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2 similar compounds to monomer 50036889

Compile data set for download or QSAR
Wt: 451.6
BDBM50036900
Wt: 423.5
BDBM50036903

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50036900,50036903   
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


(Rattus norvegicus (rat))
BDBM50036900
PNG
(Benzo[d]isothiazole-3-carboxylic acid [4-(4-benzo[...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1nsc2ccccc12
Show InChI InChI=1S/C23H25N5OS2/c29-23(21-17-7-1-3-9-19(17)30-25-21)24-11-5-6-12-27-13-15-28(16-14-27)22-18-8-2-4-10-20(18)31-26-22/h1-4,7-10H,5-6,11-16H2,(H,24,29)
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n/an/a 201n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro affinity towards 5-hydroxytryptamine 2A receptor using [3H]-spiroperidol as radioligand in cortex


J Med Chem 37: 2308-14 (1994)


Article DOI: 10.1021/jm00041a009
BindingDB Entry DOI: 10.7270/Q2QF8RXV
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036900
PNG
(Benzo[d]isothiazole-3-carboxylic acid [4-(4-benzo[...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1nsc2ccccc12
Show InChI InChI=1S/C23H25N5OS2/c29-23(21-17-7-1-3-9-19(17)30-25-21)24-11-5-6-12-27-13-15-28(16-14-27)22-18-8-2-4-10-20(18)31-26-22/h1-4,7-10H,5-6,11-16H2,(H,24,29)
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n/an/a 18n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro affinity towards 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand in hippocampus


J Med Chem 37: 2308-14 (1994)


Article DOI: 10.1021/jm00041a009
BindingDB Entry DOI: 10.7270/Q2QF8RXV
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50036903
PNG
(Benzo[d]isothiazole-3-carboxylic acid [2-(4-benzo[...)
Show SMILES O=C(NCCN1CCN(CC1)c1nsc2ccccc12)c1nsc2ccccc12
Show InChI InChI=1S/C21H21N5OS2/c27-21(19-15-5-1-3-7-17(15)28-23-19)22-9-10-25-11-13-26(14-12-25)20-16-6-2-4-8-18(16)29-24-20/h1-8H,9-14H2,(H,22,27)
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n/an/a 169n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro affinity towards D2 receptor using [3H]-spiroperidol as radioligand in striatum


J Med Chem 37: 2308-14 (1994)


Article DOI: 10.1021/jm00041a009
BindingDB Entry DOI: 10.7270/Q2QF8RXV
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036903
PNG
(Benzo[d]isothiazole-3-carboxylic acid [2-(4-benzo[...)
Show SMILES O=C(NCCN1CCN(CC1)c1nsc2ccccc12)c1nsc2ccccc12
Show InChI InChI=1S/C21H21N5OS2/c27-21(19-15-5-1-3-7-17(15)28-23-19)22-9-10-25-11-13-26(14-12-25)20-16-6-2-4-8-18(16)29-24-20/h1-8H,9-14H2,(H,22,27)
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n/an/a 98n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its affinity towards 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand in hippocampus


J Med Chem 37: 2308-14 (1994)


Article DOI: 10.1021/jm00041a009
BindingDB Entry DOI: 10.7270/Q2QF8RXV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50036903
PNG
(Benzo[d]isothiazole-3-carboxylic acid [2-(4-benzo[...)
Show SMILES O=C(NCCN1CCN(CC1)c1nsc2ccccc12)c1nsc2ccccc12
Show InChI InChI=1S/C21H21N5OS2/c27-21(19-15-5-1-3-7-17(15)28-23-19)22-9-10-25-11-13-26(14-12-25)20-16-6-2-4-8-18(16)29-24-20/h1-8H,9-14H2,(H,22,27)
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n/an/a 475n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro affinity towards 5-hydroxytryptamine 2A receptor using [3H]-spiroperidol as radioligand in cortex


J Med Chem 37: 2308-14 (1994)


Article DOI: 10.1021/jm00041a009
BindingDB Entry DOI: 10.7270/Q2QF8RXV
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50036900
PNG
(Benzo[d]isothiazole-3-carboxylic acid [4-(4-benzo[...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1nsc2ccccc12
Show InChI InChI=1S/C23H25N5OS2/c29-23(21-17-7-1-3-9-19(17)30-25-21)24-11-5-6-12-27-13-15-28(16-14-27)22-18-8-2-4-10-20(18)31-26-22/h1-4,7-10H,5-6,11-16H2,(H,24,29)
PDB

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Article
PubMed
n/an/a 360n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro affinity towards D2 receptor using [3H]-spiroperidol as radioligand in striatum


J Med Chem 37: 2308-14 (1994)


Article DOI: 10.1021/jm00041a009
BindingDB Entry DOI: 10.7270/Q2QF8RXV
More data for this
Ligand-Target Pair