BDBM50048803 5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one::5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-6-chloro-1,3-dihydro-indol-2-one::5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-6-chloro-1,3-dihydro-indol-2-one (Ziprasidone)::5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-6-chloro-1,3-dihydro-indol-2-one(Norastemizole)::CHEMBL708::GEODON::ZIPRASIDONE::ZIPRASIDONE HYDROCHLORIDE

SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12

InChI Key InChIKey=MVWVFYHBGMAFLY-UHFFFAOYSA-N

Data  171 KI  17 IC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 188 hits for monomerid = 50048803   

Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  0.0800nMAssay Description:Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  0.120nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  0.25nMAssay Description:Binding affinity for human 5-hydroxytryptamine 2A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
H. Lundbeck A/S

Curated by PDSP Ki Database
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  0.25nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  0.280nMAssay Description:Binding assay using 5-HT2A, Dopamine D2, SERT, αA1, 5-HT2C and H1 Receptors.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  0.300nMAssay Description:Binding affinity towards human serotonin 5-hydroxytryptamine 2A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  0.300nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
H. Lundbeck A/S

Curated by PDSP Ki Database
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  0.310nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
H. Lundbeck A/S

Curated by PDSP Ki Database
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  0.310nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  0.390nMAssay Description:Binding affinity to human cloned 5HT2A receptorMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  0.5nMAssay Description:Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  0.5nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  0.550nMAssay Description:Binding affinity towards human 5-hydroxytryptamine 2C receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Rattus norvegicus (Rat))
H. Lundbeck A/S

Curated by PDSP Ki Database
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  0.550nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  0.631nMAssay Description:Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  0.720nMAssay Description:Binding affinity to human cloned 5HT2C receptorMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  0.800nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  0.800nMAssay Description:Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting methodMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  0.851nMAssay Description:Displacement of [3H]-methylspiperone from human D2 long receptor expressed in HEK293 cells measured after 1 hr by liquid scintillation counter methodMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  0.900nMAssay Description:Displacement of [3H] raclopride from human recombinant D2L receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  0.900nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  0.900nMAssay Description:Displacement of [3H]-methylspiperone from human D2 long receptor expressed in HEK293 cells measured after 1 hr by liquid scintillation counter methodMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1B(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  0.990nMMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  1.10nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  1.20nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H]mesulergine from 5HT2C receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  1.40nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
Solvay Pharma

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  1.60nMAssay Description:Displacement of [3H]LSD from 5HT2B receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Solvay Pharma

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  1.60nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  1.70nMAssay Description:Displacement of [3H]-ketanserin from human 5-HT2AR expressed in CHO-K1 cell membranes after 1.5 hrs by microbeta counting methodMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  1.90nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Solvay Pharma

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  1.90nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Solvay Pharma

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  2nMAssay Description:Displacement of [3H]-8-OH-DPAT from human 5-HT1AR expressed in HEK293 cell membranes after 1 hr by microbeta counting methodMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  2.10nMAssay Description:Displacement of [3H]-Raclopride from D2L receptor (unknown origin)More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  2.10nMAssay Description:Displacement of [3H]-raclopride from human D2R expressed in HEK293 cells after 1 hr by microbeta plate reader analysisMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Mayo Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  2.40nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Solvay Pharma

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  2.5nMAssay Description:Binding affinity to human cloned 5HT1A receptorMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Mayo Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  2.60nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  2.60nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
H. Lundbeck A/S

Curated by PDSP Ki Database
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  2.80nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
H. Lundbeck A/S

Curated by PDSP Ki Database
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  2.80nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  2.80nMAssay Description:Binding affinity towards human D2 dopamine receptor.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  3.10nMAssay Description:Binding affinity to human cloned dopamine D2 receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
H. Lundbeck A/S

Curated by PDSP Ki Database
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  3.30nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Solvay Pharma

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  4nMAssay Description:Displacement of [3H]8OHDPAT from human 5HT1A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  4.10nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  4.20nMMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Mayo Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  4.60nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  4.60nMMore data for this Ligand-Target Pair
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