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BDBM50051563 4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]-benzenesulfonamide::CHEMBL81649::U-101387

SMILES: NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1

InChI Key: InChIKey=WNUQCGWXPNGORO-OAQYLSRUSA-N

Data: 14 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 14 hits for monomerid = 50051563   
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
Dopamine receptor


(RAT)
BDBM50051563
PNG
(4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 279: 1392-403 (1996)


BindingDB Entry DOI: 10.7270/Q2SQ8XX9
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50051563
PNG
(4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1
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10.1n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 279: 1392-403 (1996)


BindingDB Entry DOI: 10.7270/Q2SQ8XX9
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50051563
PNG
(4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1
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100n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-Spiperone towards Dopamine receptor D4 expressed in cultured cells or from rat whole brain.


J Med Chem 39: 2435-7 (1996)


Article DOI: 10.1021/jm960084f
BindingDB Entry DOI: 10.7270/Q2H1314Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50051563
PNG
(4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1
PDB

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1.64E+3n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 279: 1392-403 (1996)


BindingDB Entry DOI: 10.7270/Q2SQ8XX9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50051563
PNG
(4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1
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2.40E+3n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-8-OH-DPAT towards 5-hydroxytryptamine 1A receptor in cloned mammalian receptor expressed in cultured cells or from rat whole...


J Med Chem 39: 2435-7 (1996)


Article DOI: 10.1021/jm960084f
BindingDB Entry DOI: 10.7270/Q2H1314Z
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM50051563
PNG
(4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1
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2.60E+3n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 279: 1392-403 (1996)


BindingDB Entry DOI: 10.7270/Q2SQ8XX9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50051563
PNG
(4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1
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2.78E+3n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 279: 1392-403 (1996)


BindingDB Entry DOI: 10.7270/Q2SQ8XX9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50051563
PNG
(4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1
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2.90E+3n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-Spiperone towards Dopamine receptor D3 in cloned mammalian receptor expressed in cultured cells or from rat whole brain.


J Med Chem 39: 2435-7 (1996)


Article DOI: 10.1021/jm960084f
BindingDB Entry DOI: 10.7270/Q2H1314Z
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50051563
PNG
(4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1
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4.14E+3n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 279: 1392-403 (1996)


BindingDB Entry DOI: 10.7270/Q2SQ8XX9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50051563
PNG
(4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1
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5.15E+3n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 279: 1392-403 (1996)


BindingDB Entry DOI: 10.7270/Q2SQ8XX9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50051563
PNG
(4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1
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5.60E+3n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-U-86,170 towards Dopamine receptor D2 in cloned mammalian receptor expressed in cultured cells or from rat whole brain


J Med Chem 39: 2435-7 (1996)


Article DOI: 10.1021/jm960084f
BindingDB Entry DOI: 10.7270/Q2H1314Z
More data for this
Ligand-Target Pair
HRH1


(COW)
BDBM50051563
PNG
(4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1
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7.43E+3n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 279: 1392-403 (1996)


BindingDB Entry DOI: 10.7270/Q2SQ8XX9
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50051563
PNG
(4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1
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8.38E+3n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 279: 1392-403 (1996)


BindingDB Entry DOI: 10.7270/Q2SQ8XX9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50051563
PNG
(4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 279: 1392-403 (1996)


BindingDB Entry DOI: 10.7270/Q2SQ8XX9
More data for this
Ligand-Target Pair