Show SMILES Clc1cc2OCCOc2c(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Show InChI InChI=1S/C23H26ClN3O5S/c24-17-15-19(22-20(16-17)31-13-14-32-22)26-11-9-25(10-12-26)7-3-4-8-27-23(28)18-5-1-2-6-21(18)33(27,29)30/h1-2,5-6,15-16H,3-4,7-14H2
PDB

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240n/an/an/an/an/an/an/an/a



CNS-Pharmacology

Curated by PDSP Ki Database




Eur J Pharmacol 325: 145-53 (1997)


Article DOI: 10.1016/s0014-2999(97)00131-3
BindingDB Entry DOI: 10.7270/Q2319TDM
More data for this
Ligand-Target Pair
HTR2C


(pigeon)
BDBM85079
PNG
(2-[4-[4-[(7-Chloro-2,3-dihydro-1,4-benzodioxin)-5-...)
Show SMILES Clc1cc2OCCOc2c(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Show InChI InChI=1S/C23H26ClN3O5S/c24-17-15-19(22-20(16-17)31-13-14-32-22)26-11-9-25(10-12-26)7-3-4-8-27-23(28)18-5-1-2-6-21(18)33(27,29)30/h1-2,5-6,15-16H,3-4,7-14H2
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750n/an/an/an/an/an/an/an/a



CNS-Pharmacology

Curated by PDSP Ki Database




Eur J Pharmacol 325: 145-53 (1997)


Article DOI: 10.1016/s0014-2999(97)00131-3
BindingDB Entry DOI: 10.7270/Q2319TDM
More data for this
Ligand-Target Pair
HTR1B


(pigeon)
BDBM85079
PNG
(2-[4-[4-[(7-Chloro-2,3-dihydro-1,4-benzodioxin)-5-...)
Show SMILES Clc1cc2OCCOc2c(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Show InChI InChI=1S/C23H26ClN3O5S/c24-17-15-19(22-20(16-17)31-13-14-32-22)26-11-9-25(10-12-26)7-3-4-8-27-23(28)18-5-1-2-6-21(18)33(27,29)30/h1-2,5-6,15-16H,3-4,7-14H2
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890n/an/an/an/an/an/an/an/a



CNS-Pharmacology

Curated by PDSP Ki Database




Eur J Pharmacol 325: 145-53 (1997)


Article DOI: 10.1016/s0014-2999(97)00131-3
BindingDB Entry DOI: 10.7270/Q2319TDM
More data for this
Ligand-Target Pair
HTR3A


(pigeon)
BDBM85079
PNG
(2-[4-[4-[(7-Chloro-2,3-dihydro-1,4-benzodioxin)-5-...)
Show SMILES Clc1cc2OCCOc2c(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Show InChI InChI=1S/C23H26ClN3O5S/c24-17-15-19(22-20(16-17)31-13-14-32-22)26-11-9-25(10-12-26)7-3-4-8-27-23(28)18-5-1-2-6-21(18)33(27,29)30/h1-2,5-6,15-16H,3-4,7-14H2
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1.10E+3n/an/an/an/an/an/an/an/a



CNS-Pharmacology

Curated by PDSP Ki Database




Eur J Pharmacol 325: 145-53 (1997)


Article DOI: 10.1016/s0014-2999(97)00131-3
BindingDB Entry DOI: 10.7270/Q2319TDM
More data for this
Ligand-Target Pair
HTR1D


(pigeon)
BDBM85079
PNG
(2-[4-[4-[(7-Chloro-2,3-dihydro-1,4-benzodioxin)-5-...)
Show SMILES Clc1cc2OCCOc2c(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Show InChI InChI=1S/C23H26ClN3O5S/c24-17-15-19(22-20(16-17)31-13-14-32-22)26-11-9-25(10-12-26)7-3-4-8-27-23(28)18-5-1-2-6-21(18)33(27,29)30/h1-2,5-6,15-16H,3-4,7-14H2
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1.20E+3n/an/an/an/an/an/an/an/a



CNS-Pharmacology

Curated by PDSP Ki Database




Eur J Pharmacol 325: 145-53 (1997)


Article DOI: 10.1016/s0014-2999(97)00131-3
BindingDB Entry DOI: 10.7270/Q2319TDM
More data for this
Ligand-Target Pair